Default is to use a total of 8 processors: 8 via shared-memory 1 via Linda Entering Link 1 = C:\G09W\l1.exe PID= 7740. 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\endojmol2.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 -0.75578 -0.69165 -0.88996 C -0.7558 0.69175 -0.8899 C -2.58746 -0.00002 0.20753 O -1.79714 -1.14405 -0.08314 H -0.45059 -1.34614 -1.69491 H -0.45061 1.34633 -1.69477 H -3.49461 -0.00001 -0.4226 O -1.79718 1.14404 -0.08303 H -2.85575 -0.00008 1.26768 C 0.81361 0.70559 1.46681 C 1.10282 1.36638 0.28708 C 2.0827 0.77893 -0.70732 C 2.08278 -0.77874 -0.7074 C 1.10286 -1.36641 0.28684 C 0.81363 -0.70585 1.46669 H 0.3703 1.24513 2.29994 H 0.96394 2.44532 0.23858 H 1.8827 1.1719 -1.71324 H 1.88295 -1.17164 -1.71338 H 0.96408 -2.44536 0.23816 H 0.37036 -1.24555 2.29974 H 3.08774 1.14002 -0.44905 H 3.08783 -1.13974 -0.44903 Add virtual bond connecting atoms C11 and C2 Dist= 4.35D+00. Add virtual bond connecting atoms C14 and C1 Dist= 4.35D+00. Add virtual bond connecting atoms H18 and H6 Dist= 4.42D+00. Add virtual bond connecting atoms H19 and H5 Dist= 4.42D+00. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Initialization pass. ---------------------------- ! Initial Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.3834 calculate D2E/DX2 analytically ! ! R2 R(1,4) 1.3929 calculate D2E/DX2 analytically ! ! R3 R(1,5) 1.0814 calculate D2E/DX2 analytically ! ! R4 R(1,14) 2.301 calculate D2E/DX2 analytically ! ! R5 R(2,6) 1.0814 calculate D2E/DX2 analytically ! ! R6 R(2,8) 1.3929 calculate D2E/DX2 analytically ! ! R7 R(2,11) 2.3011 calculate D2E/DX2 analytically ! ! R8 R(3,4) 1.4205 calculate D2E/DX2 analytically ! ! R9 R(3,7) 1.1045 calculate D2E/DX2 analytically ! ! R10 R(3,8) 1.4205 calculate D2E/DX2 analytically ! ! R11 R(3,9) 1.0936 calculate D2E/DX2 analytically ! ! R12 R(5,19) 2.3401 calculate D2E/DX2 analytically ! ! R13 R(6,18) 2.3399 calculate D2E/DX2 analytically ! ! R14 R(10,11) 1.3828 calculate D2E/DX2 analytically ! ! R15 R(10,15) 1.4114 calculate D2E/DX2 analytically ! ! R16 R(10,16) 1.0871 calculate D2E/DX2 analytically ! ! R17 R(11,12) 1.5146 calculate D2E/DX2 analytically ! ! R18 R(11,17) 1.0889 calculate D2E/DX2 analytically ! ! R19 R(12,13) 1.5577 calculate D2E/DX2 analytically ! ! R20 R(12,18) 1.0983 calculate D2E/DX2 analytically ! ! R21 R(12,22) 1.0987 calculate D2E/DX2 analytically ! ! R22 R(13,14) 1.5146 calculate D2E/DX2 analytically ! ! R23 R(13,19) 1.0983 calculate D2E/DX2 analytically ! ! R24 R(13,23) 1.0987 calculate D2E/DX2 analytically ! ! R25 R(14,15) 1.3828 calculate D2E/DX2 analytically ! ! R26 R(14,20) 1.0889 calculate D2E/DX2 analytically ! ! R27 R(15,21) 1.0871 calculate D2E/DX2 analytically ! ! A1 A(2,1,4) 108.9508 calculate D2E/DX2 analytically ! ! A2 A(2,1,5) 127.2476 calculate D2E/DX2 analytically ! ! A3 A(2,1,14) 107.0518 calculate D2E/DX2 analytically ! ! A4 A(4,1,5) 116.4612 calculate D2E/DX2 analytically ! ! A5 A(4,1,14) 102.264 calculate D2E/DX2 analytically ! ! A6 A(5,1,14) 88.5816 calculate D2E/DX2 analytically ! ! A7 A(1,2,6) 127.2481 calculate D2E/DX2 analytically ! ! A8 A(1,2,8) 108.9511 calculate D2E/DX2 analytically ! ! A9 A(1,2,11) 107.0487 calculate D2E/DX2 analytically ! ! A10 A(6,2,8) 116.4618 calculate D2E/DX2 analytically ! ! A11 A(6,2,11) 88.5833 calculate D2E/DX2 analytically ! ! A12 A(8,2,11) 102.2626 calculate D2E/DX2 analytically ! ! A13 A(4,3,7) 109.8899 calculate D2E/DX2 analytically ! ! A14 A(4,3,8) 107.2922 calculate D2E/DX2 analytically ! ! A15 A(4,3,9) 109.5613 calculate D2E/DX2 analytically ! ! A16 A(7,3,8) 109.8897 calculate D2E/DX2 analytically ! ! A17 A(7,3,9) 110.5837 calculate D2E/DX2 analytically ! ! A18 A(8,3,9) 109.562 calculate D2E/DX2 analytically ! ! A19 A(1,4,3) 105.8375 calculate D2E/DX2 analytically ! ! A20 A(1,5,19) 104.0143 calculate D2E/DX2 analytically ! ! A21 A(2,6,18) 104.0151 calculate D2E/DX2 analytically ! ! A22 A(2,8,3) 105.8375 calculate D2E/DX2 analytically ! ! A23 A(11,10,15) 118.5416 calculate D2E/DX2 analytically ! ! A24 A(11,10,16) 120.1306 calculate D2E/DX2 analytically ! ! A25 A(15,10,16) 119.7619 calculate D2E/DX2 analytically ! ! A26 A(2,11,10) 97.3167 calculate D2E/DX2 analytically ! ! A27 A(2,11,12) 94.1885 calculate D2E/DX2 analytically ! ! A28 A(2,11,17) 99.4799 calculate D2E/DX2 analytically ! ! A29 A(10,11,12) 120.67 calculate D2E/DX2 analytically ! ! A30 A(10,11,17) 119.0002 calculate D2E/DX2 analytically ! ! A31 A(12,11,17) 115.9488 calculate D2E/DX2 analytically ! ! A32 A(11,12,13) 112.825 calculate D2E/DX2 analytically ! ! A33 A(11,12,18) 110.1643 calculate D2E/DX2 analytically ! ! A34 A(11,12,22) 108.059 calculate D2E/DX2 analytically ! ! A35 A(13,12,18) 110.9627 calculate D2E/DX2 analytically ! ! A36 A(13,12,22) 109.1847 calculate D2E/DX2 analytically ! ! A37 A(18,12,22) 105.3233 calculate D2E/DX2 analytically ! ! A38 A(12,13,14) 112.8257 calculate D2E/DX2 analytically ! ! A39 A(12,13,19) 110.963 calculate D2E/DX2 analytically ! ! A40 A(12,13,23) 109.1841 calculate D2E/DX2 analytically ! ! A41 A(14,13,19) 110.1651 calculate D2E/DX2 analytically ! ! A42 A(14,13,23) 108.0572 calculate D2E/DX2 analytically ! ! A43 A(19,13,23) 105.3239 calculate D2E/DX2 analytically ! ! A44 A(1,14,13) 94.1922 calculate D2E/DX2 analytically ! ! A45 A(1,14,15) 97.3159 calculate D2E/DX2 analytically ! ! A46 A(1,14,20) 99.4824 calculate D2E/DX2 analytically ! ! A47 A(13,14,15) 120.6685 calculate D2E/DX2 analytically ! ! A48 A(13,14,20) 115.948 calculate D2E/DX2 analytically ! ! A49 A(15,14,20) 119.0003 calculate D2E/DX2 analytically ! ! A50 A(10,15,14) 118.5407 calculate D2E/DX2 analytically ! ! A51 A(10,15,21) 119.7623 calculate D2E/DX2 analytically ! ! A52 A(14,15,21) 120.1313 calculate D2E/DX2 analytically ! ! A53 A(6,18,12) 101.5972 calculate D2E/DX2 analytically ! ! A54 A(5,19,13) 101.5881 calculate D2E/DX2 analytically ! ! D1 D(4,1,2,6) -148.5342 calculate D2E/DX2 analytically ! ! D2 D(4,1,2,8) 0.0004 calculate D2E/DX2 analytically ! ! D3 D(4,1,2,11) 109.8886 calculate D2E/DX2 analytically ! ! D4 D(5,1,2,6) -0.0026 calculate D2E/DX2 analytically ! ! D5 D(5,1,2,8) 148.532 calculate D2E/DX2 analytically ! ! D6 D(5,1,2,11) -101.5798 calculate D2E/DX2 analytically ! ! D7 D(14,1,2,6) 101.5747 calculate D2E/DX2 analytically ! ! D8 D(14,1,2,8) -109.8907 calculate D2E/DX2 analytically ! ! D9 D(14,1,2,11) -0.0026 calculate D2E/DX2 analytically ! ! D10 D(2,1,4,3) 10.7242 calculate D2E/DX2 analytically ! ! D11 D(5,1,4,3) -141.6188 calculate D2E/DX2 analytically ! ! D12 D(14,1,4,3) 123.7984 calculate D2E/DX2 analytically ! ! D13 D(2,1,5,19) 73.3632 calculate D2E/DX2 analytically ! ! D14 D(4,1,5,19) -140.1075 calculate D2E/DX2 analytically ! ! D15 D(14,1,5,19) -37.1033 calculate D2E/DX2 analytically ! ! D16 D(2,1,14,13) -64.5728 calculate D2E/DX2 analytically ! ! D17 D(2,1,14,15) 57.0986 calculate D2E/DX2 analytically ! ! D18 D(2,1,14,20) 178.2303 calculate D2E/DX2 analytically ! ! D19 D(4,1,14,13) -179.0478 calculate D2E/DX2 analytically ! ! D20 D(4,1,14,15) -57.3764 calculate D2E/DX2 analytically ! ! D21 D(4,1,14,20) 63.7553 calculate D2E/DX2 analytically ! ! D22 D(5,1,14,13) 64.16 calculate D2E/DX2 analytically ! ! D23 D(5,1,14,15) -174.1686 calculate D2E/DX2 analytically ! ! D24 D(5,1,14,20) -53.0368 calculate D2E/DX2 analytically ! ! D25 D(1,2,6,18) -73.361 calculate D2E/DX2 analytically ! ! D26 D(8,2,6,18) 140.1067 calculate D2E/DX2 analytically ! ! D27 D(11,2,6,18) 37.1032 calculate D2E/DX2 analytically ! ! D28 D(1,2,8,3) -10.7249 calculate D2E/DX2 analytically ! ! D29 D(6,2,8,3) 141.6206 calculate D2E/DX2 analytically ! ! D30 D(11,2,8,3) -123.7951 calculate D2E/DX2 analytically ! ! D31 D(1,2,11,10) -57.0933 calculate D2E/DX2 analytically ! ! D32 D(1,2,11,12) 64.579 calculate D2E/DX2 analytically ! ! D33 D(1,2,11,17) -178.2246 calculate D2E/DX2 analytically ! ! D34 D(6,2,11,10) 174.1732 calculate D2E/DX2 analytically ! ! D35 D(6,2,11,12) -64.1544 calculate D2E/DX2 analytically ! ! D36 D(6,2,11,17) 53.042 calculate D2E/DX2 analytically ! ! D37 D(8,2,11,10) 57.3802 calculate D2E/DX2 analytically ! ! D38 D(8,2,11,12) 179.0525 calculate D2E/DX2 analytically ! ! D39 D(8,2,11,17) -63.7511 calculate D2E/DX2 analytically ! ! D40 D(7,3,4,1) 102.1705 calculate D2E/DX2 analytically ! ! D41 D(8,3,4,1) -17.2722 calculate D2E/DX2 analytically ! ! D42 D(9,3,4,1) -136.1389 calculate D2E/DX2 analytically ! ! D43 D(4,3,8,2) 17.2724 calculate D2E/DX2 analytically ! ! D44 D(7,3,8,2) -102.1704 calculate D2E/DX2 analytically ! ! D45 D(9,3,8,2) 136.1387 calculate D2E/DX2 analytically ! ! D46 D(1,5,19,13) 19.5656 calculate D2E/DX2 analytically ! ! D47 D(2,6,18,12) -19.5671 calculate D2E/DX2 analytically ! ! D48 D(15,10,11,2) 66.0245 calculate D2E/DX2 analytically ! ! D49 D(15,10,11,12) -33.2846 calculate D2E/DX2 analytically ! ! D50 D(15,10,11,17) 171.1557 calculate D2E/DX2 analytically ! ! D51 D(16,10,11,2) -99.6773 calculate D2E/DX2 analytically ! ! D52 D(16,10,11,12) 161.0137 calculate D2E/DX2 analytically ! ! D53 D(16,10,11,17) 5.454 calculate D2E/DX2 analytically ! ! D54 D(11,10,15,14) -0.0001 calculate D2E/DX2 analytically ! ! D55 D(11,10,15,21) -165.7567 calculate D2E/DX2 analytically ! ! D56 D(16,10,15,14) 165.7556 calculate D2E/DX2 analytically ! ! D57 D(16,10,15,21) -0.0009 calculate D2E/DX2 analytically ! ! D58 D(2,11,12,13) -69.5283 calculate D2E/DX2 analytically ! ! D59 D(2,11,12,18) 55.0863 calculate D2E/DX2 analytically ! ! D60 D(2,11,12,22) 169.6587 calculate D2E/DX2 analytically ! ! D61 D(10,11,12,13) 31.5349 calculate D2E/DX2 analytically ! ! D62 D(10,11,12,18) 156.1495 calculate D2E/DX2 analytically ! ! D63 D(10,11,12,22) -89.2781 calculate D2E/DX2 analytically ! ! D64 D(17,11,12,13) -172.196 calculate D2E/DX2 analytically ! ! D65 D(17,11,12,18) -47.5813 calculate D2E/DX2 analytically ! ! D66 D(17,11,12,22) 66.9911 calculate D2E/DX2 analytically ! ! D67 D(11,12,13,14) 0.0056 calculate D2E/DX2 analytically ! ! D68 D(11,12,13,19) 124.1845 calculate D2E/DX2 analytically ! ! D69 D(11,12,13,23) -120.1608 calculate D2E/DX2 analytically ! ! D70 D(18,12,13,14) -124.1715 calculate D2E/DX2 analytically ! ! D71 D(18,12,13,19) 0.0074 calculate D2E/DX2 analytically ! ! D72 D(18,12,13,23) 115.6621 calculate D2E/DX2 analytically ! ! D73 D(22,12,13,14) 120.1744 calculate D2E/DX2 analytically ! ! D74 D(22,12,13,19) -115.6467 calculate D2E/DX2 analytically ! ! D75 D(22,12,13,23) 0.0079 calculate D2E/DX2 analytically ! ! D76 D(11,12,18,6) -35.51 calculate D2E/DX2 analytically ! ! D77 D(13,12,18,6) 90.1677 calculate D2E/DX2 analytically ! ! D78 D(22,12,18,6) -151.8074 calculate D2E/DX2 analytically ! ! D79 D(12,13,14,1) 69.5201 calculate D2E/DX2 analytically ! ! D80 D(12,13,14,15) -31.5441 calculate D2E/DX2 analytically ! ! D81 D(12,13,14,20) 172.1923 calculate D2E/DX2 analytically ! ! D82 D(19,13,14,1) -55.0959 calculate D2E/DX2 analytically ! ! D83 D(19,13,14,15) -156.1602 calculate D2E/DX2 analytically ! ! D84 D(19,13,14,20) 47.5762 calculate D2E/DX2 analytically ! ! D85 D(23,13,14,1) -169.6685 calculate D2E/DX2 analytically ! ! D86 D(23,13,14,15) 89.2672 calculate D2E/DX2 analytically ! ! D87 D(23,13,14,20) -66.9963 calculate D2E/DX2 analytically ! ! D88 D(12,13,19,5) -90.1661 calculate D2E/DX2 analytically ! ! D89 D(14,13,19,5) 35.5133 calculate D2E/DX2 analytically ! ! D90 D(23,13,19,5) 151.8093 calculate D2E/DX2 analytically ! ! D91 D(1,14,15,10) -66.025 calculate D2E/DX2 analytically ! ! D92 D(1,14,15,21) 99.6775 calculate D2E/DX2 analytically ! ! D93 D(13,14,15,10) 33.2877 calculate D2E/DX2 analytically ! ! D94 D(13,14,15,21) -161.0099 calculate D2E/DX2 analytically ! ! D95 D(20,14,15,10) -171.1587 calculate D2E/DX2 analytically ! ! D96 D(20,14,15,21) -5.4562 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 -0.755776 -0.691652 -0.889961 2 6 0 -0.755804 0.691753 -0.889901 3 6 0 -2.587463 -0.000023 0.207529 4 8 0 -1.797139 -1.144049 -0.083139 5 1 0 -0.450589 -1.346141 -1.694907 6 1 0 -0.450610 1.346332 -1.694770 7 1 0 -3.494608 -0.000006 -0.422603 8 8 0 -1.797179 1.144044 -0.083033 9 1 0 -2.855750 -0.000083 1.267679 10 6 0 0.813609 0.705587 1.466812 11 6 0 1.102815 1.366375 0.287077 12 6 0 2.082704 0.778925 -0.707316 13 6 0 2.082785 -0.778737 -0.707396 14 6 0 1.102863 -1.366407 0.286837 15 6 0 0.813634 -0.705847 1.466694 16 1 0 0.370299 1.245132 2.299942 17 1 0 0.963940 2.445321 0.238584 18 1 0 1.882702 1.171902 -1.713237 19 1 0 1.882954 -1.171636 -1.713381 20 1 0 0.964077 -2.445356 0.238159 21 1 0 0.370359 -1.245553 2.299737 22 1 0 3.087743 1.140021 -0.449050 23 1 0 3.087829 -1.139744 -0.449027 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.383405 0.000000 3 C 2.244529 2.244523 0.000000 4 O 1.392861 2.259516 1.420526 0.000000 5 H 1.081403 2.212285 3.161887 2.109937 0.000000 6 H 2.212289 1.081402 3.161891 3.257682 2.692473 7 H 2.863215 2.863205 1.104526 2.074963 3.563269 8 O 2.259520 1.392862 1.420516 2.288093 3.257678 9 H 3.089267 3.089266 1.093570 2.062529 4.046429 10 C 3.157471 2.831492 3.694722 3.555208 3.975456 11 C 3.012516 2.301056 3.935927 3.853443 3.701225 12 C 3.202019 2.845710 4.822257 4.374998 3.450915 13 C 2.845759 3.202068 4.822313 3.946766 2.777609 14 C 2.301019 3.012537 3.935963 2.931951 2.518121 15 C 2.831443 3.157525 3.694746 3.067595 3.464673 16 H 3.898033 3.427745 3.831052 4.010617 4.831912 17 H 3.751218 2.702961 4.311976 4.539894 4.484915 18 H 3.333494 2.805377 5.004511 4.643498 3.432947 19 H 2.805584 3.333674 5.004718 4.025113 2.340132 20 H 2.702966 3.751262 4.312079 3.069356 2.635583 21 H 3.427705 3.898101 3.831108 3.222801 4.079369 22 H 4.280428 3.894631 5.825698 5.404900 4.500328 23 H 3.894677 4.280452 5.825716 4.898653 3.757023 6 7 8 9 10 6 H 0.000000 7 H 3.563279 0.000000 8 O 2.109944 2.074951 0.000000 9 H 4.046435 1.806984 2.062528 0.000000 10 C 3.464737 4.756941 3.067650 3.741901 0.000000 11 C 2.518184 4.848396 2.931958 4.301049 1.382771 12 C 2.777534 5.638635 3.946712 5.375480 2.518494 13 C 3.450930 5.638691 4.375047 5.375533 2.922534 14 C 3.701216 4.848412 3.853493 4.301106 2.401909 15 C 3.975501 4.756953 3.555291 3.741936 1.411434 16 H 4.079443 4.888776 3.222848 3.608811 1.087078 17 H 2.635638 5.127908 3.069289 4.650706 2.134905 18 H 2.339896 5.652837 4.024906 5.719470 3.387200 19 H 3.433079 5.653052 4.643683 5.719665 3.844619 20 H 4.484914 5.127984 4.539988 4.650844 3.385361 21 H 4.831971 4.888813 4.010734 3.608894 2.167298 22 H 3.756904 6.680397 4.898617 6.290636 3.005153 23 H 4.500333 6.680432 5.404900 6.290631 3.499680 11 12 13 14 15 11 C 0.000000 12 C 1.514628 0.000000 13 C 2.559458 1.557662 0.000000 14 C 2.732782 2.559468 1.514629 0.000000 15 C 2.401921 2.922568 2.518477 1.382771 0.000000 16 H 2.145438 3.491888 4.009082 3.377777 2.167295 17 H 1.088927 2.218836 3.541362 3.814564 3.385366 18 H 2.155760 1.098321 2.203802 3.324373 3.844582 19 H 3.324447 2.203805 1.098320 2.155771 3.387223 20 H 3.814569 3.541361 2.218829 1.088927 2.134906 21 H 3.377789 4.009115 3.491872 2.145445 1.087077 22 H 2.129098 1.098724 2.181356 3.280771 3.499839 23 H 3.280665 2.181348 1.098724 2.129075 3.005032 16 17 18 19 20 16 H 0.000000 17 H 2.458060 0.000000 18 H 4.289328 2.505060 0.000000 19 H 4.922972 4.211547 2.343538 0.000000 20 H 4.268867 4.890677 4.211457 2.505036 0.000000 21 H 2.490685 4.268869 4.922929 4.289350 2.458075 22 H 3.866847 2.585960 1.746800 2.897207 4.223404 23 H 4.541964 4.223317 2.897286 1.746806 2.585956 21 22 23 21 H 0.000000 22 H 4.542133 0.000000 23 H 3.866722 2.279765 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 -0.755776 -0.691652 -0.889961 2 6 0 -0.755804 0.691753 -0.889901 3 6 0 -2.587463 -0.000023 0.207529 4 8 0 -1.797139 -1.144049 -0.083139 5 1 0 -0.450589 -1.346141 -1.694907 6 1 0 -0.450610 1.346332 -1.694770 7 1 0 -3.494608 -0.000006 -0.422603 8 8 0 -1.797179 1.144044 -0.083033 9 1 0 -2.855750 -0.000083 1.267679 10 6 0 0.813609 0.705587 1.466812 11 6 0 1.102815 1.366375 0.287077 12 6 0 2.082704 0.778925 -0.707316 13 6 0 2.082785 -0.778737 -0.707396 14 6 0 1.102863 -1.366407 0.286837 15 6 0 0.813634 -0.705847 1.466694 16 1 0 0.370299 1.245132 2.299942 17 1 0 0.963940 2.445321 0.238584 18 1 0 1.882702 1.171902 -1.713237 19 1 0 1.882954 -1.171636 -1.713381 20 1 0 0.964077 -2.445356 0.238159 21 1 0 0.370359 -1.245553 2.299737 22 1 0 3.087743 1.140021 -0.449050 23 1 0 3.087829 -1.139744 -0.449027 --------------------------------------------------------------------- Rotational constants (GHZ): 1.9534229 0.9990698 0.9274442 Standard basis: 6-31G(d) (6D, 7F) AO basis set (Overlap normalization): Atom C1 Shell 1 S 6 bf 1 - 1 -1.428209617444 -1.307032842778 -1.681782558949 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 -1.428209617444 -1.307032842778 -1.681782558949 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 -1.428209617444 -1.307032842778 -1.681782558949 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C1 Shell 4 D 1 bf 10 - 15 -1.428209617444 -1.307032842778 -1.681782558949 0.8000000000D+00 0.1000000000D+01 Atom C2 Shell 5 S 6 bf 16 - 16 -1.428262794886 1.307223738081 -1.681669175381 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 -1.428262794886 1.307223738081 -1.681669175381 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 -1.428262794886 1.307223738081 -1.681669175381 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C2 Shell 8 D 1 bf 25 - 30 -1.428262794886 1.307223738081 -1.681669175381 0.8000000000D+00 0.1000000000D+01 Atom C3 Shell 9 S 6 bf 31 - 31 -4.889596541152 -0.000043798234 0.392172974632 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 -4.889596541152 -0.000043798234 0.392172974632 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 -4.889596541152 -0.000043798234 0.392172974632 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C3 Shell 12 D 1 bf 40 - 45 -4.889596541152 -0.000043798234 0.392172974632 0.8000000000D+00 0.1000000000D+01 Atom O4 Shell 13 S 6 bf 46 - 46 -3.396100405669 -2.161939475680 -0.157109940962 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 -3.396100405669 -2.161939475680 -0.157109940962 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 -3.396100405669 -2.161939475680 -0.157109940962 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 Atom O4 Shell 16 D 1 bf 55 - 60 -3.396100405669 -2.161939475680 -0.157109940962 0.8000000000D+00 0.1000000000D+01 Atom H5 Shell 17 S 3 bf 61 - 61 -0.851489642704 -2.543837751280 -3.202910050711 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 -0.851489642704 -2.543837751280 -3.202910050711 0.1612777588D+00 0.1000000000D+01 Atom H6 Shell 19 S 3 bf 63 - 63 -0.851529842927 2.544198838905 -3.202651158231 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 -0.851529842927 2.544198838905 -3.202651158231 0.1612777588D+00 0.1000000000D+01 Atom H7 Shell 21 S 3 bf 65 - 65 -6.603852153972 -0.000011846731 -0.798603932936 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H7 Shell 22 S 1 bf 66 - 66 -6.603852153972 -0.000011846731 -0.798603932936 0.1612777588D+00 0.1000000000D+01 Atom O8 Shell 23 S 6 bf 67 - 67 -3.396176433195 2.161929660885 -0.156909629992 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 -3.396176433195 2.161929660885 -0.156909629992 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 -3.396176433195 2.161929660885 -0.156909629992 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 Atom O8 Shell 26 D 1 bf 76 - 81 -3.396176433195 2.161929660885 -0.156909629992 0.8000000000D+00 0.1000000000D+01 Atom H9 Shell 27 S 3 bf 82 - 82 -5.396585496154 -0.000157233215 2.395566134410 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 -5.396585496154 -0.000157233215 2.395566134410 0.1612777588D+00 0.1000000000D+01 Atom C10 Shell 29 S 6 bf 84 - 84 1.537497961853 1.333366510159 2.771872968430 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 1.537497961853 1.333366510159 2.771872968430 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 1.537497961853 1.333366510159 2.771872968430 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C10 Shell 32 D 1 bf 93 - 98 1.537497961853 1.333366510159 2.771872968430 0.8000000000D+00 0.1000000000D+01 Atom C11 Shell 33 S 6 bf 99 - 99 2.084017971210 2.582074917479 0.542496909050 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 2.084017971210 2.582074917479 0.542496909050 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 2.084017971210 2.582074917479 0.542496909050 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C11 Shell 36 D 1 bf 108 - 113 2.084017971210 2.582074917479 0.542496909050 0.8000000000D+00 0.1000000000D+01 Atom C12 Shell 37 S 6 bf 114 - 114 3.935739934414 1.471955488497 -1.336633529408 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 3.935739934414 1.471955488497 -1.336633529408 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 3.935739934414 1.471955488497 -1.336633529408 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C12 Shell 40 D 1 bf 123 - 128 3.935739934414 1.471955488497 -1.336633529408 0.8000000000D+00 0.1000000000D+01 Atom C13 Shell 41 S 6 bf 129 - 129 3.935893300734 -1.471599099090 -1.336784707499 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 3.935893300734 -1.471599099090 -1.336784707499 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 3.935893300734 -1.471599099090 -1.336784707499 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C13 Shell 44 D 1 bf 138 - 143 3.935893300734 -1.471599099090 -1.336784707499 0.8000000000D+00 0.1000000000D+01 Atom C14 Shell 45 S 6 bf 144 - 144 2.084109201764 -2.582134643392 0.542043374779 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 2.084109201764 -2.582134643392 0.542043374779 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 2.084109201764 -2.582134643392 0.542043374779 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C14 Shell 48 D 1 bf 153 - 158 2.084109201764 -2.582134643392 0.542043374779 0.8000000000D+00 0.1000000000D+01 Atom C15 Shell 49 S 6 bf 159 - 159 1.537545475488 -1.333857204479 2.771649980747 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 1.537545475488 -1.333857204479 2.771649980747 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 1.537545475488 -1.333857204479 2.771649980747 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C15 Shell 52 D 1 bf 168 - 173 1.537545475488 -1.333857204479 2.771649980747 0.8000000000D+00 0.1000000000D+01 Atom H16 Shell 53 S 3 bf 174 - 174 0.699763366488 2.352958711573 4.346260501521 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 0.699763366488 2.352958711573 4.346260501521 0.1612777588D+00 0.1000000000D+01 Atom H17 Shell 55 S 3 bf 176 - 176 1.821582047741 4.620987343038 0.450858419688 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 1.821582047741 4.620987343038 0.450858419688 0.1612777588D+00 0.1000000000D+01 Atom H18 Shell 57 S 3 bf 178 - 178 3.557790853076 2.214574356692 -3.237548730727 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 3.557790853076 2.214574356692 -3.237548730727 0.1612777588D+00 0.1000000000D+01 Atom H19 Shell 59 S 3 bf 180 - 180 3.558267513167 -2.214070645270 -3.237820851290 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 3.558267513167 -2.214070645270 -3.237820851290 0.1612777588D+00 0.1000000000D+01 Atom H20 Shell 61 S 3 bf 182 - 182 1.821841877450 -4.621052791339 0.450055286082 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 1.821841877450 -4.621052791339 0.450055286082 0.1612777588D+00 0.1000000000D+01 Atom H21 Shell 63 S 3 bf 184 - 184 0.699877227360 -2.353753821702 4.345873107664 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 0.699877227360 -2.353753821702 4.345873107664 0.1612777588D+00 0.1000000000D+01 Atom H22 Shell 65 S 3 bf 186 - 186 5.834988328084 2.154328228779 -0.848581519972 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 5.834988328084 2.154328228779 -0.848581519972 0.1612777588D+00 0.1000000000D+01 Atom H23 Shell 67 S 3 bf 188 - 188 5.835151281416 -2.153803268543 -0.848538056271 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 5.835151281416 -2.153803268543 -0.848538056271 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 649.1475919527 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= 1.09D-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) = -500.490586539 A.U. after 15 cycles NFock= 15 Conv=0.40D-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= 1.47D-01 2.10D-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= 3.60D-02 5.32D-02. 66 vectors produced by pass 2 Test12= 8.43D-15 1.39D-09 XBig12= 2.40D-04 2.35D-03. 66 vectors produced by pass 3 Test12= 8.43D-15 1.39D-09 XBig12= 1.21D-06 1.23D-04. 66 vectors produced by pass 4 Test12= 8.43D-15 1.39D-09 XBig12= 2.06D-09 5.62D-06. 48 vectors produced by pass 5 Test12= 8.43D-15 1.39D-09 XBig12= 1.85D-12 1.53D-07. 4 vectors produced by pass 6 Test12= 8.43D-15 1.39D-09 XBig12= 1.36D-15 3.64D-09. InvSVY: IOpt=1 It= 1 EMax= 8.33D-16 Solved reduced A of dimension 382 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 -- -19.16815 -19.16814 -10.28602 -10.23738 -10.23677 Alpha occ. eigenvalues -- -10.18578 -10.18561 -10.18500 -10.18498 -10.16918 Alpha occ. eigenvalues -- -10.16869 -1.10211 -1.00641 -0.83058 -0.76110 Alpha occ. eigenvalues -- -0.73599 -0.72996 -0.64146 -0.60785 -0.60674 Alpha occ. eigenvalues -- -0.58530 -0.52881 -0.50067 -0.49469 -0.47084 Alpha occ. eigenvalues -- -0.45309 -0.45144 -0.43988 -0.40847 -0.39752 Alpha occ. eigenvalues -- -0.38848 -0.37953 -0.36268 -0.35121 -0.34583 Alpha occ. eigenvalues -- -0.32850 -0.32252 -0.31725 -0.27465 -0.19648 Alpha occ. eigenvalues -- -0.19052 Alpha virt. eigenvalues -- -0.00462 0.01543 0.08100 0.10931 0.11268 Alpha virt. eigenvalues -- 0.11965 0.13058 0.13383 0.14567 0.15450 Alpha virt. eigenvalues -- 0.16965 0.17165 0.17519 0.18002 0.19723 Alpha virt. eigenvalues -- 0.20300 0.21251 0.24290 0.24319 0.24789 Alpha virt. eigenvalues -- 0.30577 0.31743 0.32867 0.37584 0.43553 Alpha virt. eigenvalues -- 0.47078 0.48268 0.48732 0.50574 0.53041 Alpha virt. eigenvalues -- 0.53410 0.54682 0.57017 0.57365 0.58250 Alpha virt. eigenvalues -- 0.58292 0.60597 0.62645 0.64668 0.65172 Alpha virt. eigenvalues -- 0.68028 0.69177 0.72548 0.73815 0.74710 Alpha virt. eigenvalues -- 0.76306 0.80486 0.81303 0.82474 0.83568 Alpha virt. eigenvalues -- 0.84782 0.84912 0.85912 0.86660 0.88230 Alpha virt. eigenvalues -- 0.88805 0.89108 0.89725 0.90402 0.91950 Alpha virt. eigenvalues -- 0.95055 0.96227 0.97337 0.98560 1.01135 Alpha virt. eigenvalues -- 1.05344 1.07612 1.12043 1.12968 1.14032 Alpha virt. eigenvalues -- 1.14811 1.19961 1.20298 1.25152 1.28997 Alpha virt. eigenvalues -- 1.31432 1.32933 1.39992 1.41503 1.44140 Alpha virt. eigenvalues -- 1.46298 1.48673 1.53314 1.56387 1.58414 Alpha virt. eigenvalues -- 1.62900 1.64403 1.67985 1.73243 1.74684 Alpha virt. eigenvalues -- 1.75980 1.79216 1.85800 1.87089 1.89382 Alpha virt. eigenvalues -- 1.89864 1.94417 1.96128 1.96313 1.98887 Alpha virt. eigenvalues -- 2.01317 2.01546 2.02324 2.05926 2.07782 Alpha virt. eigenvalues -- 2.09881 2.11357 2.18123 2.18372 2.23785 Alpha virt. eigenvalues -- 2.26190 2.27823 2.27963 2.31629 2.31862 Alpha virt. eigenvalues -- 2.37240 2.41459 2.44860 2.45989 2.46406 Alpha virt. eigenvalues -- 2.48233 2.51089 2.55040 2.59078 2.63366 Alpha virt. eigenvalues -- 2.64875 2.67413 2.69191 2.70151 2.75476 Alpha virt. eigenvalues -- 2.76759 2.80346 2.88868 2.89675 2.94340 Alpha virt. eigenvalues -- 3.13276 3.13758 4.01188 4.12432 4.12773 Alpha virt. eigenvalues -- 4.22312 4.28836 4.36076 4.37991 4.44863 Alpha virt. eigenvalues -- 4.50900 4.60326 4.87096 Molecular Orbital Coefficients: 1 2 3 4 5 O O O O O Eigenvalues -- -19.16815 -19.16814 -10.28602 -10.23738 -10.23677 1 1 C 1S -0.00001 0.00000 -0.00012 0.70218 -0.70222 2 2S -0.00012 0.00027 -0.00037 0.03461 -0.03561 3 2PX 0.00019 -0.00017 -0.00006 -0.00042 0.00032 4 2PY 0.00007 -0.00014 -0.00013 -0.00028 -0.00007 5 2PZ -0.00016 0.00016 0.00003 0.00052 -0.00061 6 3S 0.00144 -0.00152 0.00100 -0.00727 0.01891 7 3PX -0.00101 0.00051 -0.00084 -0.00005 0.00001 8 3PY -0.00040 0.00055 0.00051 0.00055 0.00447 9 3PZ 0.00091 -0.00050 0.00071 -0.00060 0.00249 10 4XX -0.00008 0.00006 0.00012 -0.00638 0.00611 11 4YY -0.00014 0.00001 -0.00003 -0.00643 0.00590 12 4ZZ -0.00006 0.00001 -0.00006 -0.00635 0.00607 13 4XY -0.00002 0.00007 -0.00004 0.00009 0.00004 14 4XZ 0.00005 -0.00005 -0.00017 -0.00020 0.00020 15 4YZ 0.00002 -0.00007 -0.00001 0.00008 -0.00001 16 2 C 1S 0.00001 0.00000 -0.00012 0.70188 0.70252 17 2S 0.00019 0.00023 -0.00037 0.03459 0.03563 18 2PX -0.00023 -0.00011 -0.00006 -0.00042 -0.00032 19 2PY 0.00010 0.00011 0.00013 0.00028 -0.00007 20 2PZ 0.00019 0.00011 0.00003 0.00052 0.00061 21 3S -0.00179 -0.00108 0.00100 -0.00727 -0.01891 22 3PX 0.00111 0.00022 -0.00084 -0.00005 -0.00002 23 3PY -0.00053 -0.00042 -0.00051 -0.00055 0.00447 24 3PZ -0.00101 -0.00023 0.00071 -0.00060 -0.00249 25 4XX 0.00009 0.00004 0.00012 -0.00638 -0.00611 26 4YY 0.00014 -0.00003 -0.00003 -0.00643 -0.00590 27 4ZZ 0.00006 -0.00001 -0.00006 -0.00634 -0.00607 28 4XY -0.00004 -0.00006 0.00004 -0.00009 0.00004 29 4XZ -0.00006 -0.00003 -0.00017 -0.00020 -0.00020 30 4YZ 0.00004 0.00007 0.00001 -0.00008 -0.00001 31 3 C 1S 0.00000 0.00002 0.99303 0.00002 0.00000 32 2S 0.00005 0.00036 0.04865 -0.00053 0.00000 33 2PX 0.00004 0.00027 0.00093 0.00014 0.00000 34 2PY 0.00043 -0.00006 0.00000 0.00000 -0.00006 35 2PZ -0.00001 -0.00007 -0.00040 -0.00001 0.00000 36 3S -0.00037 -0.00274 -0.01346 0.00269 0.00000 37 3PX -0.00011 -0.00081 -0.00021 0.00125 0.00000 38 3PY -0.00117 0.00016 0.00000 0.00000 -0.00003 39 3PZ 0.00001 0.00011 0.00041 -0.00115 0.00000 40 4XX 0.00002 0.00015 -0.00874 0.00018 0.00000 41 4YY 0.00005 0.00037 -0.00875 0.00004 0.00000 42 4ZZ 0.00000 0.00003 -0.00880 -0.00009 0.00000 43 4XY 0.00019 -0.00003 0.00000 0.00000 0.00004 44 4XZ -0.00001 -0.00006 -0.00006 -0.00017 0.00000 45 4YZ -0.00006 0.00001 0.00000 0.00000 -0.00006 46 4 O 1S -0.60067 0.79036 -0.00006 -0.00003 0.00013 47 2S -0.01552 0.02055 0.00005 0.00011 0.00031 48 2PX -0.00009 0.00009 0.00010 -0.00010 0.00007 49 2PY -0.00055 0.00068 0.00000 0.00004 0.00003 50 2PZ 0.00019 -0.00025 -0.00005 0.00003 -0.00003 51 3S -0.00817 0.01032 0.00094 -0.00008 -0.00324 52 3PX -0.00023 0.00020 -0.00058 0.00043 -0.00052 53 3PY -0.00016 0.00036 -0.00045 -0.00072 -0.00023 54 3PZ 0.00019 -0.00011 0.00039 0.00015 0.00001 55 4XX 0.00498 -0.00654 -0.00014 -0.00015 0.00034 56 4YY 0.00499 -0.00662 -0.00049 -0.00001 0.00036 57 4ZZ 0.00500 -0.00650 0.00005 -0.00005 0.00033 58 4XY -0.00002 0.00002 0.00025 -0.00004 0.00016 59 4XZ -0.00001 0.00003 0.00017 0.00030 -0.00037 60 4YZ 0.00000 0.00001 -0.00004 0.00014 -0.00014 61 5 H 1S 0.00000 0.00011 0.00006 -0.00027 0.00008 62 2S 0.00008 0.00006 0.00031 0.00163 -0.00089 63 6 H 1S 0.00003 0.00011 0.00006 -0.00027 -0.00008 64 2S -0.00006 0.00008 0.00031 0.00163 0.00089 65 7 H 1S 0.00002 0.00013 -0.00010 -0.00021 0.00000 66 2S 0.00000 -0.00002 0.00276 -0.00014 0.00000 67 8 O 1S 0.79035 0.60068 -0.00006 -0.00003 -0.00013 68 2S 0.02045 0.01564 0.00005 0.00011 -0.00031 69 2PX 0.00011 0.00007 0.00010 -0.00010 -0.00007 70 2PY -0.00071 -0.00051 0.00000 -0.00004 0.00003 71 2PZ -0.00025 -0.00019 -0.00005 0.00003 0.00003 72 3S 0.01063 0.00775 0.00094 -0.00008 0.00324 73 3PX 0.00028 0.00013 -0.00058 0.00043 0.00052 74 3PY -0.00025 -0.00030 0.00045 0.00072 -0.00023 75 3PZ -0.00021 -0.00005 0.00039 0.00015 -0.00001 76 4XX -0.00655 -0.00497 -0.00014 -0.00015 -0.00034 77 4YY -0.00658 -0.00504 -0.00049 -0.00001 -0.00036 78 4ZZ -0.00656 -0.00492 0.00005 -0.00005 -0.00033 79 4XY -0.00003 -0.00001 -0.00025 0.00004 0.00016 80 4XZ 0.00001 0.00003 0.00017 0.00030 0.00037 81 4YZ -0.00001 -0.00001 0.00004 -0.00014 -0.00014 82 9 H 1S 0.00002 0.00017 -0.00017 -0.00001 0.00000 83 2S 0.00002 0.00014 0.00248 0.00023 0.00000 84 10 C 1S 0.00003 0.00001 -0.00001 -0.00016 -0.00014 85 2S 0.00008 0.00000 -0.00003 -0.00021 -0.00032 86 2PX -0.00006 -0.00004 0.00004 0.00009 0.00005 87 2PY 0.00001 0.00001 0.00001 0.00005 -0.00003 88 2PZ -0.00002 -0.00002 -0.00004 0.00014 0.00014 89 3S -0.00097 0.00004 0.00056 0.00021 0.00042 90 3PX 0.00010 0.00001 -0.00004 -0.00015 -0.00041 91 3PY 0.00029 -0.00001 0.00012 -0.00018 -0.00110 92 3PZ 0.00033 0.00005 -0.00013 -0.00010 0.00054 93 4XX 0.00008 0.00003 -0.00003 -0.00015 -0.00015 94 4YY 0.00005 0.00003 -0.00001 -0.00013 -0.00013 95 4ZZ 0.00003 0.00002 0.00000 -0.00014 -0.00013 96 4XY -0.00001 0.00001 -0.00001 0.00004 0.00008 97 4XZ 0.00001 0.00001 -0.00002 0.00003 0.00002 98 4YZ -0.00001 0.00000 0.00000 -0.00004 0.00001 99 11 C 1S -0.00001 -0.00001 0.00003 -0.00009 -0.00025 100 2S -0.00011 -0.00008 0.00008 -0.00040 -0.00093 101 2PX -0.00003 -0.00004 -0.00004 0.00006 0.00005 102 2PY 0.00000 0.00001 -0.00004 0.00007 0.00013 103 2PZ 0.00002 0.00002 0.00002 -0.00002 -0.00005 104 3S 0.00094 0.00043 -0.00054 0.00143 0.00418 105 3PX 0.00006 0.00014 0.00018 -0.00077 -0.00116 106 3PY -0.00040 -0.00015 0.00038 -0.00028 -0.00133 107 3PZ -0.00019 -0.00026 -0.00029 -0.00005 0.00027 108 4XX 0.00003 0.00001 0.00004 -0.00002 -0.00012 109 4YY 0.00000 -0.00001 0.00003 -0.00018 -0.00028 110 4ZZ 0.00000 0.00000 0.00002 -0.00010 -0.00022 111 4XY -0.00001 -0.00001 -0.00002 0.00008 0.00014 112 4XZ -0.00001 0.00000 0.00002 0.00008 0.00009 113 4YZ 0.00001 0.00002 0.00002 0.00000 0.00001 114 12 C 1S 0.00002 0.00001 -0.00002 -0.00007 -0.00005 115 2S 0.00012 0.00006 -0.00005 -0.00009 -0.00007 116 2PX -0.00001 0.00001 0.00004 0.00013 0.00014 117 2PY 0.00000 -0.00002 0.00004 0.00003 -0.00001 118 2PZ -0.00002 -0.00001 0.00000 0.00005 -0.00002 119 3S -0.00089 -0.00037 0.00003 0.00021 -0.00052 120 3PX 0.00045 0.00014 -0.00022 -0.00031 -0.00031 121 3PY 0.00014 -0.00009 -0.00017 0.00004 0.00019 122 3PZ -0.00014 -0.00010 0.00006 -0.00029 -0.00052 123 4XX 0.00001 0.00000 -0.00002 -0.00005 -0.00006 124 4YY 0.00002 0.00002 -0.00003 -0.00005 -0.00005 125 4ZZ 0.00002 0.00001 -0.00002 -0.00003 -0.00003 126 4XY 0.00000 0.00001 0.00000 -0.00003 0.00001 127 4XZ 0.00002 0.00002 -0.00002 0.00002 0.00001 128 4YZ 0.00000 0.00000 -0.00001 0.00002 0.00005 129 13 C 1S -0.00002 0.00002 -0.00002 -0.00007 0.00005 130 2S -0.00010 0.00009 -0.00005 -0.00009 0.00007 131 2PX 0.00002 0.00000 0.00004 0.00013 -0.00014 132 2PY 0.00000 0.00002 -0.00004 -0.00003 -0.00001 133 2PZ 0.00001 -0.00002 0.00000 0.00005 0.00002 134 3S 0.00076 -0.00059 0.00003 0.00021 0.00052 135 3PX -0.00040 0.00025 -0.00022 -0.00031 0.00031 136 3PY 0.00016 0.00005 0.00017 -0.00004 0.00019 137 3PZ 0.00011 -0.00013 0.00006 -0.00029 0.00052 138 4XX -0.00001 0.00000 -0.00002 -0.00005 0.00006 139 4YY -0.00001 0.00002 -0.00003 -0.00005 0.00004 140 4ZZ -0.00001 0.00001 -0.00002 -0.00003 0.00003 141 4XY 0.00000 -0.00001 0.00000 0.00003 0.00001 142 4XZ -0.00002 0.00002 -0.00002 0.00002 -0.00001 143 4YZ 0.00000 0.00000 0.00001 -0.00002 0.00005 144 14 C 1S 0.00001 -0.00001 0.00003 -0.00009 0.00025 145 2S 0.00009 -0.00010 0.00008 -0.00040 0.00093 146 2PX 0.00002 -0.00004 -0.00004 0.00006 -0.00005 147 2PY -0.00001 -0.00001 0.00004 -0.00007 0.00013 148 2PZ -0.00001 0.00003 0.00002 -0.00002 0.00005 149 3S -0.00079 0.00067 -0.00054 0.00143 -0.00418 150 3PX -0.00002 0.00015 0.00018 -0.00077 0.00116 151 3PY -0.00034 0.00025 -0.00038 0.00028 -0.00133 152 3PZ 0.00011 -0.00030 -0.00029 -0.00005 -0.00027 153 4XX -0.00003 0.00002 0.00004 -0.00002 0.00012 154 4YY 0.00000 -0.00001 0.00003 -0.00018 0.00028 155 4ZZ 0.00000 0.00000 0.00002 -0.00010 0.00022 156 4XY 0.00000 0.00001 0.00002 -0.00008 0.00014 157 4XZ 0.00001 -0.00001 0.00002 0.00008 -0.00009 158 4YZ 0.00001 -0.00002 -0.00002 0.00000 0.00001 159 15 C 1S -0.00002 0.00001 -0.00001 -0.00016 0.00014 160 2S -0.00008 0.00003 -0.00003 -0.00021 0.00032 161 2PX 0.00005 -0.00005 0.00004 0.00009 -0.00005 162 2PY 0.00001 -0.00001 -0.00001 -0.00005 -0.00002 163 2PZ 0.00001 -0.00002 -0.00004 0.00014 -0.00014 164 3S 0.00094 -0.00022 0.00056 0.00021 -0.00042 165 3PX -0.00009 0.00004 -0.00004 -0.00015 0.00041 166 3PY 0.00028 -0.00007 -0.00012 0.00018 -0.00110 167 3PZ -0.00031 0.00013 -0.00013 -0.00010 -0.00054 168 4XX -0.00007 0.00005 -0.00003 -0.00015 0.00015 169 4YY -0.00004 0.00004 -0.00001 -0.00013 0.00013 170 4ZZ -0.00003 0.00002 0.00000 -0.00014 0.00013 171 4XY -0.00002 -0.00001 0.00001 -0.00004 0.00008 172 4XZ -0.00001 0.00001 -0.00002 0.00003 -0.00002 173 4YZ -0.00001 0.00000 0.00000 0.00004 0.00001 174 16 H 1S 0.00004 0.00001 -0.00003 0.00005 -0.00002 175 2S -0.00006 -0.00001 -0.00005 -0.00014 -0.00013 176 17 H 1S 0.00000 0.00000 0.00000 -0.00007 -0.00009 177 2S 0.00006 0.00003 -0.00012 -0.00010 -0.00006 178 18 H 1S 0.00006 0.00002 -0.00002 -0.00003 -0.00004 179 2S -0.00003 -0.00001 0.00007 -0.00036 -0.00027 180 19 H 1S -0.00005 0.00004 -0.00002 -0.00003 0.00004 181 2S 0.00002 -0.00001 0.00007 -0.00036 0.00027 182 20 H 1S 0.00000 0.00000 0.00000 -0.00007 0.00009 183 2S -0.00005 0.00004 -0.00012 -0.00010 0.00006 184 21 H 1S -0.00004 0.00002 -0.00003 0.00005 0.00002 185 2S 0.00005 -0.00003 -0.00005 -0.00014 0.00013 186 22 H 1S 0.00000 0.00001 0.00002 0.00000 0.00004 187 2S -0.00010 -0.00001 0.00011 0.00031 0.00036 188 23 H 1S 0.00000 0.00001 0.00002 0.00000 -0.00004 189 2S 0.00009 -0.00003 0.00011 0.00031 -0.00036 6 7 8 9 10 O O O O O Eigenvalues -- -10.18578 -10.18561 -10.18500 -10.18498 -10.16918 1 1 C 1S 0.00001 -0.00002 -0.00020 -0.00011 0.00001 2 2S -0.00010 -0.00020 -0.00133 -0.00054 -0.00027 3 2PX -0.00011 -0.00009 -0.00016 -0.00008 -0.00007 4 2PY 0.00003 0.00006 0.00008 -0.00005 -0.00017 5 2PZ 0.00003 0.00005 -0.00009 -0.00002 -0.00020 6 3S 0.00045 0.00068 0.00978 0.00233 0.00076 7 3PX 0.00068 0.00175 0.00019 0.00036 -0.00033 8 3PY -0.00016 -0.00022 0.00199 -0.00063 0.00043 9 3PZ -0.00043 -0.00128 0.00398 0.00077 0.00097 10 4XX -0.00009 -0.00011 -0.00002 0.00000 -0.00015 11 4YY -0.00007 -0.00013 -0.00026 -0.00014 -0.00014 12 4ZZ -0.00012 -0.00011 -0.00021 -0.00011 -0.00016 13 4XY -0.00004 0.00003 0.00004 -0.00006 0.00003 14 4XZ 0.00006 0.00007 0.00000 0.00006 -0.00006 15 4YZ 0.00005 0.00004 0.00001 -0.00008 -0.00006 16 2 C 1S 0.00001 0.00002 0.00020 -0.00011 0.00001 17 2S -0.00010 0.00020 0.00132 -0.00057 -0.00027 18 2PX -0.00011 0.00009 0.00015 -0.00009 -0.00007 19 2PY -0.00003 0.00006 0.00008 0.00005 0.00017 20 2PZ 0.00003 -0.00005 0.00009 -0.00003 -0.00020 21 3S 0.00045 -0.00068 -0.00972 0.00257 0.00076 22 3PX 0.00068 -0.00175 -0.00018 0.00037 -0.00033 23 3PY 0.00016 -0.00022 0.00201 0.00058 -0.00043 24 3PZ -0.00043 0.00128 -0.00396 0.00086 0.00097 25 4XX -0.00009 0.00011 0.00002 0.00000 -0.00015 26 4YY -0.00007 0.00013 0.00025 -0.00015 -0.00014 27 4ZZ -0.00012 0.00011 0.00020 -0.00011 -0.00016 28 4XY 0.00004 0.00003 0.00004 0.00006 -0.00003 29 4XZ 0.00006 -0.00007 0.00000 0.00006 -0.00006 30 4YZ -0.00005 0.00004 0.00001 0.00008 0.00006 31 3 C 1S -0.00001 0.00000 0.00000 0.00000 0.00001 32 2S -0.00007 0.00000 0.00000 0.00007 0.00000 33 2PX -0.00001 0.00000 0.00000 0.00009 -0.00003 34 2PY 0.00000 0.00002 -0.00007 0.00000 0.00000 35 2PZ 0.00004 0.00000 0.00000 0.00004 -0.00011 36 3S 0.00025 0.00000 0.00000 -0.00014 0.00050 37 3PX 0.00007 0.00000 0.00000 -0.00014 0.00051 38 3PY 0.00000 -0.00010 0.00034 0.00000 0.00000 39 3PZ -0.00023 0.00000 -0.00001 -0.00047 0.00033 40 4XX -0.00001 0.00000 0.00000 0.00006 -0.00002 41 4YY 0.00000 0.00000 0.00000 0.00001 0.00007 42 4ZZ -0.00003 0.00000 0.00000 0.00005 -0.00002 43 4XY 0.00000 -0.00002 -0.00001 0.00000 0.00000 44 4XZ -0.00001 0.00000 0.00000 0.00001 -0.00004 45 4YZ 0.00000 0.00000 -0.00001 0.00000 0.00000 46 4 O 1S -0.00003 -0.00005 0.00011 0.00006 0.00004 47 2S -0.00013 -0.00022 0.00055 0.00026 0.00025 48 2PX -0.00001 -0.00001 0.00006 0.00002 -0.00003 49 2PY 0.00000 0.00000 0.00002 0.00002 0.00003 50 2PZ 0.00000 0.00001 -0.00001 -0.00004 -0.00003 51 3S 0.00063 0.00137 -0.00365 -0.00144 -0.00144 52 3PX 0.00021 0.00035 -0.00149 -0.00045 -0.00017 53 3PY 0.00011 0.00014 -0.00052 -0.00017 -0.00052 54 3PZ -0.00013 -0.00028 0.00047 0.00032 0.00010 55 4XX -0.00005 -0.00010 0.00011 0.00011 0.00010 56 4YY -0.00008 -0.00015 0.00032 0.00013 0.00000 57 4ZZ -0.00007 -0.00012 0.00035 0.00019 0.00014 58 4XY 0.00004 0.00004 -0.00008 -0.00002 -0.00003 59 4XZ -0.00003 -0.00003 0.00004 0.00003 0.00003 60 4YZ -0.00002 -0.00003 0.00002 -0.00001 0.00000 61 5 H 1S -0.00006 -0.00024 -0.00014 -0.00012 0.00007 62 2S -0.00057 -0.00085 0.00058 -0.00023 0.00049 63 6 H 1S -0.00006 0.00024 0.00014 -0.00013 0.00007 64 2S -0.00057 0.00085 -0.00058 -0.00021 0.00049 65 7 H 1S -0.00003 0.00000 0.00000 -0.00006 0.00002 66 2S -0.00007 0.00000 0.00000 -0.00017 0.00030 67 8 O 1S -0.00003 0.00005 -0.00011 0.00006 0.00004 68 2S -0.00013 0.00022 -0.00055 0.00027 0.00025 69 2PX -0.00001 0.00001 -0.00006 0.00002 -0.00003 70 2PY 0.00000 0.00000 0.00002 -0.00002 -0.00003 71 2PZ 0.00000 -0.00001 0.00001 -0.00004 -0.00003 72 3S 0.00063 -0.00137 0.00361 -0.00153 -0.00144 73 3PX 0.00021 -0.00035 0.00148 -0.00049 -0.00017 74 3PY -0.00011 0.00014 -0.00052 0.00019 0.00052 75 3PZ -0.00013 0.00028 -0.00047 0.00033 0.00010 76 4XX -0.00005 0.00010 -0.00011 0.00012 0.00009 77 4YY -0.00008 0.00015 -0.00031 0.00014 0.00000 78 4ZZ -0.00007 0.00012 -0.00034 0.00020 0.00014 79 4XY -0.00004 0.00004 -0.00008 0.00002 0.00003 80 4XZ -0.00003 0.00003 -0.00004 0.00003 0.00003 81 4YZ 0.00002 -0.00003 0.00002 0.00001 0.00000 82 9 H 1S 0.00001 0.00000 0.00000 0.00004 -0.00008 83 2S 0.00010 0.00000 0.00000 0.00027 -0.00018 84 10 C 1S 0.00171 -0.00236 -0.01281 0.01355 0.70201 85 2S -0.00016 0.00012 -0.00038 0.00034 0.03491 86 2PX -0.00008 0.00004 0.00011 -0.00008 -0.00014 87 2PY 0.00005 0.00007 0.00012 -0.00009 0.00011 88 2PZ 0.00013 -0.00012 0.00003 0.00014 -0.00024 89 3S 0.00108 -0.00156 -0.00934 0.00320 -0.00783 90 3PX 0.00017 -0.00023 -0.00200 0.00045 0.00012 91 3PY 0.00018 -0.00036 0.00026 0.00049 -0.00068 92 3PZ -0.00065 0.00122 0.00505 -0.00145 0.00108 93 4XX -0.00012 0.00009 0.00014 -0.00021 -0.00670 94 4YY -0.00005 0.00011 0.00024 -0.00020 -0.00675 95 4ZZ -0.00008 0.00007 0.00018 -0.00023 -0.00659 96 4XY -0.00003 0.00006 0.00004 -0.00002 -0.00002 97 4XZ -0.00004 0.00002 -0.00002 0.00003 -0.00010 98 4YZ -0.00004 -0.00001 -0.00010 0.00016 0.00001 99 11 C 1S 0.10562 -0.13906 -0.67987 0.70241 -0.01372 100 2S 0.00515 -0.00700 -0.03548 0.03524 -0.00088 101 2PX -0.00010 -0.00002 0.00015 -0.00004 -0.00002 102 2PY 0.00007 0.00006 0.00052 -0.00013 0.00007 103 2PZ 0.00007 0.00009 0.00021 -0.00011 -0.00022 104 3S 0.00062 -0.00022 0.02276 -0.01314 0.00248 105 3PX 0.00119 -0.00127 0.00034 -0.00004 -0.00029 106 3PY -0.00040 0.00038 -0.00685 0.00127 -0.00054 107 3PZ -0.00131 0.00139 0.00023 0.00031 0.00130 108 4XX -0.00118 0.00141 0.00581 -0.00645 0.00008 109 4YY -0.00100 0.00131 0.00564 -0.00621 0.00013 110 4ZZ -0.00114 0.00134 0.00571 -0.00624 -0.00004 111 4XY 0.00003 -0.00001 0.00003 -0.00003 0.00000 112 4XZ 0.00006 -0.00009 0.00001 -0.00013 0.00003 113 4YZ -0.00007 0.00007 0.00001 -0.00008 0.00003 114 12 C 1S 0.69414 -0.68835 0.13803 -0.10747 0.00025 115 2S 0.03481 -0.03519 0.00765 -0.00563 -0.00017 116 2PX -0.00009 0.00014 0.00013 0.00006 -0.00002 117 2PY 0.00002 0.00006 0.00008 -0.00001 0.00004 118 2PZ 0.00002 -0.00002 -0.00002 -0.00008 -0.00010 119 3S -0.00980 0.01799 -0.01285 0.00474 0.00051 120 3PX 0.00048 -0.00111 0.00251 -0.00110 -0.00003 121 3PY -0.00104 -0.00254 0.00159 0.00056 0.00004 122 3PZ -0.00032 0.00046 -0.00311 0.00103 0.00041 123 4XX -0.00631 0.00598 -0.00111 0.00082 -0.00004 124 4YY -0.00661 0.00590 -0.00102 0.00088 -0.00005 125 4ZZ -0.00631 0.00600 -0.00102 0.00077 -0.00004 126 4XY 0.00006 0.00001 -0.00014 0.00013 -0.00001 127 4XZ 0.00008 -0.00010 -0.00004 0.00007 -0.00006 128 4YZ -0.00004 0.00000 0.00013 -0.00011 0.00001 129 13 C 1S 0.69402 0.68844 -0.14068 -0.10415 0.00025 130 2S 0.03480 0.03520 -0.00779 -0.00544 -0.00017 131 2PX -0.00009 -0.00014 -0.00013 0.00006 -0.00002 132 2PY -0.00002 0.00006 0.00008 0.00001 -0.00004 133 2PZ 0.00002 0.00002 0.00002 -0.00008 -0.00010 134 3S -0.00980 -0.01799 0.01296 0.00443 0.00051 135 3PX 0.00048 0.00111 -0.00254 -0.00104 -0.00003 136 3PY 0.00104 -0.00254 0.00158 -0.00059 -0.00004 137 3PZ -0.00032 -0.00046 0.00314 0.00096 0.00041 138 4XX -0.00631 -0.00598 0.00113 0.00080 -0.00004 139 4YY -0.00661 -0.00590 0.00105 0.00085 -0.00005 140 4ZZ -0.00631 -0.00600 0.00104 0.00075 -0.00004 141 4XY -0.00006 0.00001 -0.00015 -0.00012 0.00001 142 4XZ 0.00008 0.00010 0.00004 0.00007 -0.00006 143 4YZ 0.00004 0.00000 0.00014 0.00011 -0.00001 144 14 C 1S 0.10566 0.13917 0.69686 0.68553 -0.01371 145 2S 0.00515 0.00701 0.03633 0.03436 -0.00088 146 2PX -0.00010 0.00002 -0.00015 -0.00004 -0.00002 147 2PY -0.00007 0.00006 0.00052 0.00012 -0.00007 148 2PZ 0.00007 -0.00009 -0.00021 -0.00010 -0.00022 149 3S 0.00061 0.00022 -0.02307 -0.01258 0.00248 150 3PX 0.00119 0.00127 -0.00034 -0.00003 -0.00029 151 3PY 0.00040 0.00038 -0.00688 -0.00110 0.00054 152 3PZ -0.00131 -0.00139 -0.00022 0.00032 0.00130 153 4XX -0.00118 -0.00141 -0.00596 -0.00630 0.00008 154 4YY -0.00100 -0.00131 -0.00579 -0.00607 0.00013 155 4ZZ -0.00114 -0.00134 -0.00586 -0.00610 -0.00004 156 4XY -0.00003 -0.00001 0.00004 0.00003 0.00000 157 4XZ 0.00006 0.00009 -0.00001 -0.00013 0.00003 158 4YZ 0.00007 0.00007 0.00002 0.00008 -0.00003 159 15 C 1S 0.00171 0.00236 0.01314 0.01323 0.70157 160 2S -0.00016 -0.00012 0.00039 0.00033 0.03489 161 2PX -0.00008 -0.00004 -0.00011 -0.00008 -0.00014 162 2PY -0.00005 0.00007 0.00012 0.00009 -0.00011 163 2PZ 0.00013 0.00012 -0.00003 0.00014 -0.00024 164 3S 0.00108 0.00156 0.00941 0.00297 -0.00782 165 3PX 0.00017 0.00023 0.00201 0.00040 0.00012 166 3PY -0.00018 -0.00036 0.00025 -0.00049 0.00068 167 3PZ -0.00065 -0.00122 -0.00508 -0.00132 0.00108 168 4XX -0.00012 -0.00009 -0.00014 -0.00020 -0.00670 169 4YY -0.00005 -0.00011 -0.00025 -0.00019 -0.00674 170 4ZZ -0.00008 -0.00007 -0.00019 -0.00023 -0.00658 171 4XY 0.00003 0.00006 0.00004 0.00002 0.00002 172 4XZ -0.00004 -0.00002 0.00002 0.00003 -0.00010 173 4YZ 0.00004 -0.00001 -0.00010 -0.00016 -0.00001 174 16 H 1S -0.00001 0.00001 -0.00006 -0.00008 -0.00030 175 2S 0.00027 -0.00028 -0.00097 0.00025 0.00137 176 17 H 1S -0.00011 0.00008 0.00017 -0.00010 -0.00003 177 2S 0.00042 -0.00025 -0.00024 0.00166 0.00004 178 18 H 1S -0.00009 -0.00026 0.00025 -0.00007 0.00001 179 2S 0.00193 -0.00210 0.00016 -0.00031 0.00023 180 19 H 1S -0.00009 0.00026 -0.00025 -0.00006 0.00001 181 2S 0.00193 0.00210 -0.00017 -0.00031 0.00023 182 20 H 1S -0.00011 -0.00008 -0.00017 -0.00009 -0.00003 183 2S 0.00042 0.00025 0.00028 0.00165 0.00004 184 21 H 1S -0.00001 -0.00001 0.00006 -0.00008 -0.00030 185 2S 0.00027 0.00029 0.00097 0.00022 0.00137 186 22 H 1S -0.00012 -0.00015 0.00041 -0.00011 -0.00005 187 2S 0.00181 -0.00185 0.00030 -0.00017 -0.00015 188 23 H 1S -0.00012 0.00015 -0.00041 -0.00010 -0.00005 189 2S 0.00181 0.00185 -0.00030 -0.00017 -0.00015 11 12 13 14 15 O O O O O Eigenvalues -- -10.16869 -1.10211 -1.00641 -0.83058 -0.76110 1 1 C 1S -0.00004 -0.05690 -0.04430 -0.02681 -0.12476 2 2S -0.00045 0.10584 0.08759 0.05410 0.25047 3 2PX -0.00004 -0.06058 -0.06093 0.01602 -0.01406 4 2PY 0.00002 0.00989 -0.04421 0.01434 0.07148 5 2PZ -0.00021 0.04381 0.04509 0.00181 -0.00957 6 3S 0.00396 0.03633 -0.01198 0.03269 0.17748 7 3PX -0.00118 0.00348 0.02172 0.00391 0.00558 8 3PY 0.00190 -0.00075 -0.01849 0.00248 0.00958 9 3PZ 0.00246 -0.00644 -0.03019 -0.00113 -0.00913 10 4XX -0.00010 0.00423 0.00654 -0.00158 -0.01042 11 4YY -0.00008 -0.00144 -0.00863 0.00141 0.00622 12 4ZZ -0.00014 -0.00125 0.00163 -0.00085 -0.00708 13 4XY 0.00005 0.00187 0.00594 -0.00004 -0.00010 14 4XZ -0.00010 -0.01133 -0.01154 0.00049 -0.00503 15 4YZ 0.00003 -0.00107 -0.00373 0.00095 0.00227 16 2 C 1S 0.00004 -0.05690 0.04430 -0.02681 -0.12477 17 2S 0.00045 0.10584 -0.08759 0.05410 0.25048 18 2PX 0.00004 -0.06058 0.06092 0.01601 -0.01406 19 2PY 0.00002 -0.00989 -0.04420 -0.01434 -0.07148 20 2PZ 0.00021 0.04381 -0.04509 0.00181 -0.00957 21 3S -0.00396 0.03633 0.01199 0.03269 0.17748 22 3PX 0.00118 0.00348 -0.02172 0.00392 0.00558 23 3PY 0.00190 0.00076 -0.01849 -0.00248 -0.00957 24 3PZ -0.00246 -0.00645 0.03019 -0.00113 -0.00914 25 4XX 0.00010 0.00423 -0.00654 -0.00158 -0.01042 26 4YY 0.00008 -0.00144 0.00863 0.00141 0.00622 27 4ZZ 0.00014 -0.00125 -0.00163 -0.00085 -0.00708 28 4XY 0.00005 -0.00187 0.00593 0.00004 0.00010 29 4XZ 0.00010 -0.01133 0.01154 0.00049 -0.00503 30 4YZ 0.00003 0.00107 -0.00372 -0.00095 -0.00227 31 3 C 1S 0.00000 -0.08378 0.00000 0.01970 0.11339 32 2S 0.00000 0.16131 0.00000 -0.04075 -0.23762 33 2PX 0.00000 0.07989 0.00000 -0.00552 0.00194 34 2PY -0.00001 0.00001 -0.12924 0.00000 0.00000 35 2PZ 0.00000 -0.03331 -0.00001 0.00181 -0.01808 36 3S 0.00000 0.02817 0.00000 -0.02453 -0.16899 37 3PX 0.00000 -0.01394 0.00000 0.00165 0.01305 38 3PY 0.00014 0.00000 -0.00704 0.00000 0.00000 39 3PZ 0.00000 0.00248 0.00000 0.00090 -0.00530 40 4XX 0.00000 0.00385 0.00000 0.00089 0.00638 41 4YY 0.00000 0.00729 0.00000 -0.00134 -0.00340 42 4ZZ 0.00000 -0.00722 0.00000 0.00095 0.00332 43 4XY 0.00001 0.00000 -0.02357 0.00000 0.00000 44 4XZ 0.00000 -0.00742 0.00000 0.00020 -0.00307 45 4YZ 0.00003 0.00000 0.00928 0.00000 0.00000 46 4 O 1S 0.00001 -0.13070 -0.15225 0.00875 0.01667 47 2S 0.00011 0.28291 0.33390 -0.02046 -0.03953 48 2PX -0.00005 0.01174 0.01916 0.02294 0.13340 49 2PY -0.00003 0.08698 0.06064 -0.00894 -0.03454 50 2PZ -0.00005 -0.02446 -0.03106 -0.00870 -0.08495 51 3S -0.00135 0.28635 0.35992 -0.02062 -0.04326 52 3PX -0.00044 0.00341 0.01863 0.01058 0.06054 53 3PY -0.00022 0.05251 0.03654 -0.00389 -0.01469 54 3PZ 0.00039 -0.01120 -0.02087 -0.00436 -0.03986 55 4XX -0.00007 -0.00064 0.00054 0.00086 0.00156 56 4YY -0.00001 0.00724 -0.00070 -0.00121 -0.00572 57 4ZZ -0.00001 -0.00547 -0.00450 0.00058 0.00332 58 4XY -0.00003 -0.00207 0.00030 0.00232 0.01288 59 4XZ 0.00001 -0.00670 -0.00750 -0.00055 -0.00489 60 4YZ 0.00004 -0.00203 -0.00255 -0.00086 -0.00752 61 5 H 1S 0.00014 0.01240 0.01389 0.01617 0.06953 62 2S 0.00108 -0.00543 -0.01045 0.00405 0.01114 63 6 H 1S -0.00014 0.01240 -0.01389 0.01617 0.06953 64 2S -0.00108 -0.00543 0.01045 0.00405 0.01114 65 7 H 1S 0.00000 0.02520 0.00000 -0.00996 -0.06750 66 2S 0.00000 -0.00134 0.00000 -0.00091 -0.01200 67 8 O 1S -0.00001 -0.13070 0.15224 0.00875 0.01667 68 2S -0.00011 0.28293 -0.33389 -0.02046 -0.03953 69 2PX 0.00005 0.01174 -0.01916 0.02293 0.13341 70 2PY -0.00003 -0.08698 0.06064 0.00894 0.03455 71 2PZ 0.00005 -0.02447 0.03106 -0.00870 -0.08495 72 3S 0.00135 0.28637 -0.35991 -0.02062 -0.04326 73 3PX 0.00044 0.00341 -0.01863 0.01058 0.06054 74 3PY -0.00022 -0.05251 0.03653 0.00389 0.01469 75 3PZ -0.00039 -0.01121 0.02088 -0.00436 -0.03986 76 4XX 0.00007 -0.00064 -0.00054 0.00086 0.00156 77 4YY 0.00001 0.00724 0.00070 -0.00121 -0.00572 78 4ZZ 0.00001 -0.00547 0.00450 0.00058 0.00332 79 4XY -0.00003 0.00207 0.00029 -0.00232 -0.01288 80 4XZ -0.00001 -0.00670 0.00750 -0.00055 -0.00490 81 4YZ 0.00004 0.00203 -0.00255 0.00086 0.00752 82 9 H 1S 0.00000 0.02480 0.00000 -0.01054 -0.07837 83 2S 0.00000 0.00199 0.00000 -0.00171 -0.01785 84 10 C 1S -0.70186 -0.00162 0.00106 -0.09183 0.02765 85 2S -0.03562 0.00206 -0.00129 0.17564 -0.05300 86 2PX 0.00008 -0.00094 0.00080 0.01146 -0.00581 87 2PY 0.00029 -0.00019 -0.00087 -0.02827 0.01095 88 2PZ 0.00030 -0.00123 0.00064 -0.05056 0.00537 89 3S 0.01693 0.00147 0.00885 0.10903 -0.03559 90 3PX 0.00026 -0.00115 0.00281 -0.00083 -0.00033 91 3PY -0.00339 -0.00004 0.00000 -0.00133 0.00319 92 3PZ -0.00281 0.00032 -0.00616 -0.00076 0.00016 93 4XX 0.00645 0.00009 -0.00023 -0.00844 0.00268 94 4YY 0.00607 -0.00009 0.00037 0.00290 -0.00093 95 4ZZ 0.00631 -0.00015 0.00023 0.00103 0.00080 96 4XY 0.00004 0.00003 -0.00002 -0.00046 0.00030 97 4XZ 0.00013 0.00023 -0.00022 -0.00449 0.00189 98 4YZ 0.00013 -0.00005 0.00009 -0.00012 -0.00017 99 11 C 1S 0.01338 -0.00220 0.00284 -0.09083 0.01507 100 2S 0.00064 0.00217 -0.00019 0.16945 -0.02978 101 2PX 0.00005 -0.00174 0.00174 0.01464 -0.01409 102 2PY -0.00005 -0.00066 -0.00046 -0.04658 0.00964 103 2PZ 0.00010 -0.00015 0.00041 0.01667 -0.01498 104 3S -0.00373 0.00810 -0.02416 0.13002 -0.01716 105 3PX 0.00002 -0.00079 0.00466 0.00259 -0.00143 106 3PY 0.00115 -0.00311 0.01141 -0.01294 -0.00027 107 3PZ -0.00113 -0.00202 -0.00117 -0.00368 -0.00733 108 4XX -0.00013 0.00013 0.00000 -0.00594 0.00188 109 4YY -0.00002 -0.00037 0.00083 0.00085 -0.00037 110 4ZZ 0.00013 -0.00034 0.00064 -0.00009 -0.00054 111 4XY 0.00005 0.00009 -0.00020 -0.00234 0.00106 112 4XZ -0.00006 -0.00003 0.00010 -0.00570 0.00205 113 4YZ -0.00007 0.00001 0.00014 -0.00227 0.00148 114 12 C 1S -0.00018 -0.00040 0.00005 -0.08489 0.01846 115 2S 0.00018 0.00221 -0.00292 0.15996 -0.03376 116 2PX -0.00002 -0.00109 0.00093 -0.02348 -0.00351 117 2PY 0.00003 -0.00046 -0.00039 -0.01948 0.00479 118 2PZ 0.00008 0.00003 0.00028 0.02743 -0.00888 119 3S -0.00038 -0.00405 0.01573 0.11480 -0.03570 120 3PX -0.00003 0.00390 -0.00929 -0.00065 0.00035 121 3PY 0.00019 0.00020 -0.00659 -0.00433 -0.00036 122 3PZ -0.00036 -0.00046 0.00061 0.00302 -0.00252 123 4XX 0.00003 0.00020 -0.00022 -0.00109 0.00101 124 4YY 0.00004 0.00035 -0.00009 0.00166 -0.00025 125 4ZZ 0.00003 0.00026 -0.00026 -0.00009 0.00003 126 4XY 0.00000 0.00015 0.00021 -0.00007 0.00015 127 4XZ 0.00004 0.00011 -0.00020 -0.00254 0.00072 128 4YZ 0.00005 0.00007 -0.00013 0.00008 0.00002 129 13 C 1S 0.00018 -0.00040 -0.00005 -0.08489 0.01846 130 2S -0.00018 0.00221 0.00292 0.15996 -0.03377 131 2PX 0.00002 -0.00109 -0.00093 -0.02348 -0.00350 132 2PY 0.00003 0.00046 -0.00039 0.01948 -0.00479 133 2PZ -0.00008 0.00003 -0.00028 0.02743 -0.00888 134 3S 0.00038 -0.00405 -0.01573 0.11480 -0.03571 135 3PX 0.00003 0.00390 0.00929 -0.00065 0.00035 136 3PY 0.00019 -0.00020 -0.00659 0.00433 0.00036 137 3PZ 0.00036 -0.00046 -0.00061 0.00303 -0.00252 138 4XX -0.00003 0.00020 0.00022 -0.00109 0.00101 139 4YY -0.00004 0.00035 0.00009 0.00166 -0.00025 140 4ZZ -0.00003 0.00026 0.00026 -0.00009 0.00003 141 4XY 0.00000 -0.00015 0.00021 0.00007 -0.00015 142 4XZ -0.00004 0.00011 0.00020 -0.00254 0.00072 143 4YZ 0.00005 -0.00007 -0.00013 -0.00008 -0.00002 144 14 C 1S -0.01338 -0.00220 -0.00284 -0.09083 0.01507 145 2S -0.00064 0.00217 0.00019 0.16945 -0.02978 146 2PX -0.00005 -0.00174 -0.00174 0.01464 -0.01409 147 2PY -0.00005 0.00066 -0.00046 0.04658 -0.00964 148 2PZ -0.00010 -0.00015 -0.00041 0.01669 -0.01499 149 3S 0.00373 0.00810 0.02416 0.13003 -0.01716 150 3PX -0.00002 -0.00079 -0.00466 0.00259 -0.00143 151 3PY 0.00115 0.00311 0.01141 0.01294 0.00027 152 3PZ 0.00113 -0.00202 0.00117 -0.00367 -0.00733 153 4XX 0.00013 0.00013 0.00000 -0.00594 0.00188 154 4YY 0.00002 -0.00037 -0.00083 0.00085 -0.00037 155 4ZZ -0.00013 -0.00034 -0.00064 -0.00009 -0.00054 156 4XY 0.00005 -0.00009 -0.00020 0.00234 -0.00106 157 4XZ 0.00006 -0.00003 -0.00010 -0.00570 0.00205 158 4YZ -0.00007 -0.00001 0.00014 0.00227 -0.00148 159 15 C 1S 0.70230 -0.00162 -0.00106 -0.09184 0.02765 160 2S 0.03564 0.00206 0.00129 0.17564 -0.05300 161 2PX -0.00008 -0.00094 -0.00080 0.01145 -0.00581 162 2PY 0.00029 0.00019 -0.00087 0.02828 -0.01095 163 2PZ -0.00030 -0.00123 -0.00064 -0.05056 0.00537 164 3S -0.01694 0.00147 -0.00885 0.10903 -0.03559 165 3PX -0.00026 -0.00114 -0.00281 -0.00083 -0.00033 166 3PY -0.00339 0.00004 0.00000 0.00133 -0.00319 167 3PZ 0.00281 0.00032 0.00615 -0.00076 0.00016 168 4XX -0.00646 0.00009 0.00023 -0.00844 0.00268 169 4YY -0.00607 -0.00009 -0.00037 0.00290 -0.00093 170 4ZZ -0.00631 -0.00015 -0.00023 0.00103 0.00080 171 4XY 0.00004 -0.00003 -0.00002 0.00046 -0.00030 172 4XZ -0.00013 0.00023 0.00022 -0.00449 0.00189 173 4YZ 0.00013 0.00005 0.00009 0.00012 0.00017 174 16 H 1S 0.00023 0.00030 -0.00023 0.03509 -0.01342 175 2S -0.00081 0.00016 0.00072 0.00135 -0.00330 176 17 H 1S 0.00000 0.00048 -0.00093 0.03694 -0.00501 177 2S -0.00002 0.00152 -0.00347 0.00571 -0.00021 178 18 H 1S 0.00000 0.00076 -0.00135 0.03970 -0.00617 179 2S -0.00023 0.00037 -0.00023 0.00578 0.00201 180 19 H 1S 0.00000 0.00076 0.00135 0.03970 -0.00617 181 2S 0.00024 0.00037 0.00023 0.00578 0.00201 182 20 H 1S 0.00000 0.00048 0.00093 0.03694 -0.00501 183 2S 0.00002 0.00152 0.00347 0.00571 -0.00021 184 21 H 1S -0.00023 0.00030 0.00023 0.03509 -0.01342 185 2S 0.00081 0.00016 -0.00072 0.00135 -0.00330 186 22 H 1S 0.00006 0.00003 0.00006 0.04104 -0.01213 187 2S 0.00009 -0.00141 0.00301 0.00393 -0.00229 188 23 H 1S -0.00006 0.00003 -0.00006 0.04104 -0.01213 189 2S -0.00009 -0.00141 -0.00301 0.00393 -0.00229 16 17 18 19 20 O O O O O Eigenvalues -- -0.73599 -0.72996 -0.64146 -0.60785 -0.60674 1 1 C 1S 0.00173 0.01291 -0.06744 -0.08892 -0.04439 2 2S -0.00363 -0.02432 0.13626 0.18376 0.09003 3 2PX 0.00412 -0.01292 0.08224 -0.01907 -0.01220 4 2PY -0.00113 0.01632 0.14874 -0.12293 -0.06093 5 2PZ -0.00958 -0.00039 -0.09433 -0.01958 0.00108 6 3S -0.00389 -0.03256 0.12088 0.17258 0.10066 7 3PX 0.00272 -0.00415 0.02111 0.01073 -0.00593 8 3PY 0.00055 -0.00231 0.02743 -0.02810 -0.01112 9 3PZ -0.00227 -0.00542 -0.02662 -0.01790 0.00354 10 4XX 0.00085 0.00050 -0.01165 -0.00359 -0.00221 11 4YY -0.00005 0.00106 0.00676 -0.00673 -0.00335 12 4ZZ -0.00072 0.00001 -0.00618 0.00038 0.00093 13 4XY -0.00031 0.00114 -0.00834 0.00292 0.00201 14 4XZ -0.00024 -0.00031 0.00653 -0.00769 -0.00378 15 4YZ 0.00009 -0.00037 0.00738 0.00401 0.00077 16 2 C 1S 0.00173 -0.01291 -0.06744 0.08892 0.04439 17 2S -0.00363 0.02431 0.13625 -0.18376 -0.09004 18 2PX 0.00413 0.01292 0.08224 0.01907 0.01221 19 2PY 0.00113 0.01632 -0.14873 -0.12294 -0.06092 20 2PZ -0.00958 0.00039 -0.09435 0.01956 -0.00109 21 3S -0.00388 0.03256 0.12087 -0.17258 -0.10067 22 3PX 0.00273 0.00415 0.02112 -0.01073 0.00593 23 3PY -0.00055 -0.00231 -0.02742 -0.02810 -0.01112 24 3PZ -0.00227 0.00542 -0.02662 0.01790 -0.00354 25 4XX 0.00085 -0.00050 -0.01165 0.00359 0.00221 26 4YY -0.00005 -0.00106 0.00676 0.00673 0.00335 27 4ZZ -0.00072 -0.00001 -0.00618 -0.00038 -0.00093 28 4XY 0.00031 0.00114 0.00834 0.00292 0.00201 29 4XZ -0.00024 0.00031 0.00654 0.00769 0.00378 30 4YZ -0.00009 -0.00037 -0.00738 0.00401 0.00077 31 3 C 1S -0.00900 0.00000 -0.12549 0.00000 0.00000 32 2S 0.01867 0.00000 0.26473 0.00000 0.00000 33 2PX -0.00190 0.00000 -0.08971 0.00000 0.00000 34 2PY 0.00000 -0.02033 0.00000 0.19115 0.10768 35 2PZ -0.00114 0.00000 0.02933 0.00001 0.00001 36 3S 0.01546 0.00000 0.24902 0.00000 0.00000 37 3PX -0.00179 0.00000 -0.03687 0.00000 0.00000 38 3PY 0.00000 -0.00352 0.00000 0.05008 0.02913 39 3PZ -0.00125 0.00000 0.00546 0.00000 0.00000 40 4XX -0.00069 0.00000 -0.00319 0.00000 0.00000 41 4YY 0.00018 0.00000 -0.01318 0.00000 0.00000 42 4ZZ -0.00018 0.00000 0.00618 0.00000 0.00000 43 4XY 0.00000 -0.00231 0.00000 0.01685 0.00933 44 4XZ -0.00006 0.00000 0.00308 0.00000 0.00000 45 4YZ 0.00000 0.00097 0.00000 -0.00347 -0.00232 46 4 O 1S -0.00040 -0.00740 0.06977 0.02373 0.01373 47 2S 0.00086 0.01624 -0.16285 -0.05608 -0.03037 48 2PX -0.01219 -0.01777 -0.10119 0.18329 0.10604 49 2PY 0.00340 0.00707 0.08531 -0.05089 -0.02922 50 2PZ 0.00148 0.00514 0.04051 -0.12345 -0.06116 51 3S 0.00177 0.02376 -0.21439 -0.06887 -0.04980 52 3PX -0.00513 -0.00621 -0.04072 0.08583 0.04671 53 3PY 0.00171 0.00426 0.04646 -0.02031 -0.01398 54 3PZ -0.00045 0.00187 0.01497 -0.06023 -0.02594 55 4XX -0.00036 -0.00108 0.00066 0.00274 0.00226 56 4YY 0.00037 0.00002 0.00964 -0.00355 -0.00123 57 4ZZ -0.00016 -0.00088 -0.00013 0.00464 0.00290 58 4XY -0.00100 -0.00056 -0.00459 0.00760 0.00411 59 4XZ -0.00018 0.00028 -0.00005 -0.00575 -0.00240 60 4YZ 0.00006 0.00012 -0.00057 -0.00443 -0.00204 61 5 H 1S 0.00349 -0.01587 0.05608 0.11172 0.04886 62 2S 0.00438 -0.00904 0.01647 0.04741 0.01818 63 6 H 1S 0.00350 0.01587 0.05608 -0.11172 -0.04886 64 2S 0.00438 0.00904 0.01647 -0.04741 -0.01818 65 7 H 1S 0.00636 0.00000 0.11736 0.00000 0.00000 66 2S 0.00074 0.00000 0.03372 0.00000 0.00000 67 8 O 1S -0.00040 0.00740 0.06976 -0.02373 -0.01373 68 2S 0.00086 -0.01624 -0.16285 0.05607 0.03037 69 2PX -0.01218 0.01777 -0.10120 -0.18329 -0.10604 70 2PY -0.00340 0.00707 -0.08532 -0.05091 -0.02922 71 2PZ 0.00148 -0.00514 0.04050 0.12345 0.06116 72 3S 0.00176 -0.02376 -0.21439 0.06887 0.04981 73 3PX -0.00513 0.00621 -0.04072 -0.08583 -0.04671 74 3PY -0.00170 0.00426 -0.04646 -0.02032 -0.01398 75 3PZ -0.00045 -0.00186 0.01497 0.06023 0.02594 76 4XX -0.00036 0.00108 0.00066 -0.00274 -0.00226 77 4YY 0.00037 -0.00002 0.00964 0.00355 0.00123 78 4ZZ -0.00016 0.00088 -0.00013 -0.00464 -0.00290 79 4XY 0.00100 -0.00056 0.00459 0.00760 0.00411 80 4XZ -0.00018 -0.00028 -0.00005 0.00575 0.00240 81 4YZ -0.00006 0.00012 0.00057 -0.00443 -0.00204 82 9 H 1S 0.00562 0.00000 0.11789 0.00000 0.00000 83 2S 0.00069 0.00000 0.03918 0.00000 0.00000 84 10 C 1S 0.10623 -0.06311 0.00400 -0.04841 0.06558 85 2S -0.20694 0.12604 -0.00653 0.09836 -0.13426 86 2PX 0.01158 0.01280 -0.00191 0.00082 0.01189 87 2PY 0.05074 0.07623 0.00059 0.06207 -0.08472 88 2PZ 0.00457 -0.05687 -0.00505 -0.01323 0.01741 89 3S -0.14961 0.07286 -0.00993 0.07470 -0.09833 90 3PX 0.00587 -0.00393 -0.00029 -0.00550 0.00891 91 3PY 0.00539 0.02419 0.00029 0.01616 -0.03215 92 3PZ -0.00675 0.00813 0.00103 0.01108 -0.01448 93 4XX 0.00960 -0.00422 0.00026 -0.00310 0.00408 94 4YY -0.00497 -0.00622 0.00001 -0.00452 0.00599 95 4ZZ 0.00307 0.00539 0.00065 0.00166 -0.00266 96 4XY 0.00112 0.00055 0.00029 -0.00066 0.00208 97 4XZ 0.00307 -0.00449 0.00056 -0.00306 0.00270 98 4YZ -0.00148 -0.00491 0.00012 -0.00014 0.00035 99 11 C 1S 0.01110 -0.12384 -0.00143 -0.02139 0.01666 100 2S -0.02086 0.24001 0.00195 0.04442 -0.03370 101 2PX 0.05209 0.01855 -0.00996 -0.01750 0.08370 102 2PY 0.01251 -0.00644 -0.00241 -0.00630 0.00170 103 2PZ -0.09373 0.01782 -0.00586 0.08382 -0.12415 104 3S -0.02237 0.20502 0.00934 0.04140 -0.03931 105 3PX 0.00829 0.00453 -0.00047 -0.00301 0.02182 106 3PY 0.00893 -0.00114 -0.00471 0.00029 0.00144 107 3PZ -0.01618 -0.00331 -0.00342 0.02818 -0.02690 108 4XX 0.00488 -0.00730 -0.00114 -0.00468 0.00497 109 4YY -0.00068 -0.00066 0.00007 0.00062 -0.00077 110 4ZZ -0.00140 -0.00084 -0.00008 0.00135 -0.00140 111 4XY -0.00412 -0.00285 0.00111 0.00090 -0.00273 112 4XZ -0.00257 -0.00642 0.00095 -0.00056 -0.00399 113 4YZ 0.00795 -0.00210 0.00051 -0.00334 0.00518 114 12 C 1S -0.11055 -0.06888 0.01225 0.03316 -0.09310 115 2S 0.21313 0.13377 -0.02382 -0.06844 0.18826 116 2PX 0.01340 -0.02895 -0.01597 -0.00113 0.01618 117 2PY -0.03717 0.06702 0.00486 -0.03389 0.09446 118 2PZ -0.01862 0.03268 -0.00232 0.01849 -0.01666 119 3S 0.18639 0.10957 -0.02840 -0.05838 0.18514 120 3PX 0.00303 -0.00106 -0.00733 -0.00234 0.00800 121 3PY -0.00609 0.01619 -0.00043 -0.01286 0.03923 122 3PZ -0.00680 0.00447 -0.00204 0.00839 -0.01286 123 4XX -0.00239 0.00240 0.00072 -0.00102 0.00229 124 4YY 0.00371 -0.00769 -0.00059 0.00373 -0.01033 125 4ZZ -0.00301 0.00347 0.00014 -0.00022 0.00214 126 4XY 0.00093 -0.00241 -0.00011 -0.00031 0.00186 127 4XZ 0.00305 -0.00336 -0.00019 -0.00215 0.00334 128 4YZ -0.00125 0.00256 0.00009 0.00180 -0.00215 129 13 C 1S -0.11054 0.06890 0.01226 -0.03316 0.09310 130 2S 0.21311 -0.13380 -0.02383 0.06844 -0.18826 131 2PX 0.01341 0.02894 -0.01597 0.00113 -0.01620 132 2PY 0.03718 0.06702 -0.00485 -0.03389 0.09445 133 2PZ -0.01862 -0.03267 -0.00232 -0.01849 0.01667 134 3S 0.18637 -0.10959 -0.02841 0.05838 -0.18514 135 3PX 0.00303 0.00106 -0.00732 0.00235 -0.00800 136 3PY 0.00610 0.01619 0.00043 -0.01286 0.03923 137 3PZ -0.00681 -0.00447 -0.00204 -0.00838 0.01286 138 4XX -0.00239 -0.00240 0.00072 0.00102 -0.00229 139 4YY 0.00372 0.00769 -0.00059 -0.00373 0.01033 140 4ZZ -0.00301 -0.00347 0.00014 0.00022 -0.00214 141 4XY -0.00093 -0.00242 0.00011 -0.00031 0.00186 142 4XZ 0.00305 0.00336 -0.00019 0.00215 -0.00334 143 4YZ 0.00125 0.00256 -0.00009 0.00180 -0.00215 144 14 C 1S 0.01112 0.12383 -0.00143 0.02139 -0.01666 145 2S -0.02090 -0.24000 0.00195 -0.04441 0.03371 146 2PX 0.05209 -0.01856 -0.00996 0.01750 -0.08371 147 2PY -0.01249 -0.00644 0.00241 -0.00629 0.00168 148 2PZ -0.09373 -0.01781 -0.00586 -0.08382 0.12415 149 3S -0.02240 -0.20502 0.00935 -0.04139 0.03931 150 3PX 0.00829 -0.00453 -0.00047 0.00300 -0.02182 151 3PY -0.00893 -0.00113 0.00471 0.00029 0.00144 152 3PZ -0.01618 0.00331 -0.00342 -0.02818 0.02690 153 4XX 0.00488 0.00729 -0.00114 0.00468 -0.00497 154 4YY -0.00068 0.00066 0.00007 -0.00062 0.00076 155 4ZZ -0.00140 0.00084 -0.00008 -0.00135 0.00141 156 4XY 0.00412 -0.00285 -0.00111 0.00090 -0.00273 157 4XZ -0.00257 0.00642 0.00095 0.00056 0.00398 158 4YZ -0.00795 -0.00210 -0.00051 -0.00334 0.00518 159 15 C 1S 0.10624 0.06309 0.00400 0.04841 -0.06558 160 2S -0.20696 -0.12601 -0.00652 -0.09837 0.13426 161 2PX 0.01158 -0.01281 -0.00191 -0.00082 -0.01189 162 2PY -0.05073 0.07623 -0.00059 0.06205 -0.08472 163 2PZ 0.00457 0.05688 -0.00505 0.01324 -0.01743 164 3S -0.14963 -0.07283 -0.00993 -0.07471 0.09833 165 3PX 0.00587 0.00393 -0.00029 0.00550 -0.00891 166 3PY -0.00539 0.02419 -0.00029 0.01616 -0.03216 167 3PZ -0.00675 -0.00813 0.00103 -0.01108 0.01448 168 4XX 0.00960 0.00421 0.00026 0.00310 -0.00408 169 4YY -0.00497 0.00622 0.00001 0.00452 -0.00599 170 4ZZ 0.00307 -0.00540 0.00065 -0.00166 0.00266 171 4XY -0.00112 0.00055 -0.00029 -0.00066 0.00208 172 4XZ 0.00307 0.00449 0.00056 0.00306 -0.00270 173 4YZ 0.00148 -0.00491 -0.00012 -0.00013 0.00035 174 16 H 1S -0.06029 0.03699 -0.00391 0.04623 -0.06527 175 2S -0.01165 0.00209 -0.00250 0.01542 -0.02001 176 17 H 1S -0.00367 0.07762 0.00070 0.01218 -0.01481 177 2S -0.00327 0.01834 -0.00130 0.00153 -0.00673 178 18 H 1S 0.07128 0.04459 -0.00441 -0.04044 0.09038 179 2S 0.01671 0.01068 0.00244 -0.01908 0.03188 180 19 H 1S 0.07127 -0.04460 -0.00442 0.04043 -0.09038 181 2S 0.01671 -0.01068 0.00244 0.01908 -0.03188 182 20 H 1S -0.00369 -0.07761 0.00070 -0.01218 0.01481 183 2S -0.00328 -0.01834 -0.00130 -0.00153 0.00673 184 21 H 1S -0.06029 -0.03698 -0.00390 -0.04624 0.06527 185 2S -0.01165 -0.00208 -0.00250 -0.01542 0.02001 186 22 H 1S 0.06862 0.04510 -0.01416 -0.02871 0.08876 187 2S 0.01635 0.00859 -0.00340 -0.01101 0.03294 188 23 H 1S 0.06861 -0.04511 -0.01416 0.02871 -0.08876 189 2S 0.01635 -0.00859 -0.00340 0.01101 -0.03294 21 22 23 24 25 O O O O O Eigenvalues -- -0.58530 -0.52881 -0.50067 -0.49469 -0.47084 1 1 C 1S 0.00881 -0.00678 -0.00868 -0.00119 -0.00727 2 2S -0.01986 0.01227 0.01790 0.00210 0.01256 3 2PX 0.02565 0.05775 0.10460 0.03585 0.06159 4 2PY -0.04658 -0.21741 0.01418 -0.03979 -0.01432 5 2PZ 0.00648 -0.13485 0.04026 -0.00950 -0.05798 6 3S -0.00693 0.03720 0.02141 0.00965 0.02717 7 3PX 0.00770 0.01421 0.04870 0.01172 0.01897 8 3PY -0.01443 -0.06584 0.00111 -0.01151 -0.00622 9 3PZ 0.00647 -0.04206 0.02315 -0.00169 -0.00902 10 4XX 0.00114 -0.00186 -0.01051 -0.00124 -0.00206 11 4YY -0.00083 0.00059 0.00177 -0.00001 0.00143 12 4ZZ 0.00139 0.00465 0.00661 0.00176 0.00026 13 4XY 0.00099 0.00713 0.00139 0.00409 -0.00666 14 4XZ 0.00105 0.00106 -0.00002 0.00121 0.00358 15 4YZ -0.00077 -0.00165 0.00161 0.00003 0.00633 16 2 C 1S 0.00881 -0.00678 -0.00868 -0.00119 0.00727 17 2S -0.01985 0.01227 0.01790 0.00210 -0.01257 18 2PX 0.02565 0.05774 0.10460 0.03585 -0.06159 19 2PY 0.04658 0.21742 -0.01418 0.03979 -0.01433 20 2PZ 0.00648 -0.13483 0.04026 -0.00950 0.05797 21 3S -0.00692 0.03720 0.02141 0.00965 -0.02719 22 3PX 0.00770 0.01421 0.04870 0.01172 -0.01897 23 3PY 0.01443 0.06585 -0.00111 0.01151 -0.00623 24 3PZ 0.00647 -0.04205 0.02315 -0.00170 0.00902 25 4XX 0.00114 -0.00186 -0.01051 -0.00124 0.00206 26 4YY -0.00083 0.00059 0.00177 -0.00001 -0.00143 27 4ZZ 0.00139 0.00465 0.00661 0.00176 -0.00026 28 4XY -0.00099 -0.00713 -0.00139 -0.00409 -0.00666 29 4XZ 0.00105 0.00106 -0.00002 0.00121 -0.00358 30 4YZ 0.00077 0.00165 -0.00161 -0.00003 0.00633 31 3 C 1S -0.00169 -0.00800 0.00615 0.00293 0.00000 32 2S 0.00472 0.01626 -0.01167 -0.00569 0.00000 33 2PX -0.01516 -0.20376 0.11767 -0.04151 0.00001 34 2PY -0.00001 0.00000 -0.00001 0.00000 -0.09020 35 2PZ 0.01694 0.04307 0.34133 0.05988 -0.00002 36 3S 0.00453 0.03589 -0.02014 -0.00545 0.00000 37 3PX -0.00585 -0.06428 0.04601 -0.01730 0.00001 38 3PY 0.00000 0.00000 -0.00001 0.00000 -0.03621 39 3PZ 0.00686 0.01506 0.14603 0.02875 -0.00001 40 4XX -0.00153 -0.01013 -0.00514 -0.00337 0.00000 41 4YY 0.00064 -0.00082 0.00161 0.00071 0.00000 42 4ZZ 0.00033 0.00857 0.00266 0.00255 0.00000 43 4XY 0.00000 0.00000 0.00000 0.00000 -0.00457 44 4XZ 0.00154 0.01017 -0.00345 0.00243 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00103 46 4 O 1S -0.00714 -0.03099 -0.01200 -0.01354 0.00506 47 2S 0.01760 0.07135 0.02254 0.03028 -0.01042 48 2PX -0.00052 -0.02472 0.07657 0.00503 -0.09817 49 2PY -0.02708 -0.20563 -0.02753 -0.06724 0.01474 50 2PZ 0.01271 -0.03922 0.21114 0.02040 0.04800 51 3S 0.01961 0.10268 0.05786 0.05109 -0.02822 52 3PX -0.00319 -0.02180 0.04779 -0.00031 -0.05227 53 3PY -0.01600 -0.12145 -0.01153 -0.03848 0.00481 54 3PZ 0.00771 -0.01900 0.11915 0.01125 0.02384 55 4XX 0.00184 0.00787 0.00095 0.00238 0.00099 56 4YY -0.00183 -0.01783 -0.00217 -0.00564 0.00138 57 4ZZ 0.00042 0.00773 -0.00410 0.00093 0.00028 58 4XY -0.00171 -0.00926 0.00574 -0.00109 -0.00433 59 4XZ -0.00005 -0.00312 -0.00350 -0.00141 0.00055 60 4YZ 0.00200 0.00441 0.01510 0.00349 0.00187 61 5 H 1S 0.00733 0.12868 0.00787 0.01868 0.05128 62 2S 0.00510 0.08379 0.00861 0.00894 0.04020 63 6 H 1S 0.00734 0.12868 0.00787 0.01869 -0.05128 64 2S 0.00510 0.08380 0.00862 0.00894 -0.04019 65 7 H 1S 0.00258 0.07565 -0.15170 -0.00262 0.00000 66 2S 0.00192 0.05463 -0.09213 0.00219 0.00000 67 8 O 1S -0.00714 -0.03099 -0.01200 -0.01354 -0.00506 68 2S 0.01759 0.07135 0.02255 0.03028 0.01043 69 2PX -0.00051 -0.02473 0.07657 0.00502 0.09815 70 2PY 0.02708 0.20563 0.02751 0.06724 0.01473 71 2PZ 0.01271 -0.03920 0.21115 0.02041 -0.04800 72 3S 0.01960 0.10268 0.05786 0.05109 0.02823 73 3PX -0.00318 -0.02181 0.04779 -0.00031 0.05226 74 3PY 0.01600 0.12146 0.01152 0.03848 0.00480 75 3PZ 0.00771 -0.01899 0.11916 0.01126 -0.02385 76 4XX 0.00185 0.00787 0.00095 0.00238 -0.00100 77 4YY -0.00183 -0.01783 -0.00217 -0.00563 -0.00138 78 4ZZ 0.00042 0.00773 -0.00410 0.00093 -0.00028 79 4XY 0.00171 0.00926 -0.00574 0.00109 -0.00433 80 4XZ -0.00005 -0.00312 -0.00350 -0.00141 -0.00055 81 4YZ -0.00200 -0.00441 -0.01510 -0.00349 0.00187 82 9 H 1S 0.00990 0.05254 0.14692 0.03196 -0.00001 83 2S 0.00325 0.03539 0.09048 0.01697 -0.00001 84 10 C 1S 0.05845 -0.01090 0.00234 0.00660 -0.06596 85 2S -0.11866 0.02268 -0.00932 -0.01362 0.13624 86 2PX 0.03663 -0.02237 -0.04200 0.07603 -0.03238 87 2PY 0.13440 -0.00830 0.00191 -0.11882 0.07720 88 2PZ -0.11859 0.05576 0.02880 -0.16567 0.08021 89 3S -0.10308 0.02504 0.00652 -0.02696 0.13748 90 3PX 0.01229 -0.00563 -0.02136 0.02401 -0.01681 91 3PY 0.03056 -0.00052 -0.00086 -0.03598 0.02318 92 3PZ -0.03833 0.01641 0.00092 -0.05351 0.04403 93 4XX 0.00366 -0.00084 0.00057 -0.00135 -0.00217 94 4YY -0.00402 0.00138 -0.00071 -0.00242 -0.00884 95 4ZZ 0.00655 -0.00074 0.00003 -0.00106 0.00152 96 4XY 0.00205 -0.00071 0.00017 0.00033 -0.00428 97 4XZ 0.00165 -0.00084 0.00177 0.00235 -0.00539 98 4YZ -0.00623 0.00037 0.00056 0.00215 0.01050 99 11 C 1S -0.10190 0.01259 0.00927 0.00853 0.05985 100 2S 0.20613 -0.02571 -0.01813 -0.01988 -0.12489 101 2PX -0.00490 -0.01668 -0.03680 0.02441 0.01421 102 2PY 0.07417 0.02936 0.01537 -0.20212 -0.11461 103 2PZ -0.00522 -0.01582 -0.02812 0.00682 0.07697 104 3S 0.19023 -0.02821 -0.02649 -0.02166 -0.13288 105 3PX -0.00391 -0.01203 -0.01483 0.00524 0.00404 106 3PY 0.03168 0.01517 0.01012 -0.08185 -0.04980 107 3PZ -0.01128 -0.00517 -0.00890 -0.00108 0.04247 108 4XX -0.00824 0.00105 0.00208 0.00014 0.00658 109 4YY 0.00398 -0.00035 0.00028 -0.00246 -0.01070 110 4ZZ -0.00814 0.00227 0.00144 -0.00172 0.01136 111 4XY -0.00177 0.00014 0.00179 -0.00068 0.00208 112 4XZ 0.00022 0.00117 0.00056 0.00175 -0.00372 113 4YZ 0.00058 0.00018 0.00157 -0.00197 -0.00131 114 12 C 1S 0.04070 -0.00054 -0.00047 0.00253 -0.04567 115 2S -0.08231 0.00016 0.00106 -0.00467 0.09251 116 2PX -0.08042 -0.00160 -0.02411 -0.06516 0.09589 117 2PY 0.07814 0.00869 0.00007 -0.09213 0.03429 118 2PZ 0.07205 -0.04597 -0.05560 0.09587 -0.05654 119 3S -0.08200 0.00457 0.00442 -0.01097 0.12495 120 3PX -0.02709 -0.00453 -0.01236 -0.02439 0.04122 121 3PY 0.02368 0.00287 0.00032 -0.03840 0.01621 122 3PZ 0.02413 -0.01339 -0.02144 0.03971 -0.02436 123 4XX 0.00245 -0.00037 -0.00037 -0.00149 0.00161 124 4YY -0.00226 -0.00009 0.00018 -0.00060 -0.00757 125 4ZZ 0.00247 0.00067 0.00084 -0.00205 0.00237 126 4XY -0.00348 -0.00053 -0.00023 0.00268 0.00844 127 4XZ -0.00679 0.00193 0.00111 -0.00537 0.00582 128 4YZ 0.00369 -0.00018 -0.00057 -0.00210 -0.00562 129 13 C 1S 0.04070 -0.00055 -0.00047 0.00253 0.04567 130 2S -0.08231 0.00016 0.00106 -0.00467 -0.09251 131 2PX -0.08042 -0.00160 -0.02411 -0.06517 -0.09594 132 2PY -0.07816 -0.00868 -0.00007 0.09211 0.03429 133 2PZ 0.07203 -0.04597 -0.05560 0.09588 0.05650 134 3S -0.08201 0.00458 0.00442 -0.01096 -0.12495 135 3PX -0.02709 -0.00453 -0.01236 -0.02439 -0.04124 136 3PY -0.02369 -0.00287 -0.00032 0.03840 0.01621 137 3PZ 0.02413 -0.01339 -0.02144 0.03972 0.02435 138 4XX 0.00245 -0.00037 -0.00037 -0.00148 -0.00162 139 4YY -0.00226 -0.00009 0.00018 -0.00060 0.00757 140 4ZZ 0.00247 0.00067 0.00084 -0.00205 -0.00237 141 4XY 0.00348 0.00053 0.00023 -0.00268 0.00844 142 4XZ -0.00679 0.00193 0.00111 -0.00537 -0.00582 143 4YZ -0.00369 0.00018 0.00057 0.00210 -0.00562 144 14 C 1S -0.10190 0.01258 0.00927 0.00854 -0.05985 145 2S 0.20613 -0.02571 -0.01813 -0.01989 0.12489 146 2PX -0.00489 -0.01667 -0.03679 0.02440 -0.01421 147 2PY -0.07417 -0.02936 -0.01537 0.20213 -0.11459 148 2PZ -0.00523 -0.01584 -0.02813 0.00686 -0.07700 149 3S 0.19023 -0.02821 -0.02649 -0.02166 0.13288 150 3PX -0.00390 -0.01203 -0.01483 0.00523 -0.00404 151 3PY -0.03168 -0.01518 -0.01012 0.08185 -0.04978 152 3PZ -0.01128 -0.00518 -0.00890 -0.00106 -0.04249 153 4XX -0.00824 0.00105 0.00208 0.00014 -0.00658 154 4YY 0.00398 -0.00035 0.00028 -0.00246 0.01070 155 4ZZ -0.00814 0.00227 0.00144 -0.00172 -0.01136 156 4XY 0.00177 -0.00014 -0.00179 0.00068 0.00208 157 4XZ 0.00022 0.00117 0.00056 0.00175 0.00372 158 4YZ -0.00058 -0.00018 -0.00157 0.00197 -0.00131 159 15 C 1S 0.05845 -0.01090 0.00235 0.00660 0.06596 160 2S -0.11866 0.02267 -0.00933 -0.01362 -0.13624 161 2PX 0.03663 -0.02237 -0.04200 0.07603 0.03238 162 2PY -0.13438 0.00829 -0.00191 0.11885 0.07723 163 2PZ -0.11862 0.05576 0.02879 -0.16565 -0.08020 164 3S -0.10308 0.02504 0.00651 -0.02696 -0.13748 165 3PX 0.01230 -0.00563 -0.02136 0.02401 0.01681 166 3PY -0.03056 0.00052 0.00086 0.03599 0.02320 167 3PZ -0.03833 0.01641 0.00092 -0.05351 -0.04403 168 4XX 0.00366 -0.00084 0.00057 -0.00135 0.00217 169 4YY -0.00402 0.00138 -0.00071 -0.00242 0.00884 170 4ZZ 0.00655 -0.00074 0.00002 -0.00106 -0.00152 171 4XY -0.00205 0.00071 -0.00017 -0.00033 -0.00428 172 4XZ 0.00165 -0.00084 0.00177 0.00235 0.00539 173 4YZ 0.00623 -0.00036 -0.00056 -0.00215 0.01050 174 16 H 1S -0.06479 0.03302 0.01757 -0.11823 0.12807 175 2S -0.02650 0.02056 0.01786 -0.07923 0.07733 176 17 H 1S 0.11594 0.00614 0.00308 -0.11393 -0.12717 177 2S 0.05033 0.00713 0.00335 -0.06907 -0.07882 178 18 H 1S -0.04273 0.02717 0.03108 -0.06038 0.06687 179 2S -0.02045 0.02295 0.02214 -0.03980 0.03628 180 19 H 1S -0.04273 0.02717 0.03107 -0.06038 -0.06686 181 2S -0.02046 0.02294 0.02213 -0.03980 -0.03627 182 20 H 1S 0.11594 0.00614 0.00308 -0.11394 0.12717 183 2S 0.05033 0.00713 0.00335 -0.06907 0.07882 184 21 H 1S -0.06479 0.03301 0.01757 -0.11823 -0.12808 185 2S -0.02650 0.02056 0.01786 -0.07923 -0.07733 186 22 H 1S -0.04629 -0.00435 -0.01778 -0.03888 0.08953 187 2S -0.02120 -0.00130 -0.01085 -0.02752 0.05310 188 23 H 1S -0.04628 -0.00435 -0.01779 -0.03887 -0.08956 189 2S -0.02120 -0.00130 -0.01085 -0.02752 -0.05312 26 27 28 29 30 O O O O O Eigenvalues -- -0.45309 -0.45144 -0.43988 -0.40847 -0.39752 1 1 C 1S -0.01979 0.03905 0.00119 0.00036 -0.01173 2 2S 0.04498 -0.07667 -0.00592 -0.00409 0.01812 3 2PX -0.06109 -0.11941 0.07449 0.03509 -0.00408 4 2PY -0.00038 0.06445 0.00055 0.01628 -0.00908 5 2PZ 0.05018 0.19275 -0.20308 -0.02439 -0.02228 6 3S 0.05336 -0.13096 -0.00422 0.00473 0.08514 7 3PX -0.02731 -0.03244 0.01625 0.01110 -0.00798 8 3PY -0.00925 -0.00144 0.00219 0.00685 0.02886 9 3PZ 0.01705 0.05475 -0.07788 -0.00588 -0.00029 10 4XX -0.00564 0.00749 -0.00365 -0.00229 0.00063 11 4YY 0.00143 -0.00156 0.00209 0.00056 -0.00204 12 4ZZ -0.00053 -0.00159 0.00341 0.00105 -0.00098 13 4XY 0.00288 0.01268 -0.00595 0.00017 0.00031 14 4XZ -0.00215 -0.00508 0.00267 0.00240 -0.00030 15 4YZ -0.00245 -0.02117 0.00408 0.00022 0.00355 16 2 C 1S -0.01970 -0.03909 0.00119 0.00036 0.01173 17 2S 0.04480 0.07677 -0.00592 -0.00409 -0.01812 18 2PX -0.06137 0.11927 0.07449 0.03508 0.00408 19 2PY 0.00023 0.06447 -0.00053 -0.01628 -0.00908 20 2PZ 0.05063 -0.19263 -0.20307 -0.02440 0.02228 21 3S 0.05305 0.13108 -0.00422 0.00473 -0.08514 22 3PX -0.02739 0.03237 0.01625 0.01110 0.00799 23 3PY 0.00925 -0.00141 -0.00219 -0.00685 0.02887 24 3PZ 0.01718 -0.05471 -0.07788 -0.00588 0.00030 25 4XX -0.00563 -0.00751 -0.00365 -0.00229 -0.00063 26 4YY 0.00143 0.00156 0.00209 0.00056 0.00203 27 4ZZ -0.00053 0.00159 0.00341 0.00105 0.00098 28 4XY -0.00291 0.01267 0.00595 -0.00017 0.00031 29 4XZ -0.00216 0.00508 0.00267 0.00240 0.00030 30 4YZ 0.00250 -0.02116 -0.00408 -0.00022 0.00355 31 3 C 1S -0.01424 -0.00002 0.02213 0.00482 0.00000 32 2S 0.02958 0.00003 -0.04355 -0.01006 0.00000 33 2PX -0.14653 -0.00017 0.26765 0.01856 0.00000 34 2PY -0.00024 0.19256 0.00000 0.00000 -0.03018 35 2PZ 0.16280 0.00019 -0.02319 -0.04745 -0.00001 36 3S 0.03606 0.00004 -0.06235 -0.01053 0.00000 37 3PX -0.05678 -0.00006 0.09988 0.00633 0.00000 38 3PY -0.00010 0.08481 0.00000 0.00000 -0.00596 39 3PZ 0.06678 0.00008 -0.00882 -0.01647 0.00000 40 4XX 0.00216 0.00000 -0.01173 -0.00167 0.00000 41 4YY -0.01759 -0.00002 0.02779 0.00656 0.00000 42 4ZZ 0.01538 0.00002 -0.01589 -0.00455 0.00000 43 4XY -0.00001 0.00857 0.00000 0.00000 -0.00155 44 4XZ 0.00031 0.00000 -0.00579 0.00232 0.00000 45 4YZ 0.00000 -0.00422 0.00000 0.00000 0.00341 46 4 O 1S 0.01030 -0.01715 -0.01853 -0.00592 0.00589 47 2S -0.02384 0.03777 0.04255 0.01226 -0.00925 48 2PX 0.12894 0.22484 -0.19748 -0.04915 -0.02979 49 2PY -0.05483 -0.03588 0.03811 -0.01564 0.03585 50 2PZ -0.02741 -0.06197 0.09758 0.02822 -0.03721 51 3S -0.04585 0.08329 0.07702 0.02611 -0.03738 52 3PX 0.06842 0.11877 -0.10830 -0.02769 -0.02348 53 3PY -0.02776 -0.01195 0.01582 -0.01339 0.01958 54 3PZ -0.00902 -0.02664 0.05160 0.01717 -0.02470 55 4XX 0.00431 -0.00123 -0.00751 -0.00015 0.00020 56 4YY -0.00403 -0.00197 0.00336 -0.00144 0.00256 57 4ZZ 0.00298 -0.00339 -0.00022 -0.00108 0.00230 58 4XY 0.00538 0.00937 -0.00787 -0.00225 -0.00096 59 4XZ -0.00455 -0.00008 0.00245 0.00178 -0.00047 60 4YZ 0.00088 -0.00241 0.00408 0.00081 -0.00167 61 5 H 1S -0.01743 -0.17743 0.09699 0.00888 0.02031 62 2S -0.02810 -0.13974 0.07204 0.00583 0.01265 63 6 H 1S -0.01785 0.17739 0.09699 0.00889 -0.02031 64 2S -0.02843 0.13967 0.07204 0.00583 -0.01264 65 7 H 1S 0.03428 0.00004 -0.14784 0.00073 0.00000 66 2S 0.02399 0.00003 -0.10849 0.00332 0.00000 67 8 O 1S 0.01026 0.01717 -0.01853 -0.00592 -0.00589 68 2S -0.02375 -0.03783 0.04255 0.01226 0.00925 69 2PX 0.12947 -0.22455 -0.19746 -0.04915 0.02978 70 2PY 0.05493 -0.03577 -0.03813 0.01563 0.03585 71 2PZ -0.02756 0.06190 0.09758 0.02821 0.03721 72 3S -0.04565 -0.08340 0.07702 0.02610 0.03738 73 3PX 0.06870 -0.11862 -0.10829 -0.02769 0.02347 74 3PY 0.02779 -0.01190 -0.01583 0.01339 0.01957 75 3PZ -0.00908 0.02662 0.05160 0.01717 0.02471 76 4XX 0.00430 0.00124 -0.00751 -0.00015 -0.00020 77 4YY -0.00404 0.00197 0.00336 -0.00144 -0.00256 78 4ZZ 0.00297 0.00340 -0.00022 -0.00108 -0.00230 79 4XY -0.00540 0.00936 0.00787 0.00225 -0.00096 80 4XZ -0.00456 0.00007 0.00245 0.00178 0.00047 81 4YZ -0.00087 -0.00241 -0.00408 -0.00080 -0.00167 82 9 H 1S 0.12955 0.00014 -0.08178 -0.03916 0.00000 83 2S 0.09072 0.00010 -0.05727 -0.03256 0.00000 84 10 C 1S 0.00266 -0.02760 -0.00239 -0.00474 0.00868 85 2S -0.00838 0.05879 0.00484 0.00976 -0.02299 86 2PX 0.02556 -0.02537 0.03925 0.00435 -0.08808 87 2PY 0.06123 0.03375 0.00964 0.19372 0.01381 88 2PZ -0.00841 0.04835 0.01799 -0.17667 0.17985 89 3S -0.00210 0.06823 0.00680 0.01262 -0.02900 90 3PX 0.01169 -0.00262 0.02087 -0.00357 -0.02637 91 3PY 0.01737 0.01955 0.00209 0.07022 0.03521 92 3PZ -0.00442 0.01265 0.00707 -0.06669 0.03024 93 4XX 0.00169 -0.00125 0.00048 -0.00201 0.00013 94 4YY -0.00107 -0.00304 0.00031 -0.00312 0.00826 95 4ZZ -0.00047 0.00162 -0.00092 0.00348 -0.00319 96 4XY -0.00028 -0.00283 -0.00068 0.00043 -0.00635 97 4XZ -0.00142 -0.00227 -0.00273 0.00258 0.00098 98 4YZ -0.00132 0.00533 -0.00071 -0.00130 0.01036 99 11 C 1S 0.00336 0.02705 -0.00008 0.00108 0.02666 100 2S -0.00569 -0.05463 0.00165 -0.00168 -0.06291 101 2PX 0.02759 -0.02376 0.05385 -0.14844 -0.07353 102 2PY 0.02375 -0.03897 0.01060 -0.03118 0.26787 103 2PZ 0.07847 0.01330 0.02384 0.23027 -0.06601 104 3S -0.01467 -0.07824 -0.00698 -0.01373 -0.08740 105 3PX 0.01389 -0.00669 0.02309 -0.05359 -0.02931 106 3PY 0.01521 -0.00838 0.01335 -0.00548 0.07495 107 3PZ 0.03218 -0.00697 0.01205 0.07457 -0.03258 108 4XX 0.00548 0.00124 0.00108 -0.00397 -0.00213 109 4YY -0.00119 -0.00413 -0.00074 -0.00235 0.01220 110 4ZZ -0.00334 0.00632 -0.00121 0.00492 -0.00201 111 4XY -0.00146 0.00120 -0.00204 0.00381 0.00061 112 4XZ 0.00088 0.00060 0.00109 0.00210 0.00072 113 4YZ -0.00202 0.00008 -0.00107 -0.00380 0.00285 114 12 C 1S -0.00078 -0.00722 0.00408 0.00367 0.00875 115 2S 0.00132 0.01265 -0.00954 -0.00881 -0.01490 116 2PX 0.20970 0.00677 0.09191 0.11210 0.02585 117 2PY -0.00035 0.00190 0.02190 -0.13295 0.01534 118 2PZ 0.13925 -0.05252 0.10838 -0.16391 -0.14478 119 3S 0.00478 0.02627 -0.00948 -0.02054 -0.06318 120 3PX 0.09157 -0.00706 0.03531 0.04794 0.00821 121 3PY 0.00056 -0.00937 0.00667 -0.06656 0.03970 122 3PZ 0.06149 -0.01879 0.05196 -0.07195 -0.06738 123 4XX 0.00866 -0.00045 0.00514 -0.00223 -0.00290 124 4YY 0.00004 -0.00202 -0.00104 0.00154 0.00510 125 4ZZ -0.00720 0.00099 -0.00403 0.00299 -0.00019 126 4XY 0.00157 0.00106 0.00049 0.00198 -0.00143 127 4XZ 0.00239 0.00245 0.00065 0.00408 0.00623 128 4YZ 0.00202 -0.00436 0.00163 -0.00189 -0.00696 129 13 C 1S -0.00079 0.00722 0.00408 0.00367 -0.00875 130 2S 0.00133 -0.01265 -0.00954 -0.00881 0.01489 131 2PX 0.20968 -0.00629 0.09191 0.11209 -0.02583 132 2PY 0.00036 0.00188 -0.02190 0.13297 0.01529 133 2PZ 0.13916 0.05284 0.10839 -0.16391 0.14475 134 3S 0.00481 -0.02626 -0.00949 -0.02053 0.06317 135 3PX 0.09155 0.00727 0.03531 0.04793 -0.00821 136 3PY -0.00053 -0.00938 -0.00667 0.06657 0.03968 137 3PZ 0.06146 0.01893 0.05196 -0.07195 0.06737 138 4XX 0.00866 0.00047 0.00514 -0.00223 0.00291 139 4YY 0.00004 0.00202 -0.00104 0.00154 -0.00510 140 4ZZ -0.00720 -0.00100 -0.00403 0.00299 0.00019 141 4XY -0.00157 0.00105 -0.00049 -0.00198 -0.00143 142 4XZ 0.00240 -0.00244 0.00065 0.00408 -0.00623 143 4YZ -0.00201 -0.00437 -0.00163 0.00189 -0.00696 144 14 C 1S 0.00341 -0.02704 -0.00008 0.00108 -0.02666 145 2S -0.00579 0.05462 0.00165 -0.00168 0.06290 146 2PX 0.02752 0.02382 0.05384 -0.14846 0.07350 147 2PY -0.02370 -0.03902 -0.01060 0.03112 0.26785 148 2PZ 0.07849 -0.01311 0.02384 0.23026 0.06608 149 3S -0.01482 0.07820 -0.00698 -0.01374 0.08740 150 3PX 0.01387 0.00673 0.02309 -0.05359 0.02930 151 3PY -0.01521 -0.00842 -0.01335 0.00546 0.07494 152 3PZ 0.03216 0.00705 0.01204 0.07457 0.03260 153 4XX 0.00549 -0.00123 0.00108 -0.00397 0.00213 154 4YY -0.00120 0.00413 -0.00074 -0.00235 -0.01220 155 4ZZ -0.00333 -0.00633 -0.00121 0.00492 0.00201 156 4XY 0.00146 0.00121 0.00204 -0.00381 0.00061 157 4XZ 0.00089 -0.00059 0.00109 0.00210 -0.00072 158 4YZ 0.00202 0.00009 0.00107 0.00380 0.00285 159 15 C 1S 0.00261 0.02760 -0.00239 -0.00474 -0.00869 160 2S -0.00827 -0.05881 0.00484 0.00976 0.02299 161 2PX 0.02551 0.02543 0.03925 0.00434 0.08808 162 2PY -0.06129 0.03361 -0.00964 -0.19369 0.01386 163 2PZ -0.00833 -0.04837 0.01799 -0.17668 -0.17988 164 3S -0.00197 -0.06823 0.00679 0.01263 0.02900 165 3PX 0.01168 0.00265 0.02087 -0.00357 0.02637 166 3PY -0.01741 0.01951 -0.00209 -0.07021 0.03522 167 3PZ -0.00440 -0.01266 0.00707 -0.06671 -0.03024 168 4XX 0.00169 0.00125 0.00048 -0.00202 -0.00013 169 4YY -0.00108 0.00304 0.00031 -0.00312 -0.00826 170 4ZZ -0.00046 -0.00162 -0.00092 0.00348 0.00319 171 4XY 0.00028 -0.00283 0.00068 -0.00043 -0.00635 172 4XZ -0.00142 0.00227 -0.00273 0.00258 -0.00098 173 4YZ 0.00131 0.00534 0.00071 0.00129 0.01035 174 16 H 1S 0.00450 0.06595 0.00441 -0.02100 0.10616 175 2S 0.00662 0.04510 0.00461 -0.02019 0.10360 176 17 H 1S 0.00530 -0.04743 0.00170 -0.01723 0.14877 177 2S 0.00401 -0.03228 -0.00269 -0.01648 0.15130 178 18 H 1S -0.09807 0.04050 -0.06514 0.05050 0.07714 179 2S -0.07766 0.03785 -0.04256 0.04870 0.06554 180 19 H 1S -0.09799 -0.04073 -0.06514 0.05052 -0.07713 181 2S -0.07758 -0.03802 -0.04257 0.04871 -0.06552 182 20 H 1S 0.00522 0.04744 0.00170 -0.01723 -0.14877 183 2S 0.00395 0.03229 -0.00269 -0.01648 -0.15130 184 21 H 1S 0.00462 -0.06595 0.00441 -0.02099 -0.10618 185 2S 0.00671 -0.04509 0.00461 -0.02018 -0.10362 186 22 H 1S 0.13166 0.00351 0.06573 0.00963 -0.01168 187 2S 0.09847 0.00543 0.05391 0.01198 -0.00671 188 23 H 1S 0.13165 -0.00321 0.06574 0.00962 0.01170 189 2S 0.09847 -0.00520 0.05391 0.01197 0.00673 31 32 33 34 35 O O O O O Eigenvalues -- -0.38848 -0.37953 -0.36268 -0.35121 -0.34583 1 1 C 1S 0.00535 -0.01143 -0.01223 -0.01540 -0.00447 2 2S -0.01189 0.02438 0.02566 0.03481 0.01597 3 2PX -0.06323 0.11948 -0.09582 -0.08548 -0.14537 4 2PY -0.11732 0.23044 -0.00449 0.02353 0.18101 5 2PZ -0.02587 0.04970 -0.04154 0.07332 -0.07954 6 3S -0.02484 0.04560 0.05273 0.07157 0.00432 7 3PX -0.03416 0.05476 -0.06074 -0.00090 -0.08094 8 3PY -0.02756 0.05933 0.01998 0.06544 0.05891 9 3PZ -0.00510 0.02495 -0.02720 0.00320 -0.06469 10 4XX 0.00331 -0.00954 0.00702 0.01075 0.00084 11 4YY -0.00439 0.00880 -0.00348 -0.01020 0.00549 12 4ZZ 0.00385 -0.00627 -0.00549 -0.00160 -0.01066 13 4XY -0.00344 0.00531 0.00403 -0.00058 0.00014 14 4XZ -0.00492 0.00892 -0.00345 -0.00606 0.00358 15 4YZ 0.00192 -0.00362 0.00541 -0.00105 -0.00793 16 2 C 1S 0.00535 -0.01143 0.01223 0.01540 -0.00448 17 2S -0.01189 0.02438 -0.02567 -0.03481 0.01598 18 2PX -0.06323 0.11948 0.09581 0.08544 -0.14540 19 2PY 0.11732 -0.23044 -0.00451 0.02350 -0.18102 20 2PZ -0.02586 0.04967 0.04155 -0.07335 -0.07953 21 3S -0.02483 0.04560 -0.05274 -0.07157 0.00435 22 3PX -0.03416 0.05475 0.06073 0.00087 -0.08094 23 3PY 0.02756 -0.05933 0.01997 0.06542 -0.05893 24 3PZ -0.00510 0.02494 0.02720 -0.00322 -0.06470 25 4XX 0.00331 -0.00954 -0.00703 -0.01075 0.00084 26 4YY -0.00439 0.00880 0.00348 0.01020 0.00548 27 4ZZ 0.00385 -0.00627 0.00549 0.00160 -0.01066 28 4XY 0.00345 -0.00532 0.00403 -0.00058 -0.00014 29 4XZ -0.00492 0.00892 0.00345 0.00606 0.00358 30 4YZ -0.00192 0.00362 0.00541 -0.00105 0.00793 31 3 C 1S -0.01611 0.02995 0.00000 0.00000 0.02288 32 2S 0.04094 -0.07406 0.00000 -0.00001 -0.05582 33 2PX 0.07062 -0.12802 -0.00001 0.00000 -0.03506 34 2PY 0.00000 0.00000 -0.07708 -0.13505 0.00002 35 2PZ 0.05922 -0.10331 0.00000 0.00002 0.20386 36 3S 0.04025 -0.07740 0.00000 -0.00001 -0.07808 37 3PX 0.02306 -0.05228 0.00000 0.00000 -0.03715 38 3PY 0.00000 0.00000 -0.00727 0.00273 0.00000 39 3PZ 0.02010 -0.02756 0.00000 0.00001 0.05911 40 4XX 0.00215 -0.00364 0.00000 0.00000 -0.01381 41 4YY -0.00707 0.01380 0.00000 0.00000 0.00258 42 4ZZ 0.00453 -0.00872 0.00000 0.00000 0.01489 43 4XY 0.00000 0.00000 -0.00317 -0.01642 0.00000 44 4XZ -0.00715 0.01400 0.00000 0.00000 -0.01268 45 4YZ 0.00000 0.00000 0.01704 0.01360 0.00000 46 4 O 1S 0.02073 -0.03798 0.01955 0.03007 -0.01777 47 2S -0.04034 0.07512 -0.03666 -0.06084 0.03512 48 2PX 0.05049 -0.09534 -0.08883 0.02274 -0.07141 49 2PY 0.10221 -0.19214 0.14272 0.33784 -0.12046 50 2PZ -0.04936 0.11011 -0.22317 -0.13254 -0.10195 51 3S -0.10029 0.17949 -0.09442 -0.10698 0.08853 52 3PX 0.03132 -0.06235 -0.06565 0.01543 -0.05533 53 3PY 0.06382 -0.12123 0.09046 0.22445 -0.07446 54 3PZ -0.02977 0.06855 -0.14871 -0.09403 -0.06637 55 4XX -0.00132 0.00310 -0.00290 -0.00206 -0.00656 56 4YY 0.00801 -0.01402 0.00757 0.01587 -0.00858 57 4ZZ 0.00360 -0.00685 0.00645 0.00015 0.00655 58 4XY 0.00077 -0.00114 -0.00274 0.00341 0.00057 59 4XZ -0.00198 0.00373 -0.00015 -0.00069 -0.00437 60 4YZ -0.00086 0.00260 -0.01084 -0.01030 -0.00481 61 5 H 1S 0.04806 -0.08530 0.01208 -0.03995 -0.06526 62 2S 0.05595 -0.08497 0.00479 -0.03842 -0.07197 63 6 H 1S 0.04806 -0.08530 -0.01209 0.03994 -0.06527 64 2S 0.05595 -0.08497 -0.00480 0.03840 -0.07198 65 7 H 1S -0.03782 0.06857 0.00000 -0.00002 -0.09776 66 2S -0.04373 0.07978 0.00000 -0.00002 -0.09746 67 8 O 1S 0.02073 -0.03798 -0.01955 -0.03008 -0.01776 68 2S -0.04034 0.07512 0.03667 0.06084 0.03509 69 2PX 0.05049 -0.09535 0.08883 -0.02278 -0.07141 70 2PY -0.10221 0.19214 0.14272 0.33785 0.12034 71 2PZ -0.04937 0.11011 0.22317 0.13254 -0.10198 72 3S -0.10030 0.17949 0.09444 0.10700 0.08849 73 3PX 0.03132 -0.06236 0.06564 -0.01546 -0.05533 74 3PY -0.06382 0.12123 0.09046 0.22445 0.07439 75 3PZ -0.02977 0.06855 0.14871 0.09403 -0.06639 76 4XX -0.00132 0.00310 0.00290 0.00206 -0.00656 77 4YY 0.00801 -0.01402 -0.00757 -0.01587 -0.00857 78 4ZZ 0.00360 -0.00685 -0.00645 -0.00015 0.00655 79 4XY -0.00077 0.00114 -0.00274 0.00341 -0.00057 80 4XZ -0.00198 0.00373 0.00015 0.00069 -0.00437 81 4YZ 0.00086 -0.00260 -0.01084 -0.01030 0.00481 82 9 H 1S 0.04901 -0.09035 0.00000 0.00002 0.12354 83 2S 0.03185 -0.07218 0.00000 0.00002 0.13817 84 10 C 1S -0.01886 -0.00414 -0.00775 0.00531 -0.00793 85 2S 0.04386 0.00811 0.00950 -0.01311 0.01959 86 2PX 0.07045 -0.00821 -0.01643 0.01407 0.12817 87 2PY -0.18930 -0.11941 -0.00621 -0.00273 0.08250 88 2PZ -0.12423 -0.03040 -0.05111 0.00118 0.01028 89 3S 0.06861 0.01613 0.08490 -0.02828 0.00542 90 3PX 0.02686 -0.01341 -0.00882 -0.00309 0.07368 91 3PY -0.05033 -0.03669 -0.02488 -0.00255 0.02835 92 3PZ -0.04608 -0.01361 -0.05042 0.00498 0.01503 93 4XX -0.00332 -0.00156 -0.00136 0.00070 0.00004 94 4YY 0.00574 0.00241 -0.00511 0.00114 -0.00060 95 4ZZ -0.00860 -0.00451 0.00298 -0.00221 -0.00022 96 4XY 0.00132 0.00129 -0.00157 0.00125 -0.00261 97 4XZ 0.00520 0.00401 0.00151 -0.00003 -0.00541 98 4YZ -0.00236 -0.00049 -0.00159 -0.00081 -0.00109 99 11 C 1S 0.00040 0.00306 -0.00569 0.00693 -0.00639 100 2S -0.00151 -0.00762 0.01715 -0.01696 0.01794 101 2PX -0.01288 -0.01470 -0.06017 0.02591 0.10669 102 2PY 0.02938 0.03150 -0.12612 0.03703 -0.02176 103 2PZ 0.03668 -0.02875 -0.04280 0.03901 0.07081 104 3S -0.00558 -0.00986 -0.02464 -0.02035 0.00487 105 3PX 0.01383 -0.00445 -0.05211 0.01220 0.05843 106 3PY 0.01081 -0.00059 -0.01706 0.00497 -0.00418 107 3PZ -0.01706 -0.01245 -0.03426 0.03623 0.05150 108 4XX -0.00089 0.00260 -0.00103 0.00418 -0.00645 109 4YY 0.00270 0.00228 -0.00597 0.00112 -0.00452 110 4ZZ -0.00052 -0.00269 0.00612 -0.00420 0.00654 111 4XY 0.00422 0.00450 0.00171 -0.00076 -0.00246 112 4XZ 0.00120 -0.00003 -0.00078 0.00185 -0.00081 113 4YZ -0.01047 -0.00385 0.00075 -0.00121 -0.00122 114 12 C 1S 0.01875 0.01128 -0.00689 0.00206 -0.00178 115 2S -0.04059 -0.02637 0.00956 -0.00663 0.00152 116 2PX 0.08384 0.07655 -0.16735 0.14283 -0.08430 117 2PY 0.19845 0.13948 -0.00465 -0.00124 0.06106 118 2PZ -0.12409 -0.02473 -0.11387 0.10271 -0.05865 119 3S -0.07966 -0.03239 0.06563 -0.00137 0.01408 120 3PX 0.05122 0.03447 -0.08259 0.05866 -0.04110 121 3PY 0.08015 0.06424 -0.02462 0.00646 0.03076 122 3PZ -0.05446 -0.01565 -0.03586 0.05103 -0.02361 123 4XX 0.00294 0.00629 -0.00588 0.00631 -0.00833 124 4YY -0.00641 -0.00441 -0.00262 0.00033 -0.00195 125 4ZZ 0.00881 0.00108 0.00715 -0.00654 0.00993 126 4XY -0.00006 0.00016 -0.00961 0.00886 -0.00010 127 4XZ 0.00390 0.00251 -0.00326 0.00188 -0.00152 128 4YZ -0.00093 0.00023 -0.00929 0.00753 -0.00009 129 13 C 1S 0.01875 0.01128 0.00689 -0.00206 -0.00178 130 2S -0.04059 -0.02637 -0.00956 0.00664 0.00151 131 2PX 0.08385 0.07654 0.16735 -0.14286 -0.08430 132 2PY -0.19844 -0.13947 -0.00469 -0.00122 -0.06106 133 2PZ -0.12415 -0.02477 0.11386 -0.10273 -0.05863 134 3S -0.07966 -0.03240 -0.06563 0.00138 0.01410 135 3PX 0.05122 0.03447 0.08259 -0.05867 -0.04111 136 3PY -0.08014 -0.06424 -0.02463 0.00647 -0.03076 137 3PZ -0.05447 -0.01567 0.03585 -0.05104 -0.02359 138 4XX 0.00294 0.00628 0.00588 -0.00631 -0.00833 139 4YY -0.00641 -0.00441 0.00262 -0.00033 -0.00195 140 4ZZ 0.00881 0.00108 -0.00715 0.00654 0.00992 141 4XY 0.00007 -0.00015 -0.00960 0.00886 0.00010 142 4XZ 0.00390 0.00251 0.00326 -0.00188 -0.00152 143 4YZ 0.00093 -0.00023 -0.00929 0.00753 0.00009 144 14 C 1S 0.00040 0.00306 0.00570 -0.00693 -0.00639 145 2S -0.00152 -0.00762 -0.01715 0.01697 0.01794 146 2PX -0.01289 -0.01471 0.06018 -0.02588 0.10672 147 2PY -0.02941 -0.03151 -0.12612 0.03704 0.02177 148 2PZ 0.03666 -0.02876 0.04281 -0.03899 0.07081 149 3S -0.00561 -0.00987 0.02463 0.02036 0.00485 150 3PX 0.01383 -0.00446 0.05211 -0.01218 0.05844 151 3PY -0.01082 0.00059 -0.01707 0.00498 0.00417 152 3PZ -0.01706 -0.01246 0.03427 -0.03622 0.05150 153 4XX -0.00089 0.00260 0.00103 -0.00418 -0.00645 154 4YY 0.00270 0.00228 0.00597 -0.00112 -0.00453 155 4ZZ -0.00052 -0.00268 -0.00612 0.00420 0.00654 156 4XY -0.00422 -0.00450 0.00171 -0.00075 0.00246 157 4XZ 0.00120 -0.00003 0.00079 -0.00185 -0.00081 158 4YZ 0.01047 0.00385 0.00076 -0.00121 0.00122 159 15 C 1S -0.01886 -0.00414 0.00775 -0.00531 -0.00793 160 2S 0.04386 0.00811 -0.00949 0.01311 0.01959 161 2PX 0.07043 -0.00822 0.01646 -0.01404 0.12817 162 2PY 0.18932 0.11941 -0.00623 -0.00274 -0.08250 163 2PZ -0.12417 -0.03037 0.05109 -0.00117 0.01027 164 3S 0.06862 0.01613 -0.08490 0.02828 0.00544 165 3PX 0.02686 -0.01341 0.00884 0.00311 0.07368 166 3PY 0.05033 0.03669 -0.02489 -0.00255 -0.02834 167 3PZ -0.04607 -0.01361 0.05041 -0.00497 0.01502 168 4XX -0.00332 -0.00156 0.00136 -0.00070 0.00004 169 4YY 0.00574 0.00241 0.00511 -0.00114 -0.00060 170 4ZZ -0.00860 -0.00451 -0.00298 0.00221 -0.00022 171 4XY -0.00132 -0.00129 -0.00157 0.00125 0.00261 172 4XZ 0.00520 0.00401 -0.00151 0.00003 -0.00541 173 4YZ 0.00237 0.00049 -0.00159 -0.00081 0.00109 174 16 H 1S -0.12059 -0.04952 -0.01526 -0.01176 0.01042 175 2S -0.11932 -0.04876 -0.00095 -0.00445 0.01303 176 17 H 1S 0.02108 0.01891 -0.07141 0.01551 -0.02341 177 2S 0.02025 0.02648 -0.07458 0.03196 -0.02576 178 18 H 1S 0.09373 0.02345 0.10140 -0.08842 0.06537 179 2S 0.09644 0.01926 0.09999 -0.08316 0.06320 180 19 H 1S 0.09376 0.02347 -0.10137 0.08842 0.06535 181 2S 0.09647 0.01928 -0.09996 0.08316 0.06318 182 20 H 1S 0.02109 0.01892 0.07140 -0.01550 -0.02342 183 2S 0.02027 0.02649 0.07458 -0.03195 -0.02577 184 21 H 1S -0.12057 -0.04952 0.01525 0.01176 0.01043 185 2S -0.11930 -0.04876 0.00094 0.00445 0.01304 186 22 H 1S 0.05303 0.06153 -0.11862 0.10631 -0.05198 187 2S 0.04641 0.06014 -0.11151 0.10343 -0.05396 188 23 H 1S 0.05301 0.06151 0.11863 -0.10634 -0.05198 189 2S 0.04639 0.06012 0.11152 -0.10346 -0.05395 36 37 38 39 40 O O O O O Eigenvalues -- -0.32850 -0.32252 -0.31725 -0.27465 -0.19648 1 1 C 1S -0.02810 -0.00910 0.00005 -0.00738 0.00322 2 2S 0.06339 0.02178 0.00184 0.02132 -0.00201 3 2PX 0.06180 0.02463 -0.05204 0.06480 -0.06600 4 2PY -0.01672 -0.00570 0.06286 -0.02473 -0.00228 5 2PZ 0.04907 0.01978 -0.03168 0.02877 -0.08600 6 3S 0.09262 0.02120 0.00416 -0.00226 -0.02126 7 3PX 0.07203 0.04388 -0.03753 0.05214 -0.05119 8 3PY 0.01198 -0.00502 0.01515 -0.00543 0.04375 9 3PZ 0.01566 -0.01211 -0.02391 0.01898 -0.05137 10 4XX -0.00886 -0.00254 0.00148 -0.01078 -0.00787 11 4YY -0.00599 -0.00210 0.00266 0.00081 0.00127 12 4ZZ 0.01154 0.00354 -0.00436 0.00764 0.00486 13 4XY -0.01009 -0.00336 -0.00113 -0.00056 0.00409 14 4XZ -0.00530 -0.00188 0.00245 -0.00767 -0.00825 15 4YZ 0.00130 0.00022 -0.00304 0.00174 0.00642 16 2 C 1S 0.02811 0.00910 0.00005 -0.00738 -0.00321 17 2S -0.06339 -0.02178 0.00184 0.02131 0.00199 18 2PX -0.06182 -0.02461 -0.05205 0.06480 0.06587 19 2PY -0.01673 -0.00567 -0.06286 0.02473 -0.00231 20 2PZ -0.04908 -0.01976 -0.03170 0.02877 0.08587 21 3S -0.09262 -0.02121 0.00417 -0.00226 0.02121 22 3PX -0.07204 -0.04386 -0.03754 0.05214 0.05109 23 3PY 0.01198 -0.00502 -0.01515 0.00543 0.04371 24 3PZ -0.01567 0.01212 -0.02391 0.01898 0.05129 25 4XX 0.00886 0.00254 0.00148 -0.01078 0.00786 26 4YY 0.00599 0.00210 0.00266 0.00081 -0.00127 27 4ZZ -0.01154 -0.00354 -0.00436 0.00764 -0.00485 28 4XY -0.01009 -0.00336 0.00113 0.00056 0.00410 29 4XZ 0.00530 0.00188 0.00245 -0.00767 0.00825 30 4YZ 0.00131 0.00022 0.00304 -0.00174 0.00643 31 3 C 1S 0.00000 0.00000 0.00621 -0.00533 0.00000 32 2S 0.00000 0.00000 -0.01556 0.01467 -0.00001 33 2PX 0.00001 0.00000 0.00821 -0.05050 -0.00002 34 2PY -0.10184 -0.01912 0.00000 0.00000 0.03315 35 2PZ 0.00001 -0.00002 0.06961 -0.11482 -0.00002 36 3S 0.00000 0.00000 -0.01864 0.01754 -0.00001 37 3PX 0.00000 0.00000 -0.00535 -0.01871 0.00001 38 3PY -0.00616 0.00208 0.00000 0.00000 0.04267 39 3PZ 0.00000 0.00000 0.01476 -0.00287 0.00001 40 4XX 0.00000 0.00000 -0.00654 0.01594 0.00001 41 4YY 0.00000 0.00000 0.00247 -0.00582 0.00000 42 4ZZ 0.00000 0.00000 0.00532 -0.01159 0.00000 43 4XY -0.01949 -0.00618 0.00000 0.00000 -0.00524 44 4XZ 0.00000 0.00000 -0.00635 0.01627 0.00001 45 4YZ -0.01355 -0.00624 0.00000 0.00000 -0.00904 46 4 O 1S 0.01644 0.00226 -0.00292 -0.00339 -0.00913 47 2S -0.03498 -0.00673 0.00601 0.00398 0.02173 48 2PX 0.15359 0.06805 -0.05097 0.14022 0.09565 49 2PY 0.22685 0.06401 -0.03334 0.02712 0.02449 50 2PZ 0.26610 0.10482 -0.05281 0.18925 0.11230 51 3S -0.05340 0.00879 0.01072 0.03364 0.05327 52 3PX 0.11546 0.05275 -0.03704 0.10662 0.06932 53 3PY 0.15539 0.04734 -0.02443 0.03023 0.02286 54 3PZ 0.18572 0.07158 -0.03389 0.12847 0.09029 55 4XX 0.00406 0.00093 -0.00257 0.00356 -0.00381 56 4YY 0.01146 0.00267 -0.00179 0.00220 0.00203 57 4ZZ -0.00766 -0.00327 0.00290 -0.00935 0.00004 58 4XY 0.00718 0.00338 -0.00106 0.00469 0.00351 59 4XZ -0.00203 -0.00108 -0.00090 -0.00013 -0.00308 60 4YZ 0.00739 0.00312 -0.00243 0.00626 0.00414 61 5 H 1S 0.03695 0.00890 -0.02567 0.03207 0.05697 62 2S 0.01608 -0.01067 -0.03065 0.04243 0.09867 63 6 H 1S -0.03695 -0.00889 -0.02567 0.03206 -0.05694 64 2S -0.01608 0.01068 -0.03065 0.04243 -0.09862 65 7 H 1S -0.00001 0.00001 -0.04780 0.11328 0.00004 66 2S -0.00001 0.00001 -0.05321 0.13723 0.00007 67 8 O 1S -0.01644 -0.00226 -0.00292 -0.00339 0.00913 68 2S 0.03498 0.00672 0.00601 0.00398 -0.02173 69 2PX -0.15361 -0.06802 -0.05099 0.14022 -0.09555 70 2PY 0.22687 0.06400 0.03335 -0.02713 0.02451 71 2PZ -0.26609 -0.10479 -0.05284 0.18923 -0.11214 72 3S 0.05341 -0.00879 0.01071 0.03364 -0.05327 73 3PX -0.11548 -0.05273 -0.03706 0.10662 -0.06923 74 3PY 0.15540 0.04733 0.02444 -0.03024 0.02288 75 3PZ -0.18571 -0.07156 -0.03391 0.12846 -0.09016 76 4XX -0.00406 -0.00093 -0.00257 0.00356 0.00381 77 4YY -0.01146 -0.00267 -0.00179 0.00220 -0.00203 78 4ZZ 0.00766 0.00327 0.00291 -0.00935 -0.00004 79 4XY 0.00718 0.00338 0.00107 -0.00469 0.00351 80 4XZ 0.00203 0.00108 -0.00090 -0.00013 0.00308 81 4YZ 0.00738 0.00312 0.00243 -0.00626 0.00414 82 9 H 1S 0.00001 -0.00001 0.04452 -0.09021 -0.00002 83 2S 0.00001 -0.00001 0.05238 -0.13790 -0.00003 84 10 C 1S -0.00563 -0.00160 -0.00440 -0.00855 0.00570 85 2S 0.01408 0.01627 0.01510 0.00723 -0.01367 86 2PX 0.00122 0.05412 0.01188 0.26888 -0.18939 87 2PY 0.00340 0.01739 -0.21747 0.00211 -0.02687 88 2PZ 0.05885 -0.19801 0.01164 0.08591 -0.03639 89 3S 0.01898 -0.08278 0.00604 0.06364 0.02569 90 3PX 0.01691 0.00127 0.00419 0.17110 -0.12810 91 3PY 0.00371 0.04638 -0.07765 0.00613 -0.05782 92 3PZ 0.01861 -0.02452 0.01528 0.04378 -0.05455 93 4XX -0.00034 -0.00214 -0.00235 0.00031 -0.00260 94 4YY -0.00066 0.00100 0.00965 0.00104 -0.00290 95 4ZZ 0.00205 -0.00376 -0.00974 -0.00653 0.00803 96 4XY -0.00032 0.00446 0.00060 -0.00713 -0.01347 97 4XZ -0.00394 0.00629 0.00529 -0.00253 0.00677 98 4YZ 0.00522 -0.01617 -0.00470 -0.00518 -0.00061 99 11 C 1S -0.00832 -0.00157 0.00140 0.01294 -0.01335 100 2S 0.02230 -0.00063 -0.00836 -0.02454 0.02678 101 2PX 0.07221 -0.14643 -0.06574 0.10773 -0.26160 102 2PY -0.02891 0.02818 0.19003 0.06198 -0.08043 103 2PZ -0.07301 0.21878 -0.01468 0.07732 -0.14974 104 3S 0.00855 0.04621 0.01565 -0.06979 0.05648 105 3PX 0.03471 -0.05225 -0.02140 0.06686 -0.21430 106 3PY -0.00701 -0.02673 0.05530 0.06265 -0.03312 107 3PZ -0.03580 0.08815 -0.01112 0.04910 -0.11546 108 4XX -0.00404 -0.00652 -0.00654 -0.00236 0.00661 109 4YY -0.00127 0.00334 0.02105 0.00185 -0.00182 110 4ZZ 0.00332 0.00152 -0.01063 0.00495 -0.00610 111 4XY -0.00194 0.00373 -0.00367 -0.00537 0.00226 112 4XZ -0.00270 0.00275 0.00449 0.01141 -0.00600 113 4YZ 0.00261 -0.00791 -0.00110 -0.00085 0.00136 114 12 C 1S -0.00464 0.00715 -0.00600 0.00321 -0.00760 115 2S 0.00899 -0.01883 0.01693 -0.00825 0.01061 116 2PX -0.15284 0.11114 0.03086 -0.01511 0.06440 117 2PY 0.00851 -0.01620 -0.26997 -0.06316 -0.01229 118 2PZ -0.00360 -0.21044 -0.02784 -0.04124 0.04988 119 3S 0.02716 -0.04956 0.00457 -0.01193 0.08243 120 3PX -0.08213 0.06693 0.02647 -0.01010 0.03324 121 3PY -0.00287 -0.00697 -0.13436 -0.04400 -0.02243 122 3PZ -0.00705 -0.11142 -0.02326 0.00287 0.01925 123 4XX -0.00659 -0.00250 -0.00613 -0.00782 0.01451 124 4YY 0.00017 -0.00073 0.01200 0.00201 -0.00377 125 4ZZ 0.00371 0.00669 -0.00848 0.00560 -0.01197 126 4XY -0.00938 0.00667 -0.00336 -0.00079 0.00420 127 4XZ -0.00403 0.00619 0.00162 0.00110 -0.00056 128 4YZ -0.00065 -0.01336 0.00240 0.00168 0.00092 129 13 C 1S 0.00464 -0.00715 -0.00600 0.00321 0.00759 130 2S -0.00899 0.01883 0.01693 -0.00825 -0.01059 131 2PX 0.15284 -0.11115 0.03084 -0.01511 -0.06443 132 2PY 0.00850 -0.01631 0.26998 0.06316 -0.01228 133 2PZ 0.00360 0.21044 -0.02774 -0.04125 -0.04986 134 3S -0.02716 0.04956 0.00458 -0.01192 -0.08237 135 3PX 0.08212 -0.06694 0.02646 -0.01011 -0.03324 136 3PY -0.00288 -0.00703 0.13437 0.04400 -0.02244 137 3PZ 0.00705 0.11142 -0.02321 0.00287 -0.01924 138 4XX 0.00659 0.00251 -0.00613 -0.00782 -0.01452 139 4YY -0.00017 0.00073 0.01200 0.00201 0.00377 140 4ZZ -0.00370 -0.00669 -0.00848 0.00560 0.01197 141 4XY -0.00938 0.00667 0.00336 0.00079 0.00419 142 4XZ 0.00403 -0.00619 0.00162 0.00110 0.00055 143 4YZ -0.00065 -0.01335 -0.00240 -0.00168 0.00092 144 14 C 1S 0.00832 0.00157 0.00140 0.01294 0.01335 145 2S -0.02230 0.00063 -0.00836 -0.02454 -0.02678 146 2PX -0.07221 0.14644 -0.06570 0.10772 0.26163 147 2PY -0.02891 0.02827 -0.19003 -0.06198 -0.08044 148 2PZ 0.07301 -0.21877 -0.01475 0.07732 0.14974 149 3S -0.00855 -0.04622 0.01564 -0.06980 -0.05651 150 3PX -0.03471 0.05225 -0.02139 0.06685 0.21432 151 3PY -0.00702 -0.02670 -0.05531 -0.06266 -0.03314 152 3PZ 0.03580 -0.08816 -0.01114 0.04910 0.11547 153 4XX 0.00404 0.00652 -0.00653 -0.00236 -0.00661 154 4YY 0.00127 -0.00334 0.02105 0.00185 0.00182 155 4ZZ -0.00331 -0.00152 -0.01063 0.00495 0.00610 156 4XY -0.00194 0.00373 0.00367 0.00536 0.00226 157 4XZ 0.00270 -0.00275 0.00449 0.01141 0.00599 158 4YZ 0.00261 -0.00791 0.00111 0.00085 0.00136 159 15 C 1S 0.00563 0.00160 -0.00440 -0.00855 -0.00570 160 2S -0.01408 -0.01627 0.01509 0.00723 0.01367 161 2PX -0.00121 -0.05412 0.01186 0.26887 0.18930 162 2PY 0.00340 0.01732 0.21747 -0.00212 -0.02686 163 2PZ -0.05886 0.19802 0.01172 0.08589 0.03634 164 3S -0.01898 0.08278 0.00605 0.06365 -0.02569 165 3PX -0.01690 -0.00127 0.00418 0.17109 0.12802 166 3PY 0.00371 0.04636 0.07766 -0.00612 -0.05781 167 3PZ -0.01861 0.02452 0.01531 0.04376 0.05450 168 4XX 0.00034 0.00214 -0.00235 0.00031 0.00260 169 4YY 0.00066 -0.00099 0.00965 0.00104 0.00290 170 4ZZ -0.00204 0.00376 -0.00974 -0.00653 -0.00803 171 4XY -0.00032 0.00447 -0.00060 0.00713 -0.01348 172 4XZ 0.00394 -0.00629 0.00529 -0.00253 -0.00678 173 4YZ 0.00522 -0.01617 0.00470 0.00518 -0.00061 174 16 H 1S 0.04509 -0.12966 -0.07679 -0.02526 0.02834 175 2S 0.04288 -0.16007 -0.08734 -0.02212 0.04489 176 17 H 1S -0.01495 0.02975 0.15643 0.02271 -0.02018 177 2S -0.01825 0.04244 0.17273 0.02418 -0.04835 178 18 H 1S 0.02896 0.11873 -0.05352 0.01890 -0.06558 179 2S 0.02114 0.12423 -0.05983 0.04917 -0.10790 180 19 H 1S -0.02894 -0.11872 -0.05357 0.01890 0.06558 181 2S -0.02112 -0.12422 -0.05988 0.04917 0.10788 182 20 H 1S 0.01495 -0.02978 0.15642 0.02271 0.02019 183 2S 0.01824 -0.04248 0.17273 0.02417 0.04836 184 21 H 1S -0.04508 0.12968 -0.07676 -0.02526 -0.02834 185 2S -0.04288 0.16008 -0.08730 -0.02213 -0.04489 186 22 H 1S -0.09802 0.02590 -0.04330 -0.04240 0.08356 187 2S -0.09492 0.02512 -0.04677 -0.04276 0.10277 188 23 H 1S 0.09802 -0.02587 -0.04328 -0.04240 -0.08358 189 2S 0.09492 -0.02509 -0.04675 -0.04275 -0.10282 41 42 43 44 45 O V V V V Eigenvalues -- -0.19052 -0.00462 0.01543 0.08100 0.10931 1 1 C 1S 0.01540 -0.01252 -0.04276 -0.03552 0.05562 2 2S -0.03325 0.03731 0.09868 0.06353 -0.11712 3 2PX -0.21254 0.14633 0.24260 0.04332 -0.03569 4 2PY 0.06650 -0.02702 -0.07027 -0.09702 0.10482 5 2PZ -0.19730 0.09818 0.23161 -0.07921 -0.06541 6 3S -0.09782 0.00906 0.17569 0.51317 -0.46463 7 3PX -0.16601 0.16564 0.37687 0.06513 -0.12661 8 3PY 0.06746 -0.00709 -0.21103 -0.23038 0.23587 9 3PZ -0.13173 0.10720 0.15614 -0.15866 0.12289 10 4XX -0.01089 -0.00742 -0.00214 -0.00634 0.01314 11 4YY -0.00048 0.00140 -0.00199 0.00073 -0.00058 12 4ZZ 0.01340 -0.00072 -0.00930 -0.00030 0.00214 13 4XY -0.01253 0.01300 -0.01124 0.00282 -0.00085 14 4XZ 0.00000 -0.01007 0.00279 0.00198 -0.00468 15 4YZ -0.01078 0.01229 -0.01049 -0.00173 -0.00008 16 2 C 1S 0.01540 -0.01253 0.04275 -0.03551 -0.05561 17 2S -0.03325 0.03732 -0.09867 0.06352 0.11708 18 2PX -0.21258 0.14639 -0.24256 0.04330 0.03573 19 2PY -0.06648 0.02703 -0.07024 0.09702 0.10482 20 2PZ -0.19737 0.09824 -0.23160 -0.07923 0.06533 21 3S -0.09783 0.00907 -0.17569 0.51312 0.46455 22 3PX -0.16604 0.16573 -0.37682 0.06512 0.12682 23 3PY -0.06748 0.00712 -0.21103 0.23038 0.23583 24 3PZ -0.13178 0.10725 -0.15615 -0.15866 -0.12307 25 4XX -0.01089 -0.00741 0.00214 -0.00634 -0.01313 26 4YY -0.00048 0.00140 0.00199 0.00073 0.00058 27 4ZZ 0.01341 -0.00072 0.00930 -0.00030 -0.00214 28 4XY 0.01253 -0.01300 -0.01124 -0.00282 -0.00085 29 4XZ 0.00000 -0.01008 -0.00279 0.00198 0.00468 30 4YZ 0.01078 -0.01229 -0.01049 0.00173 -0.00007 31 3 C 1S 0.01259 -0.00370 0.00000 -0.02420 0.00000 32 2S -0.03916 0.00990 0.00000 0.04996 0.00000 33 2PX -0.06703 -0.00600 0.00000 0.00155 -0.00003 34 2PY -0.00001 0.00001 -0.11142 -0.00001 0.23889 35 2PZ -0.05253 -0.01233 -0.00001 0.01881 0.00003 36 3S -0.04482 0.01623 0.00000 0.26751 0.00002 37 3PX 0.03406 -0.01232 0.00001 -0.04387 -0.00006 38 3PY -0.00001 0.00001 -0.17665 -0.00003 0.61372 39 3PZ 0.02466 0.01999 0.00000 0.07388 0.00007 40 4XX 0.01672 -0.00258 0.00000 -0.00503 0.00000 41 4YY -0.00645 0.00085 0.00000 -0.00201 0.00000 42 4ZZ -0.00610 -0.00135 0.00000 -0.00246 0.00000 43 4XY 0.00000 0.00000 0.01134 0.00000 -0.01855 44 4XZ 0.01481 -0.00080 0.00000 0.00336 0.00000 45 4YZ 0.00000 0.00000 0.00442 0.00000 0.00614 46 4 O 1S -0.00442 -0.00331 0.01724 0.00686 -0.04751 47 2S 0.00535 0.00138 -0.03496 -0.00026 0.08543 48 2PX 0.15716 -0.03346 -0.06698 -0.00119 -0.01754 49 2PY -0.01654 0.00730 -0.04076 -0.00029 0.07657 50 2PZ 0.22762 -0.08490 -0.07228 0.02207 0.01642 51 3S 0.01799 0.05575 -0.11880 -0.09213 0.47771 52 3PX 0.13747 -0.02800 -0.04515 -0.01875 -0.09595 53 3PY -0.02176 0.02279 -0.03194 0.02890 0.13531 54 3PZ 0.18729 -0.09188 -0.10366 0.03329 0.01804 55 4XX -0.00401 0.00161 0.01856 0.00836 -0.02608 56 4YY -0.00254 -0.00199 0.00010 0.00586 -0.00080 57 4ZZ -0.00013 -0.00502 -0.00519 0.00616 -0.01172 58 4XY 0.00710 0.00057 -0.00178 -0.00426 -0.00240 59 4XZ 0.00123 0.00053 -0.00292 -0.00252 0.00577 60 4YZ 0.00379 0.00122 -0.00134 0.00270 -0.00049 61 5 H 1S 0.02329 0.03620 -0.06704 -0.00914 0.03291 62 2S 0.06028 0.08358 -0.30327 -0.61198 0.55380 63 6 H 1S 0.02333 0.03618 0.06705 -0.00914 -0.03293 64 2S 0.06034 0.08352 0.30329 -0.61194 -0.55403 65 7 H 1S 0.10158 -0.00931 0.00000 -0.00454 0.00001 66 2S 0.20300 -0.04205 0.00000 -0.11448 -0.00001 67 8 O 1S -0.00443 -0.00330 -0.01724 0.00686 0.04748 68 2S 0.00536 0.00138 0.03496 -0.00025 -0.08539 69 2PX 0.15722 -0.03347 0.06698 -0.00118 0.01762 70 2PY 0.01651 -0.00729 -0.04076 0.00028 0.07653 71 2PZ 0.22770 -0.08493 0.07225 0.02208 -0.01646 72 3S 0.01803 0.05574 0.11883 -0.09207 -0.47739 73 3PX 0.13752 -0.02801 0.04515 -0.01875 0.09608 74 3PY 0.02173 -0.02277 -0.03195 -0.02892 0.13521 75 3PZ 0.18735 -0.09191 0.10363 0.03329 -0.01812 76 4XX -0.00402 0.00161 -0.01856 0.00835 0.02608 77 4YY -0.00253 -0.00198 -0.00010 0.00586 0.00079 78 4ZZ -0.00013 -0.00502 0.00519 0.00616 0.01171 79 4XY -0.00711 -0.00057 -0.00178 0.00426 -0.00240 80 4XZ 0.00123 0.00053 0.00292 -0.00252 -0.00578 81 4YZ -0.00379 -0.00122 -0.00134 -0.00270 -0.00049 82 9 H 1S -0.06861 0.00371 0.00000 -0.01650 0.00000 83 2S -0.08054 0.00143 0.00000 -0.25706 -0.00005 84 10 C 1S -0.00218 -0.00427 0.00497 -0.02227 0.02042 85 2S 0.00139 0.01118 -0.00502 0.05015 -0.04523 86 2PX -0.15085 -0.16800 -0.23526 -0.01646 -0.20729 87 2PY -0.02629 -0.03584 -0.00129 0.02030 0.01419 88 2PZ -0.07713 -0.06512 -0.11315 0.04496 -0.08043 89 3S -0.00288 0.03433 -0.02700 0.19021 -0.19014 90 3PX -0.13432 -0.22123 -0.30290 -0.07389 -0.33367 91 3PY -0.02418 -0.01851 -0.05340 0.04063 -0.07065 92 3PZ -0.07256 -0.08802 -0.15225 0.11425 -0.19121 93 4XX 0.00036 0.00748 -0.00040 -0.00271 0.00383 94 4YY 0.00005 0.00489 0.00188 0.00452 0.00762 95 4ZZ -0.00357 -0.01288 0.00098 -0.00463 -0.00879 96 4XY 0.00617 0.01706 -0.01283 0.00414 -0.00698 97 4XZ -0.00249 -0.01012 -0.00094 0.00252 -0.00479 98 4YZ 0.00166 0.00152 -0.00534 -0.00837 -0.00501 99 11 C 1S -0.00527 0.02783 -0.01040 -0.02659 0.00913 100 2S 0.01904 -0.04872 0.04251 0.04839 -0.02013 101 2PX 0.04891 0.29131 -0.02490 0.03290 0.17702 102 2PY 0.00442 0.09084 -0.01667 0.08388 0.07813 103 2PZ 0.01305 0.17755 0.00086 0.01121 0.12586 104 3S -0.02437 -0.21197 -0.03634 0.33485 -0.05958 105 3PX 0.02179 0.37343 -0.04541 0.01894 0.16838 106 3PY 0.02783 0.10330 -0.00024 0.14690 0.16204 107 3PZ 0.03417 0.21156 0.02562 0.06731 0.27878 108 4XX -0.00180 0.00834 -0.00239 -0.00052 0.01077 109 4YY 0.00211 0.00243 0.00417 -0.00943 -0.00296 110 4ZZ -0.00324 -0.00201 -0.00512 0.00484 -0.00554 111 4XY -0.00074 0.00666 0.00009 0.00460 0.00762 112 4XZ -0.01064 -0.00181 -0.02051 -0.00521 -0.01015 113 4YZ -0.00187 0.00214 -0.00100 0.00181 0.00537 114 12 C 1S -0.01253 -0.00843 -0.01423 -0.05479 -0.02468 115 2S 0.02810 0.02007 0.02700 0.07344 0.02678 116 2PX -0.04464 -0.00878 -0.03098 0.02566 -0.01206 117 2PY 0.00138 -0.02694 0.02454 0.06470 0.06935 118 2PZ 0.02159 0.03615 0.04196 -0.12765 -0.00597 119 3S 0.08930 0.04309 0.14079 0.81087 0.42657 120 3PX -0.00910 -0.01204 -0.00958 0.07736 0.03844 121 3PY 0.02201 -0.01269 0.05870 0.21438 0.15333 122 3PZ 0.02239 0.05436 0.04670 -0.32514 -0.01138 123 4XX -0.00536 -0.01872 -0.00159 -0.00644 -0.01585 124 4YY 0.00279 0.00610 0.00038 0.00135 0.00291 125 4ZZ 0.00249 0.01172 -0.00114 -0.00734 0.00782 126 4XY -0.00045 0.00090 -0.00141 -0.00219 0.00004 127 4XZ -0.00228 0.00405 -0.00232 -0.00375 0.00003 128 4YZ 0.00074 0.00588 0.00174 0.00940 0.00333 129 13 C 1S -0.01253 -0.00843 0.01423 -0.05479 0.02470 130 2S 0.02810 0.02008 -0.02700 0.07344 -0.02681 131 2PX -0.04459 -0.00880 0.03098 0.02567 0.01193 132 2PY -0.00138 0.02692 0.02456 -0.06470 0.06937 133 2PZ 0.02162 0.03616 -0.04194 -0.12764 0.00593 134 3S 0.08936 0.04310 -0.14078 0.81083 -0.42697 135 3PX -0.00909 -0.01207 0.00957 0.07747 -0.03882 136 3PY -0.02200 0.01263 0.05871 -0.21437 0.15347 137 3PZ 0.02240 0.05436 -0.04668 -0.32515 0.01127 138 4XX -0.00535 -0.01872 0.00159 -0.00644 0.01586 139 4YY 0.00279 0.00610 -0.00038 0.00135 -0.00291 140 4ZZ 0.00248 0.01172 0.00115 -0.00734 -0.00782 141 4XY 0.00045 -0.00090 -0.00141 0.00219 0.00003 142 4XZ -0.00228 0.00405 0.00232 -0.00375 -0.00002 143 4YZ -0.00074 -0.00588 0.00174 -0.00940 0.00333 144 14 C 1S -0.00527 0.02784 0.01041 -0.02659 -0.00914 145 2S 0.01906 -0.04872 -0.04253 0.04839 0.02014 146 2PX 0.04874 0.29130 0.02497 0.03293 -0.17702 147 2PY -0.00437 -0.09085 -0.01669 -0.08389 0.07809 148 2PZ 0.01295 0.17753 -0.00083 0.01121 -0.12583 149 3S -0.02434 -0.21200 0.03629 0.33489 0.05972 150 3PX 0.02165 0.37342 0.04551 0.01900 -0.16830 151 3PY -0.02782 -0.10330 -0.00025 -0.14692 0.16188 152 3PZ 0.03410 0.21156 -0.02556 0.06731 -0.27872 153 4XX -0.00179 0.00834 0.00239 -0.00052 -0.01077 154 4YY 0.00211 0.00244 -0.00417 -0.00943 0.00295 155 4ZZ -0.00325 -0.00201 0.00511 0.00484 0.00555 156 4XY 0.00074 -0.00666 0.00008 -0.00460 0.00761 157 4XZ -0.01064 -0.00182 0.02051 -0.00521 0.01015 158 4YZ 0.00187 -0.00214 -0.00101 -0.00182 0.00536 159 15 C 1S -0.00218 -0.00427 -0.00497 -0.02226 -0.02044 160 2S 0.00138 0.01118 0.00502 0.05014 0.04527 161 2PX -0.15098 -0.16805 0.23522 -0.01650 0.20723 162 2PY 0.02632 0.03585 -0.00129 -0.02030 0.01417 163 2PZ -0.07715 -0.06514 0.11314 0.04495 0.08047 164 3S -0.00286 0.03431 0.02700 0.19015 0.19043 165 3PX -0.13441 -0.22130 0.30286 -0.07394 0.33358 166 3PY 0.02423 0.01852 -0.05340 -0.04065 -0.07075 167 3PZ -0.07259 -0.08803 0.15222 0.11423 0.19127 168 4XX 0.00036 0.00748 0.00040 -0.00270 -0.00383 169 4YY 0.00005 0.00489 -0.00188 0.00452 -0.00761 170 4ZZ -0.00356 -0.01288 -0.00099 -0.00463 0.00878 171 4XY -0.00616 -0.01705 -0.01283 -0.00414 -0.00698 172 4XZ -0.00249 -0.01013 0.00094 0.00252 0.00479 173 4YZ -0.00166 -0.00152 -0.00534 0.00837 -0.00501 174 16 H 1S -0.00754 -0.01416 0.01208 -0.03186 0.00847 175 2S 0.00220 -0.06324 0.04536 -0.35481 0.11088 176 17 H 1S 0.01005 0.01404 0.01526 -0.03105 -0.01495 177 2S 0.00752 0.06145 0.01900 -0.43941 -0.14719 178 18 H 1S 0.00771 0.02716 -0.00748 -0.03821 0.02883 179 2S -0.00161 0.12745 -0.03824 -0.80721 -0.15985 180 19 H 1S 0.00766 0.02715 0.00749 -0.03820 -0.02886 181 2S -0.00168 0.12741 0.03828 -0.80721 0.15976 182 20 H 1S 0.01004 0.01405 -0.01526 -0.03105 0.01494 183 2S 0.00749 0.06147 -0.01898 -0.43943 0.14691 184 21 H 1S -0.00752 -0.01416 -0.01209 -0.03186 -0.00849 185 2S 0.00223 -0.06324 -0.04537 -0.35479 -0.11125 186 22 H 1S -0.02472 -0.05664 -0.00838 -0.01520 -0.06044 187 2S -0.07230 -0.17610 -0.08804 -0.38035 -0.35267 188 23 H 1S -0.02466 -0.05664 0.00837 -0.01521 0.06049 189 2S -0.07223 -0.17612 0.08799 -0.38037 0.35338 46 47 48 49 50 V V V V V Eigenvalues -- 0.11268 0.11965 0.13058 0.13383 0.14567 1 1 C 1S 0.01700 -0.01316 -0.02090 -0.03534 -0.01291 2 2S -0.05185 -0.00330 0.05862 0.04741 0.00551 3 2PX 0.07320 0.07869 -0.02212 -0.07288 0.23356 4 2PY -0.01143 -0.06190 -0.03946 -0.01374 0.04605 5 2PZ -0.13404 -0.06385 -0.05420 -0.17418 0.03257 6 3S -0.07508 0.37139 0.28502 0.59101 0.34568 7 3PX 0.28637 0.09068 0.03603 0.03193 0.45476 8 3PY 0.05783 -0.19983 -0.14683 -0.06467 0.27755 9 3PZ -0.28785 -0.14005 -0.10128 -0.54851 -0.03767 10 4XX 0.00935 0.00469 -0.00385 -0.00530 -0.00113 11 4YY -0.01160 -0.00397 0.00450 -0.00683 -0.00836 12 4ZZ -0.00143 -0.00129 -0.00116 0.00195 -0.00141 13 4XY 0.01160 0.00848 0.00100 0.00189 -0.01042 14 4XZ -0.01183 -0.00135 0.00165 0.00686 -0.00628 15 4YZ -0.01586 -0.00298 -0.00351 0.00923 0.00109 16 2 C 1S 0.01704 -0.01317 -0.02094 0.03532 0.01291 17 2S -0.05193 -0.00328 0.05868 -0.04736 -0.00551 18 2PX 0.07318 0.07867 -0.02222 0.07287 -0.23358 19 2PY 0.01137 0.06193 0.03950 -0.01371 0.04604 20 2PZ -0.13409 -0.06387 -0.05436 0.17409 -0.03253 21 3S -0.07537 0.37155 0.28562 -0.59069 -0.34572 22 3PX 0.28628 0.09070 0.03603 -0.03185 -0.45483 23 3PY -0.05798 0.19991 0.14695 -0.06455 0.27750 24 3PZ -0.28779 -0.14013 -0.10180 0.54833 0.03778 25 4XX 0.00936 0.00469 -0.00385 0.00530 0.00113 26 4YY -0.01160 -0.00397 0.00449 0.00683 0.00836 27 4ZZ -0.00143 -0.00129 -0.00116 -0.00195 0.00141 28 4XY -0.01160 -0.00848 -0.00101 0.00189 -0.01042 29 4XZ -0.01184 -0.00135 0.00166 -0.00687 0.00628 30 4YZ 0.01586 0.00298 0.00351 0.00923 0.00109 31 3 C 1S -0.00316 0.05427 -0.10123 -0.00005 0.00001 32 2S 0.00896 -0.08098 0.16327 0.00008 -0.00001 33 2PX -0.02711 0.21285 -0.19169 -0.00009 0.00000 34 2PY -0.00010 0.00003 -0.00001 0.06782 0.30594 35 2PZ 0.00868 -0.11624 0.03260 0.00000 0.00004 36 3S 0.06201 -0.97838 1.52609 0.00070 -0.00009 37 3PX -0.06518 0.63863 -0.48907 -0.00022 0.00000 38 3PY -0.00025 0.00008 0.00000 0.13620 0.81914 39 3PZ 0.00317 -0.33961 0.10246 0.00001 0.00009 40 4XX 0.00533 0.00214 -0.00665 0.00000 0.00000 41 4YY -0.00963 -0.00043 -0.00381 0.00000 0.00000 42 4ZZ 0.00111 0.01277 -0.01111 0.00000 0.00000 43 4XY 0.00001 0.00000 0.00000 -0.00363 -0.01786 44 4XZ -0.00215 0.00488 -0.00182 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 -0.00547 0.01540 46 4 O 1S -0.03291 0.00748 0.00926 -0.00799 -0.05794 47 2S 0.05654 -0.01015 0.00261 0.00241 0.07430 48 2PX 0.12576 0.01541 0.02866 -0.00985 -0.13116 49 2PY 0.04959 -0.00426 -0.01262 -0.00671 0.06194 50 2PZ -0.06871 -0.01379 0.01906 0.07478 -0.03522 51 3S 0.38798 -0.12534 -0.13518 0.15730 0.76437 52 3PX 0.19664 -0.02364 0.07918 0.00793 -0.18151 53 3PY 0.11227 -0.04961 -0.01412 0.04134 0.18702 54 3PZ -0.12237 0.03476 0.01689 0.09065 -0.05694 55 4XX -0.01110 -0.00457 0.01304 -0.00730 -0.02296 56 4YY -0.00518 -0.00069 0.00834 -0.00478 -0.01415 57 4ZZ -0.00699 0.00600 0.00611 0.00120 -0.02700 58 4XY 0.00013 -0.00287 -0.00520 0.00270 -0.00141 59 4XZ -0.00288 0.00842 -0.00776 -0.00386 0.00705 60 4YZ -0.00217 0.00110 -0.00023 -0.00053 -0.00258 61 5 H 1S -0.03779 -0.02221 -0.01706 -0.00600 0.02942 62 2S -0.34378 -0.46921 -0.37473 -0.74661 -0.07270 63 6 H 1S -0.03776 -0.02222 -0.01708 0.00598 -0.02941 64 2S -0.34341 -0.46941 -0.37551 0.74609 0.07286 65 7 H 1S 0.01689 0.04024 -0.03995 -0.00002 0.00000 66 2S -0.05524 0.79016 -1.13744 -0.00055 0.00010 67 8 O 1S -0.03295 0.00749 0.00927 0.00800 0.05794 68 2S 0.05661 -0.01016 0.00259 -0.00240 -0.07431 69 2PX 0.12574 0.01542 0.02866 0.00990 0.13112 70 2PY -0.04964 0.00428 0.01264 -0.00670 0.06192 71 2PZ -0.06870 -0.01378 0.01914 -0.07477 0.03523 72 3S 0.38837 -0.12542 -0.13516 -0.15739 -0.76439 73 3PX 0.19656 -0.02362 0.07922 -0.00782 0.18145 74 3PY -0.11237 0.04963 0.01412 0.04135 0.18701 75 3PZ -0.12236 0.03478 0.01699 -0.09063 0.05696 76 4XX -0.01112 -0.00457 0.01304 0.00731 0.02296 77 4YY -0.00518 -0.00069 0.00834 0.00478 0.01415 78 4ZZ -0.00700 0.00600 0.00611 -0.00119 0.02700 79 4XY -0.00013 0.00287 0.00520 0.00271 -0.00141 80 4XZ -0.00288 0.00842 -0.00777 0.00385 -0.00705 81 4YZ 0.00217 -0.00110 0.00023 -0.00053 -0.00259 82 9 H 1S 0.02151 0.03789 -0.05358 -0.00002 0.00000 83 2S -0.02159 1.01254 -0.97466 -0.00040 -0.00002 84 10 C 1S -0.01383 0.03206 0.02475 0.00697 0.00054 85 2S 0.02304 -0.05366 -0.02324 -0.00433 0.01582 86 2PX -0.05334 0.07398 0.01667 -0.10048 0.15145 87 2PY 0.00396 -0.07116 -0.06040 -0.03912 -0.03834 88 2PZ 0.02446 -0.10531 -0.09644 -0.08517 0.01522 89 3S 0.16822 -0.61257 -0.45485 -0.15596 -0.26817 90 3PX -0.08503 0.08289 0.08807 -0.10817 0.25755 91 3PY 0.04182 -0.22517 -0.11321 0.09483 0.05010 92 3PZ 0.04910 -0.22029 -0.18090 -0.22163 0.04475 93 4XX -0.00472 0.00251 0.00057 0.00572 0.00037 94 4YY 0.00298 -0.00255 0.00086 -0.00495 -0.00778 95 4ZZ -0.00338 0.00061 0.00590 0.00181 0.00591 96 4XY 0.00455 -0.00162 -0.00314 -0.00428 0.00404 97 4XZ -0.00051 -0.00226 -0.00385 -0.00438 0.00349 98 4YZ -0.00342 0.00883 0.01199 -0.00337 0.00295 99 11 C 1S 0.00073 0.01270 0.02933 0.03313 0.00926 100 2S -0.00704 -0.02568 -0.04275 -0.04903 -0.01062 101 2PX -0.00285 0.05739 0.02771 0.10627 -0.09216 102 2PY 0.03232 -0.05324 -0.09080 -0.11858 -0.12976 103 2PZ 0.02933 0.00671 0.00138 0.06319 -0.06821 104 3S 0.03734 -0.13497 -0.42085 -0.60999 -0.21405 105 3PX 0.10407 0.09745 0.04128 0.20854 -0.16327 106 3PY 0.12191 -0.17193 -0.28520 -0.36175 -0.41647 107 3PZ 0.08967 0.14258 0.09925 -0.05624 -0.06595 108 4XX -0.00616 -0.00254 -0.00029 0.01177 -0.00480 109 4YY 0.00152 0.00837 0.01058 -0.00097 0.00370 110 4ZZ 0.00386 -0.00194 -0.00336 -0.00412 0.00137 111 4XY 0.00610 0.00277 0.00005 0.00301 -0.01106 112 4XZ 0.00073 0.00457 0.00074 0.00075 0.00220 113 4YZ 0.00885 -0.00204 -0.00200 -0.00261 -0.00308 114 12 C 1S 0.03720 -0.00446 -0.00016 0.05304 -0.02586 115 2S -0.04923 -0.01088 -0.00889 -0.03705 0.04197 116 2PX -0.17727 -0.00089 -0.01684 -0.01344 -0.01040 117 2PY -0.03668 0.02102 0.01265 -0.02199 -0.05923 118 2PZ -0.04589 -0.09443 -0.03338 0.12570 -0.01918 119 3S -0.60875 0.20231 0.10668 -1.06616 0.28366 120 3PX -0.50181 -0.04400 -0.02172 -0.03297 0.03855 121 3PY -0.19718 0.09723 0.09890 0.15697 -0.09417 122 3PZ -0.14720 -0.25355 -0.09453 0.36933 -0.11250 123 4XX 0.01385 -0.00187 -0.00191 -0.00088 0.00496 124 4YY -0.00151 -0.00272 -0.00097 0.00549 -0.01001 125 4ZZ -0.00322 0.00172 0.00366 0.00710 -0.00089 126 4XY 0.01042 0.00389 0.00526 0.00117 -0.00028 127 4XZ 0.00728 -0.00488 -0.00346 0.00107 -0.00276 128 4YZ 0.00676 0.00113 -0.00426 0.00405 -0.00401 129 13 C 1S 0.03718 -0.00444 -0.00010 -0.05304 0.02586 130 2S -0.04921 -0.01089 -0.00894 0.03703 -0.04197 131 2PX -0.17728 -0.00087 -0.01684 0.01344 0.01038 132 2PY 0.03660 -0.02100 -0.01262 -0.02200 -0.05922 133 2PZ -0.04591 -0.09440 -0.03324 -0.12576 0.01918 134 3S -0.60854 0.20201 0.10555 1.06631 -0.28374 135 3PX -0.50176 -0.04391 -0.02171 0.03298 -0.03860 136 3PY 0.19696 -0.09723 -0.09902 0.15690 -0.09417 137 3PZ -0.14731 -0.25350 -0.09413 -0.36948 0.11248 138 4XX 0.01384 -0.00187 -0.00191 0.00088 -0.00496 139 4YY -0.00151 -0.00271 -0.00097 -0.00549 0.01002 140 4ZZ -0.00321 0.00171 0.00367 -0.00710 0.00089 141 4XY -0.01042 -0.00389 -0.00526 0.00117 -0.00028 142 4XZ 0.00729 -0.00488 -0.00346 -0.00107 0.00276 143 4YZ -0.00676 -0.00113 0.00426 0.00406 -0.00401 144 14 C 1S 0.00074 0.01270 0.02936 -0.03311 -0.00925 145 2S -0.00707 -0.02568 -0.04280 0.04900 0.01061 146 2PX -0.00272 0.05737 0.02780 -0.10623 0.09217 147 2PY -0.03239 0.05325 0.09091 -0.11848 -0.12977 148 2PZ 0.02943 0.00671 0.00145 -0.06322 0.06820 149 3S 0.03732 -0.13497 -0.42141 0.60967 0.21397 150 3PX 0.10423 0.09745 0.04144 -0.20846 0.16334 151 3PY -0.12199 0.17197 0.28551 -0.36150 -0.41644 152 3PZ 0.08986 0.14255 0.09921 0.05630 0.06586 153 4XX -0.00615 -0.00254 -0.00027 -0.01177 0.00480 154 4YY 0.00152 0.00837 0.01058 0.00098 -0.00370 155 4ZZ 0.00385 -0.00194 -0.00336 0.00411 -0.00137 156 4XY -0.00611 -0.00278 -0.00005 0.00301 -0.01106 157 4XZ 0.00072 0.00457 0.00074 -0.00075 -0.00220 158 4YZ -0.00886 0.00204 0.00200 -0.00260 -0.00308 159 15 C 1S -0.01382 0.03206 0.02476 -0.00694 -0.00055 160 2S 0.02301 -0.05365 -0.02325 0.00430 -0.01581 161 2PX -0.05350 0.07397 0.01658 0.10052 -0.15146 162 2PY -0.00399 0.07118 0.06045 -0.03905 -0.03837 163 2PZ 0.02439 -0.10530 -0.09651 0.08504 -0.01520 164 3S 0.16804 -0.61256 -0.45498 0.15535 0.26833 165 3PX -0.08530 0.08287 0.08798 0.10827 -0.25758 166 3PY -0.04182 0.22516 0.11316 0.09498 0.05003 167 3PZ 0.04898 -0.22022 -0.18110 0.22141 -0.04470 168 4XX -0.00471 0.00251 0.00057 -0.00572 -0.00037 169 4YY 0.00299 -0.00255 0.00086 0.00496 0.00778 170 4ZZ -0.00339 0.00061 0.00590 -0.00180 -0.00591 171 4XY -0.00455 0.00162 0.00314 -0.00428 0.00404 172 4XZ -0.00051 -0.00226 -0.00385 0.00437 -0.00349 173 4YZ 0.00342 -0.00883 -0.01199 -0.00338 0.00295 174 16 H 1S -0.01648 0.02477 0.05260 0.01459 -0.00739 175 2S -0.24871 0.75342 0.57815 0.20877 0.19649 176 17 H 1S 0.00517 0.02757 0.03575 -0.00925 0.03400 177 2S -0.10579 0.34538 0.59651 0.69756 0.59362 178 18 H 1S -0.03528 -0.01134 0.00884 0.01977 -0.00600 179 2S -0.07440 -0.38638 -0.13341 0.74418 -0.17925 180 19 H 1S -0.03526 -0.01134 0.00886 -0.01976 0.00599 181 2S -0.07453 -0.38622 -0.13258 -0.74442 0.17925 182 20 H 1S 0.00516 0.02757 0.03574 0.00929 -0.03400 183 2S -0.10587 0.34544 0.59713 -0.69702 -0.59357 184 21 H 1S -0.01648 0.02477 0.05261 -0.01453 0.00738 185 2S -0.24866 0.75337 0.57836 -0.20801 -0.19668 186 22 H 1S 0.07124 0.00058 -0.00345 -0.00931 0.01438 187 2S 1.01697 0.05255 0.03052 0.22170 -0.01428 188 23 H 1S 0.07119 0.00059 -0.00345 0.00930 -0.01437 189 2S 1.01671 0.05259 0.03074 -0.22168 0.01438 51 52 53 54 55 V V V V V Eigenvalues -- 0.15450 0.16965 0.17165 0.17519 0.18002 1 1 C 1S -0.02120 0.02740 0.02073 -0.01732 0.04300 2 2S 0.02515 -0.04256 -0.03566 0.03956 -0.05435 3 2PX -0.12081 -0.09872 0.00917 -0.09303 0.01688 4 2PY -0.00868 -0.01003 0.05547 -0.04547 0.10253 5 2PZ 0.16114 0.05956 0.03303 0.09170 0.04328 6 3S 0.21093 -0.33518 -0.28822 0.16545 -0.81952 7 3PX -0.35940 -0.27941 0.01181 -0.20660 0.05424 8 3PY -0.10542 0.11296 0.09449 -0.06271 0.41610 9 3PZ 0.38977 0.26568 0.08952 0.18698 0.11578 10 4XX -0.00626 0.00131 0.00263 -0.00338 0.00194 11 4YY 0.00762 0.01122 0.00106 0.00394 -0.00580 12 4ZZ -0.00235 0.00077 0.00288 0.00047 0.00628 13 4XY -0.00771 0.00446 -0.00420 -0.01254 0.00309 14 4XZ 0.01025 0.00107 -0.00210 0.00986 -0.01423 15 4YZ 0.02215 -0.00518 -0.00050 0.01222 0.00690 16 2 C 1S -0.02120 -0.02741 0.02073 -0.01731 0.04298 17 2S 0.02515 0.04257 -0.03567 0.03955 -0.05433 18 2PX -0.12078 0.09870 0.00911 -0.09306 0.01689 19 2PY 0.00865 -0.01001 -0.05547 0.04546 -0.10253 20 2PZ 0.16115 -0.05954 0.03303 0.09171 0.04320 21 3S 0.21096 0.33532 -0.28828 0.16535 -0.81919 22 3PX -0.35935 0.27935 0.01169 -0.20668 0.05436 23 3PY 0.10532 0.11308 -0.09454 0.06267 -0.41609 24 3PZ 0.38980 -0.26560 0.08957 0.18702 0.11549 25 4XX -0.00626 -0.00131 0.00263 -0.00338 0.00194 26 4YY 0.00762 -0.01122 0.00107 0.00394 -0.00580 27 4ZZ -0.00235 -0.00077 0.00288 0.00047 0.00628 28 4XY 0.00771 0.00447 0.00419 0.01254 -0.00309 29 4XZ 0.01025 -0.00107 -0.00210 0.00986 -0.01423 30 4YZ -0.02215 -0.00518 0.00050 -0.01221 -0.00690 31 3 C 1S 0.00448 -0.00002 -0.00740 -0.00631 0.07047 32 2S -0.01556 0.00002 0.00239 -0.00616 -0.10513 33 2PX 0.07326 0.00000 -0.12420 -0.12105 -0.19811 34 2PY -0.00003 -0.17785 0.00006 0.00002 -0.00005 35 2PZ 0.13027 -0.00013 -0.41318 -0.16564 0.12596 36 3S -0.06046 0.00020 0.09686 0.12802 -0.79486 37 3PX 0.17862 0.00003 -0.28609 -0.24434 -0.66012 38 3PY -0.00008 -0.51178 0.00018 0.00007 -0.00014 39 3PZ 0.35666 -0.00037 -1.09103 -0.39832 0.46962 40 4XX -0.00247 0.00000 -0.00338 -0.00690 0.01579 41 4YY 0.00944 0.00000 -0.00478 0.00669 0.00932 42 4ZZ -0.00309 0.00000 0.00818 -0.00364 -0.01766 43 4XY 0.00000 0.01324 0.00000 0.00000 0.00000 44 4XZ 0.00537 0.00000 -0.00771 -0.00050 -0.01195 45 4YZ 0.00000 -0.00807 0.00000 0.00000 0.00000 46 4 O 1S 0.04130 0.02957 0.00049 0.02127 -0.06014 47 2S -0.06297 -0.02369 -0.00527 -0.03268 0.07901 48 2PX -0.14668 0.09038 0.05074 -0.07108 -0.00158 49 2PY -0.05487 -0.04951 -0.02082 -0.03340 0.15638 50 2PZ 0.06710 -0.00660 0.04654 0.10614 -0.04969 51 3S -0.52621 -0.45479 -0.01289 -0.27125 0.82245 52 3PX -0.28356 0.11360 0.10732 -0.12228 0.00573 53 3PY -0.13710 -0.13208 -0.05265 -0.05431 0.33442 54 3PZ 0.11167 -0.02671 0.11804 0.18265 -0.11779 55 4XX 0.01229 0.01950 -0.00117 0.01186 -0.02083 56 4YY 0.00954 0.01027 0.00075 0.00215 -0.01447 57 4ZZ 0.01410 0.01685 -0.00637 0.00637 -0.02862 58 4XY 0.00208 0.00138 -0.00254 0.00072 0.01102 59 4XZ 0.00268 -0.00320 0.00602 -0.00124 -0.00633 60 4YZ 0.00644 0.00312 -0.00907 -0.00286 -0.00411 61 5 H 1S 0.04301 0.00061 0.02147 0.03365 0.07034 62 2S 0.40012 0.48704 0.35891 0.12571 0.82446 63 6 H 1S 0.04302 -0.00062 0.02147 0.03365 0.07033 64 2S 0.40016 -0.48707 0.35904 0.12581 0.82408 65 7 H 1S -0.00238 -0.00002 -0.04747 -0.03541 0.00267 66 2S 0.48085 -0.00038 -1.27586 -0.69228 0.15275 67 8 O 1S 0.04129 -0.02954 0.00050 0.02128 -0.06015 68 2S -0.06296 0.02365 -0.00528 -0.03268 0.07901 69 2PX -0.14670 -0.09038 0.05078 -0.07106 -0.00160 70 2PY 0.05485 -0.04944 0.02084 0.03339 -0.15638 71 2PZ 0.06710 0.00665 0.04655 0.10615 -0.04969 72 3S -0.52609 0.45444 -0.01312 -0.27134 0.82266 73 3PX -0.28360 -0.11358 0.10738 -0.12226 0.00571 74 3PY 0.13705 -0.13192 0.05271 0.05431 -0.33446 75 3PZ 0.11168 0.02682 0.11804 0.18265 -0.11779 76 4XX 0.01229 -0.01949 -0.00116 0.01187 -0.02084 77 4YY 0.00954 -0.01027 0.00075 0.00215 -0.01448 78 4ZZ 0.01409 -0.01684 -0.00636 0.00637 -0.02862 79 4XY -0.00208 0.00139 0.00254 -0.00072 -0.01102 80 4XZ 0.00268 0.00320 0.00602 -0.00124 -0.00633 81 4YZ -0.00644 0.00312 0.00907 0.00286 0.00411 82 9 H 1S -0.04092 0.00001 0.06371 -0.01907 -0.02198 83 2S -0.43830 0.00034 1.33741 0.40750 -0.24677 84 10 C 1S -0.01638 0.04664 -0.02163 0.03045 0.01231 85 2S 0.01240 -0.06373 0.03367 -0.05119 0.02410 86 2PX -0.00408 0.02737 0.01577 -0.00052 0.03379 87 2PY 0.03525 -0.05577 0.03167 -0.05934 -0.03639 88 2PZ 0.00912 -0.08513 0.00798 -0.01685 -0.08871 89 3S 0.32960 -0.90862 0.32149 -0.52040 -0.33691 90 3PX -0.03713 0.13774 0.00775 -0.02153 0.08926 91 3PY 0.18544 -0.00768 0.13091 -0.27133 -0.13039 92 3PZ 0.03144 -0.32731 -0.01882 -0.02338 -0.14678 93 4XX 0.00118 0.00187 -0.00199 0.00391 -0.00258 94 4YY 0.00075 -0.00015 0.00344 -0.00457 0.00514 95 4ZZ -0.00531 0.00328 -0.00518 0.00216 0.00789 96 4XY 0.00299 0.00103 -0.00293 0.00875 -0.00001 97 4XZ 0.00500 -0.00126 0.00382 -0.00320 -0.00111 98 4YZ 0.00219 -0.00103 -0.00154 -0.00329 0.00656 99 11 C 1S 0.03875 0.02863 0.04010 -0.07659 -0.01476 100 2S -0.06678 -0.02467 -0.04731 0.08634 0.03578 101 2PX 0.03503 0.03413 -0.03616 0.11279 0.00569 102 2PY -0.03049 -0.14311 -0.00842 0.06739 0.00098 103 2PZ 0.03284 0.05725 0.03560 -0.03705 -0.02026 104 3S -0.55901 -0.61038 -0.70111 1.35306 0.17862 105 3PX 0.14156 0.00667 -0.14210 0.28882 0.01982 106 3PY -0.20841 -0.38631 0.01360 0.23097 0.04151 107 3PZ 0.02795 0.27387 0.09444 -0.10216 -0.03393 108 4XX 0.00245 0.00113 0.00289 -0.00415 -0.01038 109 4YY -0.00340 0.00825 -0.00323 -0.00280 0.00552 110 4ZZ 0.00726 -0.00251 0.00818 -0.00837 0.00292 111 4XY 0.00531 -0.00537 0.00067 0.00396 0.00650 112 4XZ -0.00003 0.00373 -0.00169 0.00431 -0.00254 113 4YZ 0.00441 0.00873 0.00159 -0.00135 -0.00439 114 12 C 1S -0.01073 -0.05986 -0.03678 0.05103 -0.02086 115 2S 0.02905 0.06971 0.04092 -0.04432 0.02059 116 2PX -0.16778 0.00199 -0.04063 -0.02762 0.05110 117 2PY -0.01195 -0.10932 0.04031 -0.07652 0.03204 118 2PZ -0.10788 -0.02450 -0.01909 -0.08720 -0.11747 119 3S 0.06433 0.95770 0.64266 -0.93511 0.43643 120 3PX -0.38124 -0.03165 -0.19219 0.05687 0.02928 121 3PY 0.08436 -0.26322 0.22634 -0.37260 0.11588 122 3PZ -0.28504 -0.12399 0.02781 -0.31544 -0.33894 123 4XX -0.00287 0.00091 -0.00004 0.00075 0.00761 124 4YY 0.00658 -0.01881 0.00261 -0.00025 -0.00021 125 4ZZ -0.00428 0.00748 -0.00907 0.01053 -0.01174 126 4XY 0.00818 0.00199 0.00511 -0.00843 -0.00144 127 4XZ 0.00306 -0.00184 0.00618 -0.00951 -0.00332 128 4YZ 0.00235 -0.00192 -0.00156 0.01453 0.00899 129 13 C 1S -0.01075 0.05986 -0.03681 0.05103 -0.02086 130 2S 0.02907 -0.06971 0.04096 -0.04431 0.02058 131 2PX -0.16777 -0.00202 -0.04063 -0.02763 0.05112 132 2PY 0.01195 -0.10932 -0.04026 0.07653 -0.03208 133 2PZ -0.10791 0.02450 -0.01912 -0.08719 -0.11749 134 3S 0.06459 -0.95769 0.64317 -0.93509 0.43632 135 3PX -0.38115 0.03159 -0.19221 0.05685 0.02939 136 3PY -0.08432 -0.26323 -0.22622 0.37259 -0.11599 137 3PZ -0.28518 0.12406 0.02767 -0.31541 -0.33901 138 4XX -0.00287 -0.00092 -0.00004 0.00075 0.00760 139 4YY 0.00658 0.01881 0.00259 -0.00025 -0.00021 140 4ZZ -0.00428 -0.00748 -0.00907 0.01053 -0.01175 141 4XY -0.00818 0.00199 -0.00511 0.00843 0.00144 142 4XZ 0.00306 0.00185 0.00618 -0.00951 -0.00331 143 4YZ -0.00235 -0.00191 0.00156 -0.01453 -0.00899 144 14 C 1S 0.03875 -0.02862 0.04012 -0.07658 -0.01476 145 2S -0.06678 0.02466 -0.04732 0.08632 0.03576 146 2PX 0.03500 -0.03413 -0.03614 0.11282 0.00569 147 2PY 0.03048 -0.14311 0.00847 -0.06734 -0.00103 148 2PZ 0.03284 -0.05726 0.03563 -0.03704 -0.02025 149 3S -0.55897 0.61025 -0.70139 1.35290 0.17876 150 3PX 0.14147 -0.00668 -0.14210 0.28889 0.01986 151 3PY 0.20846 -0.38633 -0.01345 -0.23084 -0.04155 152 3PZ 0.02800 -0.27390 0.09455 -0.10211 -0.03402 153 4XX 0.00245 -0.00113 0.00289 -0.00415 -0.01038 154 4YY -0.00340 -0.00826 -0.00322 -0.00280 0.00551 155 4ZZ 0.00726 0.00251 0.00818 -0.00837 0.00292 156 4XY -0.00531 -0.00537 -0.00067 -0.00396 -0.00650 157 4XZ -0.00004 -0.00373 -0.00169 0.00430 -0.00254 158 4YZ -0.00441 0.00873 -0.00160 0.00135 0.00440 159 15 C 1S -0.01638 -0.04665 -0.02161 0.03046 0.01228 160 2S 0.01240 0.06373 0.03364 -0.05120 0.02413 161 2PX -0.00405 -0.02737 0.01578 -0.00053 0.03376 162 2PY -0.03525 -0.05580 -0.03165 0.05935 0.03637 163 2PZ 0.00913 0.08516 0.00794 -0.01687 -0.08868 164 3S 0.32950 0.90880 0.32110 -0.52057 -0.33658 165 3PX -0.03706 -0.13776 0.00781 -0.02155 0.08915 166 3PY -0.18547 -0.00779 -0.13093 0.27132 0.13035 167 3PZ 0.03146 0.32734 -0.01896 -0.02340 -0.14661 168 4XX 0.00118 -0.00186 -0.00199 0.00391 -0.00258 169 4YY 0.00075 0.00015 0.00344 -0.00457 0.00514 170 4ZZ -0.00531 -0.00328 -0.00518 0.00216 0.00789 171 4XY -0.00299 0.00103 0.00293 -0.00875 0.00001 172 4XZ 0.00500 0.00127 0.00382 -0.00320 -0.00111 173 4YZ -0.00219 -0.00103 0.00155 0.00329 -0.00656 174 16 H 1S -0.01827 0.02214 -0.02947 0.00960 0.03453 175 2S -0.27524 0.76872 -0.23435 0.42947 0.44792 176 17 H 1S -0.00681 0.05584 -0.00741 -0.03199 0.01185 177 2S 0.46488 0.83273 0.25595 -0.79436 -0.11457 178 18 H 1S -0.02560 0.01225 -0.01916 -0.01215 -0.06972 179 2S -0.58074 -0.31297 -0.39276 0.08080 -0.69643 180 19 H 1S -0.02560 -0.01223 -0.01916 -0.01215 -0.06974 181 2S -0.58088 0.31306 -0.39296 0.08076 -0.69653 182 20 H 1S -0.00681 -0.05585 -0.00738 -0.03198 0.01183 183 2S 0.46491 -0.83275 0.25632 -0.79415 -0.11474 184 21 H 1S -0.01828 -0.02216 -0.02946 0.00961 0.03452 185 2S -0.27524 -0.76891 -0.23406 0.42959 0.44755 186 22 H 1S 0.02812 -0.00542 0.02549 -0.01991 0.02740 187 2S 0.59853 -0.20441 -0.04698 0.47490 -0.12250 188 23 H 1S 0.02812 0.00542 0.02549 -0.01991 0.02740 189 2S 0.59846 0.20447 -0.04706 0.47491 -0.12254 56 57 58 59 60 V V V V V Eigenvalues -- 0.19723 0.20300 0.21251 0.24290 0.24319 1 1 C 1S -0.05191 0.00385 0.04856 0.01475 0.01215 2 2S 0.07145 -0.03030 -0.09898 -0.03112 -0.03562 3 2PX -0.05301 -0.04202 0.06705 0.04131 0.02984 4 2PY -0.01395 0.02035 0.14944 0.03571 0.03126 5 2PZ -0.14408 -0.00064 0.03281 -0.03396 0.03682 6 3S 0.84144 0.21167 -0.67246 -0.15625 -0.05582 7 3PX 0.08799 -0.06382 0.07674 -0.00534 0.09247 8 3PY -0.06117 0.31898 0.25521 0.04079 0.19873 9 3PZ -0.42813 0.03399 0.02939 -0.02911 0.11189 10 4XX -0.00322 0.00274 0.00243 0.00301 0.00195 11 4YY -0.01198 0.00214 0.00277 -0.00133 -0.00173 12 4ZZ -0.00083 -0.00234 0.00044 0.00118 -0.00062 13 4XY 0.00185 0.00137 0.01313 0.00719 0.00077 14 4XZ 0.00345 -0.00008 -0.00096 -0.00143 -0.00572 15 4YZ 0.00719 -0.00171 -0.00855 -0.00369 -0.00261 16 2 C 1S 0.05191 -0.00385 0.04855 0.01494 -0.01196 17 2S -0.07145 0.03030 -0.09896 -0.03165 0.03522 18 2PX 0.05300 0.04202 0.06703 0.04175 -0.02928 19 2PY -0.01397 0.02035 -0.14943 -0.03611 0.03080 20 2PZ 0.14408 0.00065 0.03278 -0.03339 -0.03729 21 3S -0.84147 -0.21174 -0.67242 -0.15754 0.05384 22 3PX -0.08801 0.06382 0.07672 -0.00416 -0.09251 23 3PY -0.06123 0.31895 -0.25514 -0.04329 0.19824 24 3PZ 0.42814 -0.03394 0.02927 -0.02732 -0.11228 25 4XX 0.00322 -0.00275 0.00243 0.00303 -0.00191 26 4YY 0.01198 -0.00214 0.00277 -0.00135 0.00171 27 4ZZ 0.00083 0.00234 0.00044 0.00117 0.00063 28 4XY 0.00185 0.00137 -0.01313 -0.00720 0.00068 29 4XZ -0.00345 0.00008 -0.00096 -0.00151 0.00570 30 4YZ 0.00719 -0.00171 0.00855 0.00373 -0.00256 31 3 C 1S 0.00001 0.00001 -0.11819 -0.00800 -0.00005 32 2S -0.00001 -0.00002 0.18985 0.02422 0.00016 33 2PX -0.00002 -0.00002 0.23621 0.03425 0.00022 34 2PY 0.02594 -0.03022 0.00000 0.00041 -0.05934 35 2PZ 0.00001 0.00000 0.00881 -0.04432 -0.00030 36 3S -0.00011 -0.00014 1.61133 0.09494 0.00058 37 3PX -0.00007 -0.00008 0.92941 0.05217 0.00033 38 3PY -0.01404 -0.21541 0.00004 0.00132 -0.20291 39 3PZ 0.00003 0.00000 -0.10532 -0.11784 -0.00079 40 4XX 0.00000 0.00000 -0.00113 0.00294 0.00002 41 4YY 0.00000 0.00000 -0.02811 -0.00801 -0.00005 42 4ZZ 0.00000 0.00000 0.02830 0.00730 0.00005 43 4XY 0.00036 0.00227 0.00000 -0.00003 0.00526 44 4XZ 0.00000 0.00000 0.01327 0.00178 0.00001 45 4YZ -0.00531 -0.00119 0.00000 -0.00001 0.00037 46 4 O 1S 0.00301 0.00577 0.03322 -0.00517 0.00176 47 2S -0.00955 -0.00168 -0.03136 0.02446 0.00501 48 2PX -0.00779 0.03862 0.16267 0.06640 0.05262 49 2PY -0.02378 -0.01748 -0.21560 -0.02121 -0.01319 50 2PZ 0.04721 -0.01212 -0.13279 -0.01025 -0.03869 51 3S -0.00448 -0.11732 -0.53483 0.00064 -0.04986 52 3PX 0.00147 0.06963 0.31830 0.08524 0.08221 53 3PY -0.00395 -0.06787 -0.47988 -0.03373 -0.04641 54 3PZ 0.07387 -0.01843 -0.23589 -0.02505 -0.07575 55 4XX -0.00325 0.00254 0.00765 -0.00207 0.00451 56 4YY -0.00283 -0.00025 0.01361 0.00675 0.00186 57 4ZZ 0.00685 0.00603 0.01906 0.00284 0.00114 58 4XY 0.00372 0.00213 -0.00368 -0.00088 0.00090 59 4XZ -0.00372 -0.00092 0.01160 0.00226 0.00077 60 4YZ -0.00212 -0.00105 0.00748 0.00186 -0.00035 61 5 H 1S -0.02919 0.00182 -0.02290 -0.00266 0.01252 62 2S -0.86404 0.15941 0.60044 0.08300 0.27191 63 6 H 1S 0.02920 -0.00181 -0.02291 -0.00247 -0.01256 64 2S 0.86412 -0.15932 0.60029 0.08708 -0.27092 65 7 H 1S 0.00000 0.00000 0.04472 0.00891 0.00006 66 2S 0.00001 0.00000 0.01723 -0.08209 -0.00054 67 8 O 1S -0.00302 -0.00578 0.03323 -0.00514 -0.00184 68 2S 0.00956 0.00169 -0.03137 0.02453 -0.00468 69 2PX 0.00777 -0.03863 0.16266 0.06710 -0.05174 70 2PY -0.02381 -0.01752 0.21562 0.02136 -0.01292 71 2PZ -0.04721 0.01212 -0.13276 -0.01079 0.03856 72 3S 0.00459 0.11748 -0.53488 -0.00004 0.04991 73 3PX -0.00151 -0.06965 0.31829 0.08628 -0.08107 74 3PY -0.00402 -0.06795 0.47992 0.03433 -0.04601 75 3PZ -0.07386 0.01843 -0.23583 -0.02607 0.07541 76 4XX 0.00325 -0.00254 0.00765 -0.00201 -0.00453 77 4YY 0.00282 0.00025 0.01361 0.00678 -0.00177 78 4ZZ -0.00685 -0.00603 0.01907 0.00285 -0.00110 79 4XY 0.00372 0.00213 0.00367 0.00087 0.00091 80 4XZ 0.00372 0.00092 0.01160 0.00227 -0.00074 81 4YZ -0.00211 -0.00105 -0.00748 -0.00185 -0.00037 82 9 H 1S 0.00000 0.00000 0.04826 0.02840 0.00019 83 2S 0.00001 0.00005 -0.49716 0.11703 0.00080 84 10 C 1S 0.01358 -0.08144 0.00854 -0.01346 -0.00891 85 2S -0.01511 0.15593 -0.01269 0.02831 0.01004 86 2PX 0.01892 -0.06568 0.04564 -0.04080 0.11688 87 2PY 0.02536 0.03853 -0.02355 0.10155 -0.06134 88 2PZ 0.03703 0.07641 -0.03237 0.09061 -0.09052 89 3S -0.07333 0.80292 -0.24610 0.49070 0.29681 90 3PX 0.09680 -0.45276 0.04781 -0.27441 0.33428 91 3PY 0.04506 0.40556 -0.14589 0.40797 -0.31346 92 3PZ 0.02021 0.68199 -0.06210 0.41207 -0.47771 93 4XX 0.00275 0.00136 0.00256 -0.00208 -0.00239 94 4YY 0.00810 -0.01527 -0.00033 -0.00928 -0.00681 95 4ZZ -0.00074 -0.00357 -0.00316 0.01505 0.00905 96 4XY 0.00094 -0.00451 0.00132 0.00566 0.00498 97 4XZ -0.00206 -0.00025 0.00112 -0.00852 0.00088 98 4YZ -0.00087 0.00605 -0.00086 0.00946 -0.00348 99 11 C 1S -0.00058 0.05802 -0.01864 -0.03471 -0.01148 100 2S 0.01448 -0.11048 0.02462 0.04160 0.03784 101 2PX 0.00343 0.02138 0.01889 0.15790 -0.02828 102 2PY 0.07824 -0.07858 0.04653 -0.20947 -0.05600 103 2PZ 0.04759 -0.00389 -0.00186 -0.12865 -0.03699 104 3S -0.01043 -0.53225 0.30062 0.60543 -0.08091 105 3PX -0.26924 0.18459 -0.08921 0.65791 -0.03103 106 3PY 0.34009 -0.71460 0.20162 -1.02042 -0.14683 107 3PZ 0.01909 -0.06269 0.07266 -0.59249 -0.44189 108 4XX 0.00408 0.00397 -0.00437 -0.00472 0.00316 109 4YY -0.00064 -0.00246 -0.00223 -0.00068 -0.00228 110 4ZZ -0.00293 0.01009 0.00200 0.00087 -0.00224 111 4XY -0.00897 0.00172 0.00236 0.00645 0.00669 112 4XZ 0.00161 -0.00982 0.00093 -0.00057 -0.00080 113 4YZ 0.00412 -0.00893 -0.00325 -0.00340 -0.02065 114 12 C 1S -0.09118 -0.02793 -0.00938 0.04413 0.05506 115 2S 0.06291 0.07105 0.00255 -0.02785 -0.06315 116 2PX 0.17533 0.00053 0.02549 0.09837 0.20214 117 2PY -0.03145 0.07778 0.01901 -0.03915 0.25394 118 2PZ 0.05795 -0.00878 -0.05156 -0.06857 0.02328 119 3S 1.81743 0.05429 0.24802 -0.97944 -0.91112 120 3PX 0.49519 0.16657 -0.04075 0.63830 0.81520 121 3PY -0.46504 0.46363 0.02937 -0.24132 1.08586 122 3PZ 0.37407 -0.19095 -0.10860 -0.64502 0.05880 123 4XX -0.00349 -0.00390 0.00460 0.01000 -0.00593 124 4YY -0.01318 -0.00021 -0.00162 -0.00185 0.02273 125 4ZZ -0.00485 -0.00575 -0.00570 0.00020 -0.00880 126 4XY 0.00358 0.00078 -0.00328 -0.00844 0.00642 127 4XZ 0.00232 0.00509 0.00017 -0.02495 -0.00667 128 4YZ 0.00325 -0.00258 0.00857 0.01165 -0.00212 129 13 C 1S 0.09117 0.02792 -0.00938 0.04488 -0.05445 130 2S -0.06290 -0.07105 0.00254 -0.02871 0.06276 131 2PX -0.17533 -0.00054 0.02545 0.10117 -0.20081 132 2PY -0.03147 0.07778 -0.01902 0.03584 0.25443 133 2PZ -0.05800 0.00878 -0.05161 -0.06815 -0.02420 134 3S -1.81722 -0.05428 0.24800 -0.99191 0.89765 135 3PX -0.49519 -0.16666 -0.04100 0.64969 -0.80656 136 3PY -0.46513 0.46359 -0.02941 0.22711 1.08900 137 3PZ -0.37418 0.19095 -0.10878 -0.64374 -0.06745 138 4XX 0.00349 0.00390 0.00459 0.00992 0.00606 139 4YY 0.01318 0.00021 -0.00162 -0.00155 -0.02275 140 4ZZ 0.00485 0.00575 -0.00570 0.00008 0.00881 141 4XY 0.00358 0.00078 0.00328 0.00835 0.00654 142 4XZ -0.00232 -0.00509 0.00017 -0.02503 0.00634 143 4YZ 0.00325 -0.00259 -0.00857 -0.01162 -0.00228 144 14 C 1S 0.00059 -0.05802 -0.01864 -0.03488 0.01101 145 2S -0.01448 0.11048 0.02461 0.04213 -0.03727 146 2PX -0.00346 -0.02137 0.01889 0.15749 0.03043 147 2PY 0.07825 -0.07860 -0.04653 0.21026 -0.05317 148 2PZ -0.04758 0.00388 -0.00185 -0.12914 0.03522 149 3S 0.01022 0.53223 0.30053 0.60472 0.08900 150 3PX 0.26917 -0.18451 -0.08916 0.65738 0.04000 151 3PY 0.34010 -0.71468 -0.20170 1.02254 -0.13314 152 3PZ -0.01900 0.06254 0.07271 -0.59826 0.43370 153 4XX -0.00408 -0.00398 -0.00437 -0.00467 -0.00323 154 4YY 0.00064 0.00247 -0.00223 -0.00071 0.00228 155 4ZZ 0.00293 -0.01010 0.00200 0.00083 0.00225 156 4XY -0.00897 0.00172 -0.00236 -0.00654 0.00660 157 4XZ -0.00161 0.00982 0.00093 -0.00058 0.00079 158 4YZ 0.00412 -0.00893 0.00325 0.00368 -0.02060 159 15 C 1S -0.01358 0.08144 0.00855 -0.01359 0.00873 160 2S 0.01511 -0.15593 -0.01271 0.02846 -0.00966 161 2PX -0.01892 0.06568 0.04563 -0.03923 -0.11744 162 2PY 0.02537 0.03855 0.02354 -0.10069 -0.06273 163 2PZ -0.03704 -0.07642 -0.03240 0.08942 0.09171 164 3S 0.07333 -0.80291 -0.24625 0.49485 -0.28999 165 3PX -0.09675 0.45275 0.04783 -0.26995 -0.33794 166 3PY 0.04506 0.40570 0.14589 -0.40362 -0.31910 167 3PZ -0.02027 -0.68198 -0.06220 0.40578 0.48311 168 4XX -0.00275 -0.00136 0.00256 -0.00212 0.00236 169 4YY -0.00810 0.01527 -0.00033 -0.00937 0.00668 170 4ZZ 0.00073 0.00357 -0.00316 0.01517 -0.00885 171 4XY 0.00094 -0.00451 -0.00132 -0.00572 0.00491 172 4XZ 0.00206 0.00025 0.00112 -0.00851 -0.00099 173 4YZ -0.00087 0.00605 0.00086 -0.00942 -0.00360 174 16 H 1S -0.00209 -0.04002 -0.00955 0.03895 0.01464 175 2S -0.01973 -1.34338 0.25770 -0.77703 0.66839 176 17 H 1S 0.00845 0.03282 -0.01909 0.00880 -0.02682 177 2S -0.36717 1.00396 -0.35752 0.93294 0.07155 178 18 H 1S 0.00073 -0.02880 -0.03634 -0.07044 -0.02641 179 2S -0.04339 -0.42282 -0.30452 -0.11752 0.14995 180 19 H 1S -0.00074 0.02879 -0.03636 -0.07077 0.02545 181 2S 0.04321 0.42276 -0.30476 -0.11477 -0.15141 182 20 H 1S -0.00845 -0.03282 -0.01910 0.00848 0.02694 183 2S 0.36723 -1.00402 -0.35756 0.93382 -0.05893 184 21 H 1S 0.00209 0.04002 -0.00955 0.03916 -0.01410 185 2S 0.01981 1.34344 0.25785 -0.76814 -0.67883 186 22 H 1S -0.00808 -0.01987 0.01887 -0.04123 -0.04950 187 2S -1.16683 -0.37629 -0.02343 -0.13004 -0.96481 188 23 H 1S 0.00809 0.01987 0.01888 -0.04189 0.04893 189 2S 1.16683 0.37631 -0.02312 -0.14326 0.96295 61 62 63 64 65 V V V V V Eigenvalues -- 0.24789 0.30577 0.31743 0.32867 0.37584 1 1 C 1S 0.04396 0.01573 -0.00554 -0.01646 -0.10929 2 2S -0.08045 -0.02064 0.02752 -0.02446 0.10566 3 2PX 0.05161 0.03567 -0.00337 0.14071 -0.11457 4 2PY -0.00206 -0.01256 0.01336 0.23688 0.16471 5 2PZ 0.11187 0.08273 -0.03872 -0.09506 0.24875 6 3S -0.76699 -0.31111 0.13433 1.23618 2.60517 7 3PX -0.10679 -0.13951 0.05312 0.67950 -1.08503 8 3PY -0.16422 -0.05982 -0.08660 1.77574 1.84288 9 3PZ 0.44618 0.23759 -0.00804 -0.36181 1.04337 10 4XX 0.00363 0.00040 0.00157 0.00173 0.01134 11 4YY 0.00763 0.00533 0.00593 -0.02372 -0.02631 12 4ZZ -0.00130 0.00168 -0.00284 0.00711 0.00871 13 4XY -0.00036 0.00089 -0.00608 -0.00492 -0.00248 14 4XZ -0.00694 -0.00197 -0.00531 -0.01626 0.01081 15 4YZ -0.00414 -0.00114 -0.00177 -0.00045 -0.00496 16 2 C 1S -0.04397 -0.01574 -0.00553 0.01646 0.10929 17 2S 0.08046 0.02065 0.02751 0.02445 -0.10566 18 2PX -0.05161 -0.03568 -0.00339 -0.14073 0.11457 19 2PY -0.00201 -0.01253 -0.01333 0.23689 0.16474 20 2PZ -0.11190 -0.08274 -0.03869 0.09509 -0.24874 21 3S 0.76722 0.31123 0.13409 -1.23614 -2.60514 22 3PX 0.10679 0.13951 0.05295 -0.67957 1.08496 23 3PY -0.16407 -0.05974 0.08686 1.77569 1.84301 24 3PZ -0.44626 -0.23760 -0.00790 0.36195 -1.04322 25 4XX -0.00363 -0.00040 0.00157 -0.00173 -0.01134 26 4YY -0.00764 -0.00533 0.00593 0.02372 0.02631 27 4ZZ 0.00130 -0.00168 -0.00284 -0.00711 -0.00871 28 4XY -0.00036 0.00089 0.00608 -0.00492 -0.00248 29 4XZ 0.00694 0.00197 -0.00531 0.01626 -0.01081 30 4YZ -0.00414 -0.00114 0.00177 -0.00045 -0.00496 31 3 C 1S 0.00001 0.00000 -0.00291 0.00000 0.00000 32 2S -0.00001 0.00000 -0.00490 0.00000 0.00000 33 2PX 0.00000 0.00000 0.00337 0.00000 -0.00001 34 2PY -0.02140 0.00191 -0.00001 -0.03253 0.34540 35 2PZ -0.00001 0.00000 -0.00930 0.00000 0.00002 36 3S -0.00008 0.00001 0.02544 -0.00002 0.00003 37 3PX -0.00004 0.00002 0.04978 0.00000 0.00002 38 3PY 0.08064 0.01691 -0.00007 -0.94188 -0.13281 39 3PZ -0.00003 -0.00001 -0.02530 -0.00005 -0.00002 40 4XX 0.00000 0.00000 -0.00107 0.00000 0.00000 41 4YY 0.00000 0.00000 -0.00498 0.00000 0.00000 42 4ZZ 0.00000 0.00000 0.00101 0.00000 0.00000 43 4XY -0.00121 0.00071 0.00000 0.01231 -0.02169 44 4XZ 0.00000 0.00000 0.00178 0.00000 0.00000 45 4YZ 0.00467 -0.00091 0.00000 0.00449 0.00612 46 4 O 1S -0.00148 0.00156 0.00070 -0.02052 0.03944 47 2S 0.01865 0.01698 -0.00101 0.05547 -0.02453 48 2PX 0.00887 0.00540 0.00417 0.21009 -0.19610 49 2PY 0.03113 -0.00189 -0.01646 -0.07452 -0.00619 50 2PZ -0.03826 -0.00242 -0.01078 -0.13829 0.12041 51 3S -0.05972 -0.10217 -0.02470 0.19565 -0.93451 52 3PX -0.05484 -0.04175 -0.00460 0.50963 -0.38665 53 3PY 0.02177 0.00085 0.00415 -0.20642 -0.29362 54 3PZ -0.02750 0.00811 -0.00109 -0.33755 0.26321 55 4XX 0.00186 0.00650 -0.00257 0.00338 0.01617 56 4YY 0.00868 0.00745 0.00171 -0.00974 0.00150 57 4ZZ -0.00262 0.00356 0.00178 0.00277 0.02686 58 4XY -0.00533 0.00117 0.00085 0.02203 0.02847 59 4XZ 0.00537 0.00134 0.00106 0.00176 0.01164 60 4YZ 0.00365 0.00513 -0.00050 -0.01349 -0.00895 61 5 H 1S 0.03617 0.02344 0.00051 0.04908 -0.07988 62 2S 0.69417 0.35895 -0.21823 0.30162 1.11702 63 6 H 1S -0.03619 -0.02344 0.00051 -0.04909 0.07987 64 2S -0.69447 -0.35909 -0.21816 -0.30165 -1.11708 65 7 H 1S 0.00000 0.00000 0.00936 0.00000 0.00000 66 2S -0.00001 0.00000 0.00357 0.00000 -0.00001 67 8 O 1S 0.00148 -0.00156 0.00071 0.02052 -0.03944 68 2S -0.01865 -0.01699 -0.00102 -0.05547 0.02453 69 2PX -0.00887 -0.00540 0.00414 -0.21010 0.19610 70 2PY 0.03111 -0.00188 0.01644 -0.07454 -0.00617 71 2PZ 0.03829 0.00243 -0.01075 0.13829 -0.12041 72 3S 0.05973 0.10211 -0.02478 -0.19565 0.93447 73 3PX 0.05482 0.04173 -0.00469 -0.50963 0.38666 74 3PY 0.02172 0.00086 -0.00418 -0.20647 -0.29356 75 3PZ 0.02755 -0.00809 -0.00103 0.33755 -0.26323 76 4XX -0.00186 -0.00650 -0.00257 -0.00338 -0.01617 77 4YY -0.00868 -0.00745 0.00171 0.00974 -0.00150 78 4ZZ 0.00263 -0.00356 0.00178 -0.00278 -0.02686 79 4XY -0.00533 0.00117 -0.00085 0.02203 0.02847 80 4XZ -0.00538 -0.00134 0.00106 -0.00176 -0.01163 81 4YZ 0.00365 0.00513 0.00050 -0.01349 -0.00895 82 9 H 1S 0.00000 0.00000 0.00406 0.00000 0.00000 83 2S 0.00007 0.00000 0.02606 0.00000 0.00000 84 10 C 1S -0.01996 0.04516 -0.06143 0.01582 -0.01482 85 2S 0.01987 -0.05050 0.04015 -0.03190 0.00785 86 2PX -0.03743 0.06468 0.03421 -0.03044 -0.01095 87 2PY -0.06445 0.19071 0.04303 0.01173 0.02407 88 2PZ 0.10282 0.02040 -0.14396 0.04149 -0.04375 89 3S 0.47208 -1.31396 2.01158 -0.39164 0.65601 90 3PX -0.21319 0.24057 0.29161 -0.08910 0.06457 91 3PY -0.25083 1.30180 0.74302 0.15885 -0.23454 92 3PZ 0.44815 -0.07474 -1.18412 0.20499 -0.43595 93 4XX 0.00195 -0.00435 0.00310 0.00270 -0.00744 94 4YY -0.01177 0.02230 0.00821 0.00181 0.00672 95 4ZZ 0.00582 -0.01556 -0.02128 -0.00652 0.00175 96 4XY -0.00184 -0.00179 -0.01164 -0.00157 -0.00108 97 4XZ -0.00625 0.01613 -0.00159 -0.00120 -0.01036 98 4YZ 0.00581 -0.00175 0.03136 -0.00042 -0.00211 99 11 C 1S -0.02261 0.05271 0.05187 -0.01302 0.00627 100 2S 0.02687 -0.06034 -0.04467 -0.01094 0.06160 101 2PX 0.01664 -0.16499 0.06291 0.05346 0.00465 102 2PY -0.02357 0.03928 0.12541 0.02926 -0.00236 103 2PZ -0.05210 0.02394 -0.22903 0.01018 0.01484 104 3S 0.62013 -1.30297 -1.51926 0.39137 -0.48306 105 3PX -0.00409 -0.63322 0.41282 0.00990 0.00147 106 3PY -0.09870 0.09443 0.87560 -0.10818 0.31435 107 3PZ -0.12174 0.28330 -1.42293 0.09616 -0.19168 108 4XX 0.00045 0.00791 -0.00035 0.01061 -0.00651 109 4YY 0.01373 -0.01972 -0.00194 -0.00875 0.00471 110 4ZZ -0.01529 0.01836 0.00955 -0.00543 0.00785 111 4XY -0.01026 -0.00893 0.00473 -0.01042 -0.01102 112 4XZ 0.00452 -0.01095 0.00359 0.00040 -0.00053 113 4YZ 0.00072 0.01669 -0.01763 0.00294 -0.00668 114 12 C 1S 0.01095 -0.01792 0.01192 0.00336 0.00384 115 2S -0.00009 0.02396 -0.00976 0.00579 -0.01644 116 2PX 0.12725 -0.09751 0.00801 -0.07065 0.00514 117 2PY -0.19873 0.14027 -0.07226 -0.04719 -0.02481 118 2PZ 0.18133 0.24951 -0.03182 0.02269 0.02768 119 3S -0.25327 0.27013 -0.49719 -0.19208 0.07195 120 3PX 0.65381 -0.41296 0.11296 -0.05740 0.02039 121 3PY -0.70985 0.52203 -0.29492 -0.22117 -0.12658 122 3PZ 0.61565 1.00781 0.12910 0.02510 0.17227 123 4XX 0.00762 0.00338 -0.00197 -0.01236 0.00457 124 4YY -0.01257 0.00850 0.01260 -0.00219 -0.00102 125 4ZZ 0.01054 -0.01302 -0.01021 0.01119 0.00075 126 4XY 0.00378 -0.00259 -0.02351 -0.00266 -0.00149 127 4XZ -0.00331 0.01072 0.00382 -0.00301 -0.00017 128 4YZ 0.00446 0.00441 0.00493 0.00142 -0.00077 129 13 C 1S -0.01092 0.01793 0.01192 -0.00337 -0.00384 130 2S 0.00007 -0.02396 -0.00977 -0.00579 0.01644 131 2PX -0.12714 0.09751 0.00803 0.07066 -0.00514 132 2PY -0.19871 0.14033 0.07219 -0.04720 -0.02481 133 2PZ -0.18137 -0.24948 -0.03177 -0.02267 -0.02768 134 3S 0.25262 -0.27032 -0.49715 0.19225 -0.07199 135 3PX -0.65329 0.41299 0.11299 0.05735 -0.02036 136 3PY -0.70971 0.52226 0.29467 -0.22124 -0.12656 137 3PZ -0.61605 -1.00769 0.12937 -0.02507 -0.17225 138 4XX -0.00761 -0.00337 -0.00197 0.01236 -0.00458 139 4YY 0.01256 -0.00850 0.01261 0.00219 0.00102 140 4ZZ -0.01054 0.01302 -0.01021 -0.01118 -0.00075 141 4XY 0.00379 -0.00258 0.02351 -0.00267 -0.00149 142 4XZ 0.00330 -0.01072 0.00383 0.00302 0.00017 143 4YZ 0.00446 0.00441 -0.00493 0.00142 -0.00077 144 14 C 1S 0.02259 -0.05270 0.05189 0.01301 -0.00627 145 2S -0.02686 0.06033 -0.04468 0.01095 -0.06161 146 2PX -0.01656 0.16501 0.06290 -0.05349 -0.00466 147 2PY -0.02343 0.03927 -0.12536 0.02927 -0.00238 148 2PZ 0.05201 -0.02396 -0.22905 -0.01011 -0.01485 149 3S -0.61989 1.30270 -1.51974 -0.39116 0.48309 150 3PX 0.00443 0.63333 0.41278 -0.01003 -0.00152 151 3PY -0.09804 0.09437 -0.87540 -0.10808 0.31430 152 3PZ 0.12141 -0.28350 -1.42319 -0.09589 0.19171 153 4XX -0.00045 -0.00791 -0.00035 -0.01061 0.00651 154 4YY -0.01374 0.01971 -0.00195 0.00875 -0.00471 155 4ZZ 0.01529 -0.01835 0.00957 0.00543 -0.00785 156 4XY -0.01027 -0.00893 -0.00473 -0.01042 -0.01102 157 4XZ -0.00452 0.01094 0.00359 -0.00041 0.00052 158 4YZ 0.00072 0.01670 0.01763 0.00294 -0.00668 159 15 C 1S 0.01995 -0.04518 -0.06143 -0.01581 0.01482 160 2S -0.01986 0.05050 0.04014 0.03190 -0.00786 161 2PX 0.03739 -0.06468 0.03423 0.03043 0.01095 162 2PY -0.06448 0.19070 -0.04304 0.01175 0.02405 163 2PZ -0.10277 -0.02040 -0.14400 -0.04147 0.04375 164 3S -0.47180 1.31429 2.01156 0.39125 -0.65598 165 3PX 0.21305 -0.24058 0.29172 0.08906 -0.06454 166 3PY -0.25099 1.30166 -0.74305 0.15904 -0.23463 167 3PZ -0.44792 0.07475 -1.18446 -0.20477 0.43591 168 4XX -0.00195 0.00435 0.00309 -0.00270 0.00744 169 4YY 0.01177 -0.02230 0.00823 -0.00181 -0.00673 170 4ZZ -0.00580 0.01556 -0.02129 0.00653 -0.00175 171 4XY -0.00185 -0.00179 0.01164 -0.00157 -0.00108 172 4XZ 0.00624 -0.01613 -0.00158 0.00121 0.01037 173 4YZ 0.00581 -0.00176 -0.03135 -0.00041 -0.00212 174 16 H 1S 0.02295 -0.06790 0.08769 0.00284 0.02645 175 2S -0.45978 -0.17248 0.19509 -0.12657 0.18602 176 17 H 1S 0.06993 -0.07948 -0.02800 -0.03990 0.00381 177 2S 0.00795 0.10512 -0.41952 -0.12466 -0.15019 178 18 H 1S 0.06263 -0.00500 -0.03234 0.04677 0.00193 179 2S 1.30620 0.62462 0.18512 0.23521 0.19374 180 19 H 1S -0.06265 0.00502 -0.03237 -0.04676 -0.00193 181 2S -1.30605 -0.62453 0.18520 -0.23518 -0.19369 182 20 H 1S -0.06993 0.07948 -0.02802 0.03990 -0.00380 183 2S -0.00728 -0.10518 -0.41946 0.12467 0.15014 184 21 H 1S -0.02292 0.06792 0.08768 -0.00286 -0.02645 185 2S 0.45929 0.17253 0.19513 0.12657 -0.18602 186 22 H 1S -0.00580 0.01383 -0.04457 -0.02867 0.01233 187 2S -0.47117 -0.15886 0.07164 0.25755 -0.02319 188 23 H 1S 0.00577 -0.01386 -0.04456 0.02868 -0.01233 189 2S 0.47107 0.15894 0.07141 -0.25758 0.02319 66 67 68 69 70 V V V V V Eigenvalues -- 0.43553 0.47078 0.48268 0.48732 0.50574 1 1 C 1S -0.01374 -0.00813 0.01266 0.00986 0.01873 2 2S 0.03210 -0.19206 -0.08238 0.04561 -0.10559 3 2PX -0.05427 -0.08907 0.13668 -0.15301 0.04681 4 2PY -0.01514 -0.31213 0.03318 0.03259 0.15512 5 2PZ 0.00711 0.19943 -0.02999 -0.18412 -0.25120 6 3S 0.22173 0.04033 0.02823 -0.00042 0.07823 7 3PX 0.07279 0.10067 -0.13432 0.26858 -0.00666 8 3PY 0.00494 0.39984 0.15579 -0.11765 -0.13890 9 3PZ -0.00627 -0.28632 0.04603 0.14218 0.28001 10 4XX 0.00092 0.01306 -0.01044 0.01252 -0.01140 11 4YY 0.00052 -0.06762 -0.00205 0.00046 -0.00391 12 4ZZ -0.00005 0.01001 0.00933 0.00678 0.01966 13 4XY -0.00125 0.00023 0.00384 -0.00750 0.01783 14 4XZ 0.00356 0.03392 -0.00250 -0.01448 -0.01265 15 4YZ 0.00073 0.00280 -0.00341 0.01021 -0.00186 16 2 C 1S 0.01374 -0.00813 -0.01266 0.00985 0.01873 17 2S -0.03209 -0.19206 0.08232 0.04568 -0.10559 18 2PX 0.05430 -0.08906 -0.13655 -0.15311 0.04677 19 2PY -0.01518 0.31209 0.03317 -0.03257 -0.15506 20 2PZ -0.00713 0.19947 0.03011 -0.18411 -0.25121 21 3S -0.22174 0.04038 -0.02822 -0.00037 0.07823 22 3PX -0.07279 0.10064 0.13411 0.26864 -0.00663 23 3PY 0.00497 -0.39988 0.15573 0.11768 0.13889 24 3PZ 0.00629 -0.28633 -0.04610 0.14217 0.28006 25 4XX -0.00093 0.01306 0.01043 0.01253 -0.01140 26 4YY -0.00051 -0.06762 0.00205 0.00047 -0.00390 27 4ZZ 0.00005 0.01001 -0.00934 0.00677 0.01965 28 4XY -0.00125 -0.00023 0.00383 0.00751 -0.01783 29 4XZ -0.00356 0.03391 0.00251 -0.01448 -0.01265 30 4YZ 0.00073 -0.00280 -0.00339 -0.01021 0.00185 31 3 C 1S 0.00000 0.00507 0.00000 0.00298 0.01419 32 2S 0.00002 -0.28776 0.00009 -0.24092 -0.11605 33 2PX 0.00002 -0.37678 0.00017 -0.46277 -0.23480 34 2PY 0.07968 -0.00002 -0.21613 -0.00007 0.00001 35 2PZ 0.00000 0.16380 0.00001 -0.04640 -0.07758 36 3S -0.00005 0.77695 -0.00022 0.56221 0.14334 37 3PX -0.00005 0.81103 -0.00040 1.06137 0.33901 38 3PY -0.00706 0.00004 0.25592 0.00009 -0.00005 39 3PZ 0.00001 -0.35876 -0.00003 0.13596 0.27208 40 4XX 0.00000 -0.02731 0.00000 0.00533 0.01895 41 4YY 0.00000 0.04092 -0.00001 0.01631 0.01106 42 4ZZ 0.00000 -0.00173 0.00001 -0.02064 -0.01367 43 4XY -0.00517 0.00000 0.01083 0.00000 0.00000 44 4XZ 0.00000 0.00234 -0.00001 0.03194 0.00193 45 4YZ 0.00291 0.00000 0.00303 0.00000 0.00000 46 4 O 1S 0.00431 0.01240 -0.00557 -0.00027 -0.00861 47 2S -0.03215 -0.00216 0.01294 0.08493 0.06226 48 2PX -0.06333 -0.10439 0.05504 -0.05979 -0.02797 49 2PY 0.01037 0.06619 -0.01699 0.04711 0.10927 50 2PZ 0.00576 0.02802 -0.03816 -0.08033 -0.14346 51 3S 0.00764 -0.31771 0.07932 -0.41178 -0.20944 52 3PX -0.03930 0.07201 0.01409 -0.03379 -0.02314 53 3PY 0.00048 -0.28072 0.00127 -0.14213 -0.05480 54 3PZ 0.02362 0.03021 -0.01574 -0.09147 -0.03179 55 4XX -0.00494 0.03484 0.00566 0.01420 -0.00663 56 4YY -0.01062 -0.06146 0.00716 -0.01549 -0.00575 57 4ZZ -0.00236 0.03797 -0.01305 0.04759 0.01189 58 4XY 0.00460 0.02823 -0.02221 0.02600 0.00349 59 4XZ 0.00106 0.00413 0.00736 0.01174 0.03730 60 4YZ -0.00453 -0.01169 0.01165 -0.00595 0.00326 61 5 H 1S -0.02027 -0.12543 0.04233 0.08176 0.11494 62 2S -0.14684 0.00094 0.22680 -0.14811 0.09050 63 6 H 1S 0.02027 -0.12542 -0.04240 0.08173 0.11493 64 2S 0.14684 0.00100 -0.22667 -0.14823 0.09050 65 7 H 1S 0.00000 -0.00251 -0.00007 0.19724 0.08018 66 2S 0.00000 0.02737 -0.00008 0.20377 0.12769 67 8 O 1S -0.00431 0.01239 0.00557 -0.00026 -0.00861 68 2S 0.03215 -0.00215 -0.01298 0.08493 0.06224 69 2PX 0.06334 -0.10438 -0.05499 -0.05982 -0.02798 70 2PY 0.01037 -0.06620 -0.01697 -0.04711 -0.10925 71 2PZ -0.00577 0.02801 0.03821 -0.08030 -0.14346 72 3S -0.00759 -0.31774 -0.07903 -0.41185 -0.20941 73 3PX 0.03930 0.07201 -0.01407 -0.03381 -0.02318 74 3PY 0.00046 0.28073 0.00115 0.14214 0.05479 75 3PZ -0.02362 0.03024 0.01581 -0.09145 -0.03177 76 4XX 0.00493 0.03485 -0.00567 0.01420 -0.00663 77 4YY 0.01062 -0.06146 -0.00715 -0.01549 -0.00575 78 4ZZ 0.00235 0.03797 0.01302 0.04760 0.01189 79 4XY 0.00460 -0.02823 -0.02219 -0.02602 -0.00349 80 4XZ -0.00106 0.00413 -0.00737 0.01173 0.03730 81 4YZ -0.00453 0.01168 0.01164 0.00596 -0.00326 82 9 H 1S 0.00000 0.03606 0.00002 -0.06199 -0.02969 83 2S 0.00001 0.02044 0.00001 -0.03647 -0.12338 84 10 C 1S 0.09086 -0.00822 -0.03934 -0.01128 -0.00341 85 2S -0.02616 -0.05821 0.01513 -0.16103 -0.30050 86 2PX -0.08717 0.17996 0.01928 0.17624 -0.01691 87 2PY 0.17880 -0.04521 0.21590 0.25582 -0.10625 88 2PZ 0.06273 0.12360 -0.19482 -0.07015 0.17614 89 3S -3.40747 0.14681 1.77257 0.42107 0.32147 90 3PX -0.60497 -0.14813 0.49540 -0.19964 0.03216 91 3PY 2.40427 0.16112 1.52145 -0.30055 0.17415 92 3PZ 1.28378 -0.14780 -2.38724 0.03177 -0.18711 93 4XX -0.00366 0.00116 0.00032 0.00930 0.00716 94 4YY 0.01031 0.00334 0.02151 -0.05327 -0.02521 95 4ZZ -0.00674 -0.02075 -0.01182 0.00059 -0.04692 96 4XY -0.00265 -0.00773 0.00231 0.00505 -0.00581 97 4XZ 0.00371 0.00284 -0.00767 0.00929 0.02641 98 4YZ 0.01068 0.01671 -0.00622 -0.02107 0.00616 99 11 C 1S -0.07624 0.00677 0.04852 0.01038 -0.00190 100 2S 0.06357 -0.11355 0.00603 0.03889 -0.02980 101 2PX 0.08877 0.10277 0.12978 -0.14261 0.01786 102 2PY -0.12637 0.06460 0.06711 -0.04986 -0.03002 103 2PZ -0.16753 -0.08947 -0.11063 0.09095 -0.30095 104 3S 2.15784 -0.01096 -2.35266 -0.27965 -0.19077 105 3PX 0.72267 -0.04386 0.78412 0.34861 -0.10222 106 3PY -1.79905 -0.04519 1.08212 0.25083 0.14242 107 3PZ -0.25996 0.15697 -2.28322 -0.26737 0.48226 108 4XX -0.00392 -0.01018 -0.01327 -0.00327 0.02659 109 4YY -0.00238 0.00729 -0.00984 -0.00007 -0.00480 110 4ZZ 0.01308 -0.00746 0.02339 0.01634 -0.01567 111 4XY 0.00539 0.00748 0.00469 0.01586 -0.01495 112 4XZ -0.00925 0.01511 0.01108 0.01680 0.00322 113 4YZ 0.01643 0.01783 -0.01281 -0.02504 0.02607 114 12 C 1S 0.05513 -0.00112 -0.01133 0.00269 0.00001 115 2S 0.01998 -0.05975 0.00340 -0.03140 -0.02586 116 2PX 0.10088 0.13088 0.11107 0.09589 -0.10964 117 2PY -0.03741 0.13585 -0.20407 -0.18398 0.18497 118 2PZ -0.04931 0.07614 -0.06178 -0.08314 -0.07395 119 3S -1.77135 0.12258 0.10743 -0.00961 0.18515 120 3PX 1.19943 -0.12346 0.31843 -0.10200 0.06932 121 3PY 0.28969 -0.11905 -1.16082 0.16093 -0.20109 122 3PZ -1.29968 -0.12804 0.01330 0.13427 0.09842 123 4XX 0.01214 0.02857 0.02012 -0.00499 -0.00666 124 4YY -0.00252 -0.02827 -0.00834 0.02648 -0.03811 125 4ZZ -0.00424 -0.01171 -0.01227 -0.02124 0.04464 126 4XY 0.00208 0.01469 -0.00866 0.00407 -0.02390 127 4XZ -0.02779 0.00251 0.00736 0.01477 -0.02430 128 4YZ 0.00111 0.01623 0.00118 -0.00475 -0.00338 129 13 C 1S -0.05513 -0.00113 0.01133 0.00270 0.00002 130 2S -0.01997 -0.05974 -0.00338 -0.03141 -0.02585 131 2PX -0.10089 0.13089 -0.11113 0.09580 -0.10962 132 2PY -0.03744 -0.13583 -0.20415 0.18384 -0.18499 133 2PZ 0.04928 0.07616 0.06182 -0.08306 -0.07396 134 3S 1.77133 0.12266 -0.10749 -0.00962 0.18515 135 3PX -1.19952 -0.12362 -0.31825 -0.10225 0.06933 136 3PY 0.28944 0.11896 -1.16078 -0.16171 0.20114 137 3PZ 1.29959 -0.12795 -0.01357 0.13429 0.09844 138 4XX -0.01215 0.02857 -0.02013 -0.00501 -0.00666 139 4YY 0.00251 -0.02828 0.00833 0.02648 -0.03810 140 4ZZ 0.00425 -0.01171 0.01228 -0.02123 0.04464 141 4XY 0.00208 -0.01468 -0.00866 -0.00408 0.02391 142 4XZ 0.02779 0.00252 -0.00737 0.01476 -0.02431 143 4YZ 0.00110 -0.01623 0.00117 0.00476 0.00337 144 14 C 1S 0.07624 0.00677 -0.04853 0.01035 -0.00190 145 2S -0.06356 -0.11356 -0.00607 0.03889 -0.02977 146 2PX -0.08877 0.10272 -0.12972 -0.14272 0.01789 147 2PY -0.12638 -0.06460 0.06703 0.04988 0.03009 148 2PZ 0.16750 -0.08944 0.11055 0.09105 -0.30093 149 3S -2.15789 -0.01095 2.35279 -0.27809 -0.19077 150 3PX -0.72260 -0.04393 -0.78440 0.34807 -0.10224 151 3PY -1.79914 0.04513 1.08183 -0.25009 -0.14251 152 3PZ 0.25954 0.15718 2.28351 -0.26586 0.48218 153 4XX 0.00392 -0.01018 0.01327 -0.00326 0.02659 154 4YY 0.00237 0.00730 0.00984 -0.00007 -0.00478 155 4ZZ -0.01307 -0.00747 -0.02341 0.01634 -0.01568 156 4XY 0.00539 -0.00748 0.00470 -0.01586 0.01496 157 4XZ 0.00925 0.01511 -0.01108 0.01679 0.00322 158 4YZ 0.01644 -0.01782 -0.01281 0.02503 -0.02607 159 15 C 1S -0.09086 -0.00823 0.03934 -0.01126 -0.00341 160 2S 0.02615 -0.05821 -0.01502 -0.16103 -0.30048 161 2PX 0.08713 0.17996 -0.01941 0.17622 -0.01691 162 2PY 0.17880 0.04522 0.21605 -0.25566 0.10621 163 2PZ -0.06271 0.12361 0.19490 -0.07008 0.17616 164 3S 3.40754 0.14694 -1.77274 0.41988 0.32145 165 3PX 0.60491 -0.14811 -0.49528 -0.19996 0.03218 166 3PY 2.40452 -0.16076 1.52074 0.30162 -0.17412 167 3PZ -1.28341 -0.14776 2.38743 0.03346 -0.18713 168 4XX 0.00366 0.00115 -0.00033 0.00930 0.00716 169 4YY -0.01032 0.00334 -0.02147 -0.05329 -0.02520 170 4ZZ 0.00674 -0.02076 0.01182 0.00060 -0.04692 171 4XY -0.00265 0.00773 0.00232 -0.00504 0.00581 172 4XZ -0.00371 0.00285 0.00767 0.00929 0.02640 173 4YZ 0.01067 -0.01670 -0.00624 0.02105 -0.00616 174 16 H 1S 0.04303 -0.00058 -0.03502 -0.10842 -0.10299 175 2S -0.99324 -0.08102 0.48800 -0.02942 -0.04165 176 17 H 1S -0.08706 0.05095 -0.03839 -0.01642 -0.04426 177 2S 0.73448 0.00398 -0.27724 -0.04353 -0.05322 178 18 H 1S -0.06896 -0.07657 -0.05930 -0.02483 0.12950 179 2S -0.25755 -0.03262 0.21478 0.05797 -0.04959 180 19 H 1S 0.06894 -0.07656 0.05931 -0.02478 0.12951 181 2S 0.25754 -0.03260 -0.21478 0.05784 -0.04958 182 20 H 1S 0.08705 0.05097 0.03838 -0.01639 -0.04425 183 2S -0.73445 0.00394 0.27725 -0.04337 -0.05322 184 21 H 1S -0.04303 -0.00058 0.03511 -0.10839 -0.10298 185 2S 0.99326 -0.08096 -0.48798 -0.02973 -0.04166 186 22 H 1S -0.04493 0.11381 0.06257 0.00737 -0.11362 187 2S -0.28599 -0.09333 -0.03035 -0.03075 0.04432 188 23 H 1S 0.04495 0.11382 -0.06260 0.00733 -0.11363 189 2S 0.28597 -0.09330 0.03040 -0.03073 0.04431 71 72 73 74 75 V V V V V Eigenvalues -- 0.53041 0.53410 0.54682 0.57017 0.57365 1 1 C 1S 0.01561 -0.00733 -0.05308 0.00441 -0.01017 2 2S 0.06283 0.23117 0.12348 0.14733 -0.21241 3 2PX 0.21118 -0.38918 -0.16931 0.11899 -0.05119 4 2PY 0.15267 0.00993 0.03922 -0.07919 0.12203 5 2PZ 0.00141 -0.07384 0.09137 0.01531 -0.24514 6 3S 0.01019 -0.29940 1.13736 -0.44959 0.77836 7 3PX -0.16803 0.49274 -0.11977 -0.18261 -0.01593 8 3PY -0.29030 0.00553 0.91174 0.28416 0.03908 9 3PZ -0.11915 0.05447 0.34770 -0.00777 0.69122 10 4XX 0.00591 -0.01553 -0.01095 -0.02033 0.00933 11 4YY 0.01908 0.03914 0.00175 0.01229 -0.02745 12 4ZZ 0.00677 -0.00919 -0.00145 0.03425 -0.00810 13 4XY 0.01449 -0.04167 0.01514 0.02009 0.00519 14 4XZ -0.01460 -0.00765 0.02099 -0.00392 -0.00569 15 4YZ -0.01269 0.03249 -0.01289 0.03675 0.00157 16 2 C 1S 0.01561 -0.00731 0.05309 0.00442 0.01016 17 2S 0.06286 0.23113 -0.12354 0.14740 0.21234 18 2PX 0.21121 -0.38909 0.16945 0.11883 0.05117 19 2PY -0.15267 -0.00993 0.03922 0.07932 0.12204 20 2PZ 0.00141 -0.07389 -0.09137 0.01541 0.24513 21 3S 0.01024 -0.29957 -1.13726 -0.44982 -0.77829 22 3PX -0.16814 0.49264 0.11955 -0.18219 0.01594 23 3PY 0.29025 -0.00539 0.91179 -0.28418 0.03907 24 3PZ -0.11912 0.05447 -0.34760 -0.00798 -0.69118 25 4XX 0.00591 -0.01553 0.01096 -0.02034 -0.00933 26 4YY 0.01908 0.03915 -0.00176 0.01231 0.02743 27 4ZZ 0.00677 -0.00919 0.00146 0.03423 0.00810 28 4XY -0.01449 0.04167 0.01513 -0.02009 0.00519 29 4XZ -0.01460 -0.00765 -0.02099 -0.00391 0.00569 30 4YZ 0.01270 -0.03249 -0.01288 -0.03676 0.00158 31 3 C 1S 0.01483 -0.02372 0.00000 -0.00488 0.00000 32 2S -0.12846 0.14506 -0.00003 0.04265 0.00001 33 2PX -0.25265 0.23369 -0.00003 -0.00943 0.00003 34 2PY 0.00004 -0.00008 -0.84182 -0.00003 -0.01992 35 2PZ 0.11975 -0.27309 -0.00001 -0.17868 -0.00002 36 3S 0.19962 -0.25610 0.00004 -0.05981 -0.00002 37 3PX 0.42893 -0.21368 0.00000 -0.01954 -0.00010 38 3PY -0.00008 0.00014 1.45705 0.00003 0.06923 39 3PZ -0.20611 0.57005 0.00002 0.50303 0.00006 40 4XX -0.00480 0.01347 0.00000 0.00465 0.00000 41 4YY 0.03160 -0.02817 0.00001 -0.01605 0.00000 42 4ZZ 0.00027 -0.02572 0.00000 -0.00240 0.00000 43 4XY 0.00000 0.00001 0.07800 0.00000 -0.00726 44 4XZ -0.00655 0.03320 0.00000 0.01471 0.00000 45 4YZ 0.00000 -0.00001 -0.03733 0.00000 0.01227 46 4 O 1S -0.00684 0.00077 0.01247 -0.00457 0.00378 47 2S 0.08052 -0.16957 -0.09219 -0.00832 -0.00553 48 2PX -0.01578 -0.07262 0.00405 -0.00793 0.01593 49 2PY 0.16035 -0.18223 -0.28458 -0.08655 0.04978 50 2PZ -0.04333 -0.03378 0.05231 -0.04936 -0.06440 51 3S -0.26671 0.62469 0.39549 0.15548 -0.27051 52 3PX 0.03663 0.03184 -0.30857 0.04028 -0.14024 53 3PY -0.07407 0.20176 0.03555 0.04246 -0.05907 54 3PZ 0.05001 -0.15960 0.11019 -0.07105 0.05623 55 4XX 0.01501 -0.04568 0.02723 0.00298 -0.02928 56 4YY -0.01478 -0.00489 0.00372 0.00238 0.00242 57 4ZZ 0.01620 -0.05295 -0.02123 -0.01113 0.00324 58 4XY 0.00091 0.00520 -0.06192 0.00505 -0.01651 59 4XZ 0.02744 -0.04381 -0.04619 -0.00006 0.02622 60 4YZ 0.00168 -0.00882 0.01959 0.00625 -0.00078 61 5 H 1S -0.02064 0.11907 -0.06603 0.15075 -0.02225 62 2S -0.14221 -0.07756 0.44075 0.11708 0.13770 63 6 H 1S -0.02064 0.11911 0.06601 0.15078 0.02224 64 2S -0.14218 -0.07764 -0.44075 0.11703 -0.13764 65 7 H 1S 0.00999 0.13730 -0.00002 0.04846 -0.00001 66 2S 0.06569 0.09268 -0.00001 0.11415 -0.00001 67 8 O 1S -0.00684 0.00076 -0.01247 -0.00457 -0.00378 68 2S 0.08051 -0.16954 0.09224 -0.00831 0.00550 69 2PX -0.01577 -0.07262 -0.00403 -0.00797 -0.01593 70 2PY -0.16032 0.18216 -0.28464 0.08658 0.04979 71 2PZ -0.04334 -0.03379 -0.05235 -0.04931 0.06439 72 3S -0.26667 0.62454 -0.39567 0.15564 0.27061 73 3PX 0.03659 0.03191 0.30855 0.04032 0.14024 74 3PY 0.07406 -0.20172 0.03561 -0.04248 -0.05908 75 3PZ 0.05004 -0.15963 -0.11014 -0.07111 -0.05624 76 4XX 0.01502 -0.04568 -0.02722 0.00300 0.02927 77 4YY -0.01477 -0.00489 -0.00372 0.00238 -0.00242 78 4ZZ 0.01620 -0.05295 0.02124 -0.01112 -0.00325 79 4XY -0.00091 -0.00521 -0.06192 -0.00506 -0.01651 80 4XZ 0.02744 -0.04379 0.04620 -0.00008 -0.02622 81 4YZ -0.00169 0.00882 0.01959 -0.00624 -0.00078 82 9 H 1S 0.04578 -0.16920 0.00002 -0.05863 -0.00002 83 2S 0.04783 -0.08224 0.00000 -0.22660 -0.00003 84 10 C 1S -0.00563 0.00196 0.00158 -0.01614 0.03646 85 2S 0.24034 0.12068 -0.02492 0.08101 0.12737 86 2PX 0.24216 0.12729 0.08493 0.17292 0.16650 87 2PY -0.09136 -0.12660 -0.01590 0.25035 0.29916 88 2PZ -0.05661 0.02612 0.08684 -0.04481 -0.04118 89 3S -0.30116 -0.10704 -0.15461 -0.03405 -0.75101 90 3PX -0.16670 -0.13518 -0.20821 -0.08703 -0.26208 91 3PY 0.12902 0.17938 -0.16472 -0.26646 -0.29127 92 3PZ 0.14562 -0.02261 0.23865 -0.02254 0.61158 93 4XX -0.00139 -0.00623 -0.00005 0.00764 -0.02763 94 4YY 0.04609 0.03437 -0.00233 -0.01846 0.06990 95 4ZZ -0.01635 0.00035 -0.00636 0.00427 0.01065 96 4XY -0.00379 -0.00184 0.00231 -0.02933 0.00353 97 4XZ 0.00864 0.01231 -0.00539 -0.01518 -0.02861 98 4YZ -0.03569 -0.00755 0.00002 0.03007 -0.00751 99 11 C 1S 0.00179 0.00641 -0.01239 0.03623 0.00189 100 2S 0.08200 0.08054 0.01306 -0.00535 0.09627 101 2PX 0.14747 -0.04189 0.06969 0.05095 0.06592 102 2PY -0.00072 -0.05708 -0.00179 0.18360 0.07620 103 2PZ 0.09232 -0.06524 0.01902 0.08061 0.33013 104 3S 0.22457 -0.11346 0.40052 0.12240 0.98705 105 3PX -0.20525 0.20526 -0.15658 -0.10522 -0.16704 106 3PY -0.25380 0.02750 -0.21113 -0.21980 -0.74818 107 3PZ -0.09981 0.20473 0.23171 -0.34063 -0.27278 108 4XX 0.01059 0.00345 0.00586 -0.03067 -0.03511 109 4YY -0.03744 0.00001 -0.00461 0.05795 0.03435 110 4ZZ 0.04552 0.02369 -0.00109 0.01564 0.03991 111 4XY -0.02719 -0.00452 -0.01740 -0.03782 -0.04098 112 4XZ -0.03809 -0.01304 -0.00015 -0.04589 -0.04320 113 4YZ 0.00362 0.02368 0.00347 -0.01377 0.00829 114 12 C 1S -0.00371 -0.00176 0.00776 -0.00967 -0.00364 115 2S 0.16898 0.03786 -0.02049 0.09819 0.18359 116 2PX -0.24022 0.03364 -0.04984 -0.27605 -0.23633 117 2PY -0.06821 0.12022 0.04397 0.26242 -0.02341 118 2PZ 0.31578 0.21633 0.03900 0.08071 0.24408 119 3S -0.22586 -0.07167 -0.06306 -0.35902 -0.84406 120 3PX 0.27798 -0.07944 0.11523 0.36330 0.57250 121 3PY 0.09043 -0.17313 0.08179 -0.35847 0.36800 122 3PZ -0.34647 -0.29625 -0.08850 -0.02495 -0.63986 123 4XX 0.00581 0.04767 -0.01010 0.00006 0.01471 124 4YY 0.03998 -0.01683 0.00314 -0.02773 -0.00234 125 4ZZ -0.01973 -0.02368 0.00547 0.01839 -0.00924 126 4XY -0.00559 0.01681 0.00019 0.01247 0.00697 127 4XZ -0.02069 0.00014 -0.00986 0.00232 0.00233 128 4YZ 0.01687 0.03142 0.00036 -0.03902 -0.00754 129 13 C 1S -0.00371 -0.00176 -0.00776 -0.00967 0.00365 130 2S 0.16896 0.03786 0.02050 0.09815 -0.18361 131 2PX -0.24026 0.03367 0.04979 -0.27607 0.23640 132 2PY 0.06815 -0.12022 0.04402 -0.26249 -0.02328 133 2PZ 0.31572 0.21629 -0.03902 0.08064 -0.24407 134 3S -0.22581 -0.07172 0.06307 -0.35883 0.84414 135 3PX 0.27802 -0.07952 -0.11518 0.36327 -0.57264 136 3PY -0.09035 0.17308 0.08170 0.35864 0.36775 137 3PZ -0.34638 -0.29625 0.08856 -0.02478 0.63982 138 4XX 0.00582 0.04768 0.01009 0.00006 -0.01471 139 4YY 0.03998 -0.01683 -0.00313 -0.02773 0.00235 140 4ZZ -0.01974 -0.02369 -0.00546 0.01840 0.00924 141 4XY 0.00559 -0.01681 0.00019 -0.01246 0.00697 142 4XZ -0.02068 0.00016 0.00985 0.00230 -0.00234 143 4YZ -0.01687 -0.03142 0.00037 0.03902 -0.00754 144 14 C 1S 0.00179 0.00641 0.01238 0.03623 -0.00189 145 2S 0.08197 0.08052 -0.01308 -0.00538 -0.09630 146 2PX 0.14743 -0.04195 -0.06966 0.05101 -0.06593 147 2PY 0.00072 0.05709 -0.00182 -0.18362 0.07624 148 2PZ 0.09228 -0.06520 -0.01901 0.08056 -0.33019 149 3S 0.22449 -0.11327 -0.40044 0.12227 -0.98703 150 3PX -0.20520 0.20531 0.15648 -0.10533 0.16712 151 3PY 0.25374 -0.02743 -0.21101 0.21973 -0.74818 152 3PZ -0.09975 0.20485 -0.23177 -0.34069 0.27278 153 4XX 0.01060 0.00345 -0.00586 -0.03067 0.03511 154 4YY -0.03745 0.00001 0.00460 0.05794 -0.03436 155 4ZZ 0.04551 0.02368 0.00109 0.01564 -0.03992 156 4XY 0.02720 0.00452 -0.01739 0.03782 -0.04099 157 4XZ -0.03808 -0.01304 0.00014 -0.04588 0.04320 158 4YZ -0.00364 -0.02369 0.00348 0.01378 0.00830 159 15 C 1S -0.00563 0.00197 -0.00158 -0.01615 -0.03646 160 2S 0.24032 0.12068 0.02489 0.08100 -0.12748 161 2PX 0.24214 0.12722 -0.08494 0.17297 -0.16654 162 2PY 0.09141 0.12660 -0.01592 -0.25032 0.29914 163 2PZ -0.05659 0.02613 -0.08686 -0.04484 0.04123 164 3S -0.30109 -0.10727 0.15459 -0.03384 0.75107 165 3PX -0.16668 -0.13515 0.20824 -0.08701 0.26209 166 3PY -0.12913 -0.17933 -0.16462 0.26645 -0.29115 167 3PZ 0.14553 -0.02244 -0.23864 -0.02267 -0.61159 168 4XX -0.00139 -0.00624 0.00006 0.00764 0.02763 169 4YY 0.04607 0.03437 0.00232 -0.01845 -0.06991 170 4ZZ -0.01634 0.00036 0.00635 0.00426 -0.01066 171 4XY 0.00378 0.00184 0.00230 0.02934 0.00353 172 4XZ 0.00864 0.01231 0.00539 -0.01517 0.02862 173 4YZ 0.03570 0.00755 0.00002 -0.03008 -0.00753 174 16 H 1S -0.12789 -0.05388 -0.01344 0.12748 0.16209 175 2S 0.09595 0.02654 -0.10868 -0.04065 -0.09921 176 17 H 1S -0.12418 -0.02848 -0.01482 0.33760 0.17956 177 2S 0.21032 0.09027 0.04631 -0.05248 0.22147 178 18 H 1S -0.14551 -0.15835 0.01567 0.11124 -0.09412 179 2S 0.08331 0.04412 0.01415 0.02266 -0.12918 180 19 H 1S -0.14553 -0.15835 -0.01564 0.11126 0.09410 181 2S 0.08330 0.04408 -0.01413 0.02269 0.12915 182 20 H 1S -0.12421 -0.02848 0.01483 0.33758 -0.17957 183 2S 0.21031 0.09030 -0.04632 -0.05253 -0.22147 184 21 H 1S -0.12791 -0.05385 0.01344 0.12745 -0.16213 185 2S 0.09594 0.02651 0.10868 -0.04059 0.09919 186 22 H 1S -0.01807 0.14796 -0.02516 0.01411 0.05040 187 2S 0.03869 -0.08087 0.01900 -0.02942 -0.08263 188 23 H 1S -0.01804 0.14798 0.02512 0.01410 -0.05041 189 2S 0.03868 -0.08088 -0.01898 -0.02936 0.08262 76 77 78 79 80 V V V V V Eigenvalues -- 0.58250 0.58292 0.60597 0.62645 0.64668 1 1 C 1S 0.01702 0.01939 -0.01706 0.00679 0.02229 2 2S 0.28979 0.06033 -0.03845 0.11541 0.01576 3 2PX -0.15151 -0.41026 -0.01952 0.05577 -0.07499 4 2PY 0.17219 -0.32113 -0.18695 -0.12280 -0.33192 5 2PZ 0.13817 0.13255 0.03312 0.06751 0.14268 6 3S -0.15853 -0.37773 -0.12918 -0.36425 0.14460 7 3PX 0.43886 1.05257 0.00347 0.00397 0.24987 8 3PY -0.46854 0.06320 0.39706 0.31331 0.76195 9 3PZ -0.24956 -0.11268 0.04093 0.04650 -0.13331 10 4XX 0.01781 -0.03011 -0.01017 -0.01020 -0.04524 11 4YY 0.04838 0.05354 -0.02622 -0.00999 0.06453 12 4ZZ -0.02165 -0.02945 -0.00096 0.03994 -0.00357 13 4XY -0.03361 0.00069 -0.00221 -0.00515 0.00137 14 4XZ -0.02816 0.00437 0.00235 -0.01021 -0.00388 15 4YZ 0.02361 0.01283 -0.00916 0.05939 0.00984 16 2 C 1S 0.01714 -0.01929 -0.01706 0.00680 -0.02229 17 2S 0.29016 -0.05857 -0.03845 0.11547 -0.01572 18 2PX -0.15394 0.40945 -0.01953 0.05567 0.07497 19 2PY -0.17026 -0.32211 0.18696 0.12292 -0.33182 20 2PZ 0.13898 -0.13176 0.03316 0.06757 -0.14267 21 3S -0.16095 0.37670 -0.12917 -0.36436 -0.14481 22 3PX 0.44517 -1.05005 0.00352 0.00423 -0.24982 23 3PY 0.46826 0.06590 -0.39708 -0.31349 0.76172 24 3PZ -0.25030 0.11125 0.04086 0.04636 0.13334 25 4XX 0.01762 0.03021 -0.01017 -0.01021 0.04523 26 4YY 0.04871 -0.05325 -0.02621 -0.00995 -0.06454 27 4ZZ -0.02183 0.02933 -0.00096 0.03993 0.00359 28 4XY 0.03361 0.00088 0.00221 0.00515 0.00138 29 4XZ -0.02813 -0.00454 0.00235 -0.01021 0.00388 30 4YZ -0.02369 0.01266 0.00916 -0.05940 0.00982 31 3 C 1S 0.01338 0.00004 -0.00393 0.00911 0.00000 32 2S -0.13389 -0.00039 0.01477 -0.00607 0.00000 33 2PX -0.31958 -0.00097 0.04696 -0.11429 -0.00001 34 2PY -0.00089 0.28185 0.00000 0.00000 0.00404 35 2PZ 0.28018 0.00083 -0.03450 0.08452 0.00000 36 3S 0.20411 0.00058 0.07410 -0.04476 -0.00001 37 3PX 1.22983 0.00368 -0.08590 0.44171 0.00007 38 3PY 0.00150 -0.46358 -0.00001 0.00002 -0.04093 39 3PZ -0.95398 -0.00280 0.09769 -0.31162 -0.00001 40 4XX -0.02724 -0.00008 -0.00286 -0.01225 0.00000 41 4YY 0.03110 0.00009 0.00298 -0.02450 0.00000 42 4ZZ 0.03339 0.00010 -0.00042 0.05074 0.00001 43 4XY 0.00001 -0.00163 0.00000 0.00000 0.00913 44 4XZ 0.03159 0.00010 -0.00663 0.01389 0.00001 45 4YZ 0.00006 -0.02011 0.00000 0.00000 0.00020 46 4 O 1S -0.00070 -0.00089 0.00393 -0.00281 -0.00559 47 2S 0.14439 0.07567 -0.02417 0.12862 0.01192 48 2PX -0.02926 -0.06688 -0.01762 0.02364 -0.08602 49 2PY 0.05416 -0.03351 -0.03973 -0.12465 -0.05807 50 2PZ 0.11911 0.08402 0.00201 0.03881 -0.05791 51 3S -0.41870 0.12041 0.05889 -0.22980 0.23269 52 3PX 0.02799 0.06904 0.02945 -0.00903 0.13485 53 3PY -0.09420 0.04880 -0.06802 -0.04128 0.00768 54 3PZ -0.04551 -0.16722 -0.01203 -0.04072 -0.02849 55 4XX 0.04424 0.04147 0.00667 0.04045 0.03516 56 4YY 0.01079 0.01304 -0.00891 0.03628 -0.01872 57 4ZZ 0.05709 0.04105 -0.00433 0.04199 -0.00241 58 4XY 0.02346 0.03599 0.00069 0.02321 0.00374 59 4XZ -0.02201 -0.05870 -0.01144 -0.00160 -0.02439 60 4YZ -0.01662 -0.02161 -0.00409 -0.00720 -0.00298 61 5 H 1S 0.07962 0.11306 -0.04669 0.30005 0.19579 62 2S -0.34544 -0.08538 0.19255 0.04776 0.13957 63 6 H 1S 0.08031 -0.11253 -0.04668 0.30010 -0.19570 64 2S -0.34601 0.08337 0.19255 0.04775 -0.13952 65 7 H 1S 0.20348 0.00061 -0.03743 0.10418 0.00003 66 2S 0.10950 0.00035 0.00857 0.05196 0.00001 67 8 O 1S -0.00071 0.00088 0.00393 -0.00281 0.00559 68 2S 0.14485 -0.07478 -0.02416 0.12860 -0.01190 69 2PX -0.02965 0.06672 -0.01762 0.02359 0.08600 70 2PY -0.05398 -0.03381 0.03973 0.12468 -0.05800 71 2PZ 0.11961 -0.08332 0.00202 0.03881 0.05790 72 3S -0.41796 -0.12296 0.05891 -0.22961 -0.23266 73 3PX 0.02843 -0.06889 0.02945 -0.00897 -0.13481 74 3PY 0.09390 0.04934 0.06802 0.04127 0.00768 75 3PZ -0.04652 0.16694 -0.01203 -0.04074 0.02846 76 4XX 0.04449 -0.04120 0.00667 0.04046 -0.03514 77 4YY 0.01086 -0.01296 -0.00891 0.03627 0.01873 78 4ZZ 0.05734 -0.04070 -0.00433 0.04198 0.00242 79 4XY -0.02368 0.03584 -0.00069 -0.02321 0.00373 80 4XZ -0.02236 0.05857 -0.01145 -0.00162 0.02438 81 4YZ 0.01675 -0.02151 0.00409 0.00721 -0.00298 82 9 H 1S 0.23750 0.00071 -0.02163 0.21999 0.00002 83 2S 0.56465 0.00165 -0.08103 0.10705 0.00000 84 10 C 1S 0.00588 -0.03421 -0.03173 0.01266 0.05547 85 2S 0.12940 0.03455 -0.25533 0.05686 -0.18079 86 2PX -0.27934 0.22282 -0.28204 -0.07761 -0.04375 87 2PY -0.05186 0.00473 0.17026 -0.15612 0.20105 88 2PZ -0.11121 0.03145 -0.37527 0.06259 0.11239 89 3S 0.08273 0.46138 0.36787 -0.53634 0.25862 90 3PX 0.24726 -0.02128 0.26722 -0.01739 -0.05767 91 3PY 0.07537 0.24485 -0.10796 0.23206 -0.45529 92 3PZ -0.01048 -0.70395 0.43463 0.23770 0.19061 93 4XX -0.00732 0.01968 0.00896 -0.02718 -0.03745 94 4YY 0.02017 -0.00664 -0.04867 0.03028 0.04948 95 4ZZ 0.01928 -0.03018 -0.06212 0.00617 0.02546 96 4XY 0.00810 0.00556 0.03206 -0.00824 0.00424 97 4XZ -0.02572 -0.00233 0.07268 0.02849 -0.02729 98 4YZ -0.00021 0.00217 0.00732 0.02142 -0.01832 99 11 C 1S 0.00889 0.00934 0.02908 -0.02169 -0.02630 100 2S 0.08560 -0.05721 -0.18627 -0.03479 0.02400 101 2PX -0.02913 0.31439 0.00975 -0.32411 -0.16988 102 2PY -0.08496 0.13206 0.06476 0.14507 -0.05268 103 2PZ 0.07144 -0.07087 -0.13893 -0.12577 0.36225 104 3S -0.15545 -0.30104 0.35855 0.46937 -0.01189 105 3PX 0.07571 -0.28552 -0.07163 0.30989 0.15381 106 3PY 0.26305 0.03738 -0.04291 -0.97350 0.04407 107 3PZ -0.23980 -0.54047 -0.00881 0.40649 -0.12384 108 4XX -0.00089 0.00088 0.00583 -0.01251 0.01638 109 4YY 0.00432 -0.01008 -0.03165 0.02122 -0.03421 110 4ZZ 0.01254 0.00562 0.03949 -0.02513 -0.01696 111 4XY -0.02276 -0.02072 0.02105 0.01567 0.01089 112 4XZ -0.01225 -0.00585 -0.05174 -0.02294 0.04421 113 4YZ 0.00255 -0.00999 -0.01166 0.02275 0.01010 114 12 C 1S -0.00590 0.00316 -0.01173 0.00305 -0.02000 115 2S 0.00932 -0.03725 0.07002 0.06126 0.05896 116 2PX -0.01144 -0.09694 -0.13853 -0.11844 0.17769 117 2PY 0.27879 0.02823 0.09682 -0.27443 -0.27641 118 2PZ -0.03315 0.05745 0.14590 0.15843 -0.13698 119 3S -0.24867 0.11798 -0.03661 0.09665 -0.38008 120 3PX 0.02037 0.28212 0.27183 0.31585 -0.48861 121 3PY -0.49826 -0.34523 -0.07031 0.64308 0.55966 122 3PZ 0.09956 -0.11596 -0.24099 -0.47754 0.39472 123 4XX 0.01873 -0.01550 0.00730 -0.02496 -0.00749 124 4YY -0.05392 0.00779 0.01428 0.06545 -0.03100 125 4ZZ 0.01852 0.00045 -0.01550 -0.01611 0.01498 126 4XY -0.01110 -0.00929 -0.01495 0.03493 0.00994 127 4XZ 0.01946 -0.01841 -0.00465 -0.02933 0.03332 128 4YZ 0.00123 0.00668 0.01441 -0.03396 -0.00650 129 13 C 1S -0.00588 -0.00320 -0.01173 0.00303 0.01999 130 2S 0.00904 0.03733 0.07003 0.06137 -0.05894 131 2PX -0.01193 0.09678 -0.13853 -0.11853 -0.17774 132 2PY -0.27900 0.02651 -0.09683 0.27459 -0.27640 133 2PZ -0.03287 -0.05763 0.14590 0.15843 0.13701 134 3S -0.24770 -0.11956 -0.03669 0.09622 0.38010 135 3PX 0.02183 -0.28185 0.27186 0.31613 0.48875 136 3PY 0.50040 -0.34221 0.07026 -0.64325 0.55961 137 3PZ 0.09904 0.11652 -0.24101 -0.47754 -0.39481 138 4XX 0.01863 0.01560 0.00731 -0.02495 0.00749 139 4YY -0.05386 -0.00812 0.01428 0.06542 0.03102 140 4ZZ 0.01853 -0.00032 -0.01550 -0.01609 -0.01499 141 4XY 0.01116 -0.00924 0.01495 -0.03494 0.00994 142 4XZ 0.01935 0.01852 -0.00464 -0.02932 -0.03332 143 4YZ -0.00128 0.00669 -0.01440 0.03397 -0.00648 144 14 C 1S 0.00894 -0.00928 0.02908 -0.02169 0.02630 145 2S 0.08524 0.05769 -0.18623 -0.03484 -0.02402 146 2PX -0.02723 -0.31458 0.00977 -0.32421 0.16976 147 2PY 0.08419 0.13245 -0.06474 -0.14513 -0.05264 148 2PZ 0.07100 0.07132 -0.13889 -0.12571 -0.36228 149 3S -0.15733 0.30016 0.35861 0.46935 0.01206 150 3PX 0.07397 0.28594 -0.07167 0.30999 -0.15370 151 3PY -0.26336 0.03582 0.04301 0.97352 0.04431 152 3PZ -0.24289 0.53898 -0.00880 0.40630 0.12392 153 4XX -0.00088 -0.00089 0.00583 -0.01251 -0.01638 154 4YY 0.00425 0.01013 -0.03165 0.02122 0.03421 155 4ZZ 0.01256 -0.00555 0.03950 -0.02514 0.01696 156 4XY 0.02288 -0.02057 -0.02104 -0.01567 0.01089 157 4XZ -0.01227 0.00576 -0.05175 -0.02294 -0.04422 158 4YZ -0.00249 -0.01000 0.01164 -0.02274 0.01009 159 15 C 1S 0.00568 0.03424 -0.03173 0.01267 -0.05547 160 2S 0.12958 -0.03379 -0.25533 0.05684 0.18081 161 2PX -0.27804 -0.22453 -0.28199 -0.07765 0.04375 162 2PY 0.05190 0.00496 -0.17026 0.15603 0.20112 163 2PZ -0.11098 -0.03214 -0.37527 0.06258 -0.11234 164 3S 0.08557 -0.46089 0.36779 -0.53617 -0.25873 165 3PX 0.24716 0.02281 0.26716 -0.01727 0.05766 166 3PY -0.07676 0.24437 0.10797 -0.23217 -0.45535 167 3PZ -0.01472 0.70393 0.43472 0.23754 -0.19062 168 4XX -0.00720 -0.01972 0.00896 -0.02719 0.03744 169 4YY 0.02011 0.00675 -0.04866 0.03030 -0.04946 170 4ZZ 0.01910 0.03030 -0.06212 0.00617 -0.02547 171 4XY -0.00813 0.00552 -0.03207 0.00823 0.00424 172 4XZ -0.02573 0.00218 0.07267 0.02849 0.02731 173 4YZ 0.00020 0.00215 -0.00732 -0.02141 -0.01833 174 16 H 1S 0.05424 -0.07868 -0.31627 0.09189 0.17410 175 2S 0.01597 0.21885 -0.00293 -0.11509 -0.10992 176 17 H 1S 0.04963 0.01799 -0.06016 0.04097 -0.15378 177 2S -0.08899 -0.05295 0.08309 0.42045 0.05209 178 18 H 1S 0.05012 -0.00896 -0.15018 -0.03702 0.02391 179 2S 0.05588 0.08852 -0.01945 -0.23079 -0.03214 180 19 H 1S 0.05009 0.00930 -0.15020 -0.03702 -0.02391 181 2S 0.05643 -0.08816 -0.01946 -0.23084 0.03203 182 20 H 1S 0.04969 -0.01757 -0.06015 0.04095 0.15378 183 2S -0.08933 0.05237 0.08313 0.42045 -0.05196 184 21 H 1S 0.05374 0.07907 -0.31624 0.09192 -0.17411 185 2S 0.01727 -0.21878 -0.00295 -0.11504 0.10990 186 22 H 1S 0.04370 -0.01049 -0.09632 -0.10363 -0.02479 187 2S -0.00655 0.09279 -0.08771 -0.14013 0.04389 188 23 H 1S 0.04362 0.01074 -0.09631 -0.10367 0.02471 189 2S -0.00597 -0.09284 -0.08773 -0.14019 -0.04394 81 82 83 84 85 V V V V V Eigenvalues -- 0.65172 0.68028 0.69177 0.72548 0.73815 1 1 C 1S 0.00302 -0.01236 0.01251 -0.01722 -0.00357 2 2S 0.14492 0.01087 -0.24299 -0.17813 -0.30947 3 2PX -0.25111 0.24593 0.00245 0.08642 0.33628 4 2PY 0.09182 0.03576 0.19381 0.05981 -0.35315 5 2PZ 0.00417 0.02756 -0.30357 0.10747 0.10841 6 3S -0.82833 0.15688 0.58348 0.73268 1.81407 7 3PX 0.69249 -0.66925 -0.20406 -0.10487 -0.96940 8 3PY -0.46477 -0.11370 -0.42033 -0.34501 1.05973 9 3PZ -0.46844 0.05546 0.52448 0.00364 0.36076 10 4XX 0.01582 0.02126 0.02834 0.00626 -0.02783 11 4YY -0.01910 -0.00450 -0.00310 -0.01199 0.05515 12 4ZZ 0.00200 -0.00772 -0.03120 -0.02418 -0.01515 13 4XY -0.00552 0.00004 0.01238 0.04183 0.01508 14 4XZ 0.01721 -0.01094 -0.01008 -0.00441 -0.00247 15 4YZ -0.00195 -0.00793 0.01282 -0.01985 -0.00174 16 2 C 1S -0.00302 0.01236 0.01251 -0.01722 0.00355 17 2S -0.14490 -0.01089 -0.24291 -0.17828 0.30955 18 2PX 0.25116 -0.24590 0.00239 0.08657 -0.33621 19 2PY 0.09189 0.03578 -0.19389 -0.05964 -0.35319 20 2PZ -0.00412 -0.02758 -0.30364 0.10754 -0.10825 21 3S 0.82823 -0.15690 0.58323 0.73360 -1.81383 22 3PX -0.69250 0.66919 -0.20391 -0.10528 0.96928 23 3PY -0.46499 -0.11375 0.42048 0.34439 1.06007 24 3PZ 0.46840 -0.05544 0.52454 0.00382 -0.36090 25 4XX -0.01583 -0.02125 0.02835 0.00624 0.02783 26 4YY 0.01910 0.00450 -0.00312 -0.01197 -0.05513 27 4ZZ -0.00198 0.00772 -0.03120 -0.02418 0.01513 28 4XY -0.00552 0.00003 -0.01237 -0.04184 0.01501 29 4XZ -0.01721 0.01094 -0.01008 -0.00442 0.00249 30 4YZ -0.00196 -0.00793 -0.01282 0.01985 -0.00169 31 3 C 1S 0.00000 0.00000 0.00618 -0.02053 0.00000 32 2S 0.00000 -0.00001 -0.09207 -0.00949 0.00004 33 2PX -0.00001 0.00000 0.01959 -0.03796 -0.00006 34 2PY -0.01458 0.05933 -0.00001 0.00001 -0.04080 35 2PZ 0.00000 0.00000 0.15455 -0.04678 -0.00013 36 3S -0.00001 0.00001 0.06225 0.10411 -0.00001 37 3PX 0.00002 -0.00003 -0.30961 -0.03023 0.00031 38 3PY 0.01169 -0.09555 0.00003 -0.00005 0.17811 39 3PZ 0.00000 0.00000 -0.41070 0.24265 0.00043 40 4XX 0.00000 0.00000 0.00406 0.01178 0.00002 41 4YY 0.00000 0.00000 -0.02020 0.00829 0.00003 42 4ZZ 0.00001 0.00000 0.01100 -0.04668 -0.00004 43 4XY 0.00650 -0.01354 0.00000 0.00000 -0.00509 44 4XZ 0.00000 0.00000 -0.05213 0.01092 0.00005 45 4YZ -0.00623 -0.00342 0.00000 0.00000 0.00593 46 4 O 1S -0.00306 0.00532 0.00255 0.01048 0.00591 47 2S -0.08954 0.08654 0.03187 -0.03917 0.05296 48 2PX -0.07771 0.11959 0.13651 0.13294 0.06778 49 2PY -0.03031 0.05695 0.09920 0.07875 0.01610 50 2PZ -0.01282 0.13670 0.09674 0.01339 0.01189 51 3S 0.51426 -0.46025 -0.39359 -0.21359 -0.50775 52 3PX 0.13527 -0.12466 -0.21863 -0.22015 -0.19601 53 3PY 0.08223 -0.06047 -0.05740 -0.05991 -0.10752 54 3PZ -0.06456 -0.00465 0.05049 0.05639 0.12981 55 4XX -0.01614 0.00966 -0.03324 -0.01996 0.01823 56 4YY -0.02507 0.03829 0.02545 -0.01239 -0.00105 57 4ZZ -0.01864 0.02237 0.01077 0.00367 0.02304 58 4XY 0.00929 -0.00120 -0.00983 -0.00298 -0.02225 59 4XZ -0.01858 0.00570 0.04168 -0.00043 0.02490 60 4YZ -0.02211 0.01684 0.00350 0.02437 0.04002 61 5 H 1S -0.03764 -0.14253 0.09267 -0.15542 0.00465 62 2S -0.30778 0.04335 -0.05769 -0.10479 0.30461 63 6 H 1S 0.03771 0.14253 0.09264 -0.15538 -0.00499 64 2S 0.30783 -0.04332 -0.05774 -0.10463 -0.30449 65 7 H 1S 0.00000 -0.00001 -0.20244 -0.11885 0.00016 66 2S 0.00001 -0.00001 -0.17284 0.04193 0.00013 67 8 O 1S 0.00306 -0.00532 0.00255 0.01048 -0.00590 68 2S 0.08956 -0.08653 0.03187 -0.03914 -0.05297 69 2PX 0.07772 -0.11958 0.13651 0.13297 -0.06777 70 2PY -0.03027 0.05697 -0.09920 -0.07875 0.01595 71 2PZ 0.01282 -0.13669 0.09675 0.01337 -0.01198 72 3S -0.51428 0.46024 -0.39357 -0.21381 0.50752 73 3PX -0.13527 0.12466 -0.21864 -0.22023 0.19589 74 3PY 0.08223 -0.06046 0.05738 0.05995 -0.10734 75 3PZ 0.06456 0.00465 0.05047 0.05646 -0.12982 76 4XX 0.01615 -0.00966 -0.03325 -0.01995 -0.01822 77 4YY 0.02508 -0.03829 0.02546 -0.01238 0.00101 78 4ZZ 0.01864 -0.02237 0.01077 0.00368 -0.02300 79 4XY 0.00929 -0.00120 0.00982 0.00299 -0.02224 80 4XZ 0.01858 -0.00570 0.04168 -0.00042 -0.02494 81 4YZ -0.02211 0.01684 -0.00349 -0.02439 0.03998 82 9 H 1S 0.00002 0.00000 0.13347 -0.27278 -0.00023 83 2S -0.00002 -0.00002 0.03655 0.00120 0.00003 84 10 C 1S -0.02704 -0.01105 0.00308 0.00262 -0.01280 85 2S 0.03188 -0.07471 -0.11111 0.06392 0.01150 86 2PX -0.20959 0.42524 -0.03937 0.10132 -0.28313 87 2PY -0.11666 -0.02756 0.03269 -0.01835 -0.22136 88 2PZ -0.17567 0.32684 -0.09960 0.03116 -0.05321 89 3S -0.27775 0.33996 -0.06823 0.21080 -0.31262 90 3PX 0.34095 -0.67912 -0.04605 -0.30931 0.49909 91 3PY 0.37528 -0.37659 0.06218 0.11397 0.00563 92 3PZ 0.24951 -0.65714 0.30910 -0.15597 0.61349 93 4XX 0.00578 0.00644 0.00539 -0.00330 0.00987 94 4YY -0.02390 0.00064 -0.01211 0.01486 -0.02901 95 4ZZ -0.01604 -0.01299 -0.00240 0.00506 -0.00717 96 4XY -0.00471 0.00628 0.00836 -0.00299 0.00715 97 4XZ 0.04811 -0.00091 0.02597 -0.00398 0.00669 98 4YZ -0.00862 -0.00424 0.05507 -0.02040 -0.01717 99 11 C 1S 0.01396 -0.00842 0.01429 0.00264 0.00058 100 2S -0.21849 0.01750 -0.19790 -0.20498 0.02596 101 2PX -0.26839 -0.02126 0.00018 -0.60152 0.31934 102 2PY 0.18283 0.00749 0.29999 -0.00473 0.13168 103 2PZ -0.06289 -0.03473 0.04332 0.05525 0.20357 104 3S 0.74021 -0.24374 0.42990 0.65658 0.46677 105 3PX 0.39144 0.13872 0.38480 1.28427 -0.57590 106 3PY -0.61123 0.01710 -0.67403 0.02764 -0.44661 107 3PZ -0.24662 0.38561 0.09338 -0.44623 0.10112 108 4XX -0.00162 0.01036 -0.01113 0.01101 0.01415 109 4YY 0.01557 -0.00525 0.03445 -0.03788 -0.00751 110 4ZZ -0.01443 -0.00481 -0.01711 0.00588 0.01531 111 4XY 0.00392 -0.02113 0.01553 0.00186 -0.02190 112 4XZ -0.03869 0.02207 0.00297 -0.00526 -0.01398 113 4YZ 0.01261 0.02804 0.00586 0.01374 0.01524 114 12 C 1S -0.03344 -0.01268 0.00232 -0.02057 -0.00226 115 2S 0.36321 0.14245 -0.06152 0.07658 0.02997 116 2PX -0.18178 -0.05324 0.11958 -0.02751 -0.17423 117 2PY -0.43164 -0.38023 0.03940 0.27252 -0.05972 118 2PZ 0.18923 0.00878 0.21922 0.14518 0.11638 119 3S -1.35465 -0.49361 -0.19856 -0.88294 -0.04558 120 3PX 0.73023 0.17904 -0.18235 0.18443 0.57236 121 3PY 1.10622 1.17797 -0.02562 -0.60391 0.56087 122 3PZ -0.70726 -0.22578 -0.55611 -0.47787 -0.48956 123 4XX 0.00853 0.02160 0.02302 -0.02160 0.01864 124 4YY -0.03529 -0.03474 -0.01660 -0.01566 -0.00760 125 4ZZ 0.01897 0.01539 -0.02914 0.00281 -0.01239 126 4XY 0.00598 0.00588 0.08187 0.00065 0.00119 127 4XZ 0.00446 -0.02043 0.01862 0.04491 -0.02132 128 4YZ -0.00854 0.00059 0.01216 -0.02206 0.00452 129 13 C 1S 0.03344 0.01269 0.00233 -0.02058 0.00225 130 2S -0.36320 -0.14244 -0.06155 0.07660 -0.02995 131 2PX 0.18180 0.05329 0.11956 -0.02755 0.17415 132 2PY -0.43154 -0.38019 -0.03946 -0.27249 -0.05971 133 2PZ -0.18925 -0.00883 0.21915 0.14519 -0.11633 134 3S 1.35472 0.49366 -0.19860 -0.88303 0.04527 135 3PX -0.73033 -0.17920 -0.18216 0.18460 -0.57214 136 3PY 1.10589 1.17786 0.02588 0.60364 0.56077 137 3PZ 0.70723 0.22592 -0.55606 -0.47795 0.48926 138 4XX -0.00855 -0.02160 0.02303 -0.02160 -0.01865 139 4YY 0.03532 0.03474 -0.01661 -0.01567 0.00760 140 4ZZ -0.01897 -0.01539 -0.02914 0.00282 0.01239 141 4XY 0.00597 0.00586 -0.08187 -0.00066 0.00116 142 4XZ -0.00447 0.02043 0.01862 0.04490 0.02133 143 4YZ -0.00854 0.00059 -0.01216 0.02206 0.00455 144 14 C 1S -0.01397 0.00842 0.01428 0.00264 -0.00060 145 2S 0.21849 -0.01748 -0.19789 -0.20497 -0.02603 146 2PX 0.26828 0.02134 0.00019 -0.60132 -0.31966 147 2PY 0.18283 0.00748 -0.29999 0.00461 0.13158 148 2PZ 0.06288 0.03475 0.04318 0.05537 -0.20355 149 3S -0.74009 0.24374 0.42988 0.65682 -0.46623 150 3PX -0.39133 -0.13885 0.38487 1.28392 0.57647 151 3PY -0.61110 0.01721 0.67410 -0.02722 -0.44594 152 3PZ 0.24667 -0.38558 0.09337 -0.44613 -0.10128 153 4XX 0.00162 -0.01036 -0.01114 0.01102 -0.01416 154 4YY -0.01557 0.00523 0.03446 -0.03788 0.00750 155 4ZZ 0.01442 0.00482 -0.01711 0.00588 -0.01530 156 4XY 0.00391 -0.02113 -0.01553 -0.00185 -0.02190 157 4XZ 0.03868 -0.02207 0.00297 -0.00526 0.01397 158 4YZ 0.01260 0.02804 -0.00585 -0.01375 0.01523 159 15 C 1S 0.02705 0.01105 0.00308 0.00261 0.01281 160 2S -0.03186 0.07471 -0.11108 0.06393 -0.01144 161 2PX 0.20963 -0.42528 -0.03926 0.10109 0.28302 162 2PY -0.11665 -0.02750 -0.03274 0.01848 -0.22125 163 2PZ 0.17570 -0.32687 -0.09959 0.03108 0.05316 164 3S 0.27755 -0.34000 -0.06833 0.21056 0.31249 165 3PX -0.34104 0.67919 -0.04621 -0.30893 -0.49915 166 3PY 0.37530 -0.37671 -0.06241 -0.11399 0.00547 167 3PZ -0.24942 0.65715 0.30894 -0.15551 -0.61331 168 4XX -0.00578 -0.00644 0.00540 -0.00329 -0.00988 169 4YY 0.02391 -0.00064 -0.01209 0.01484 0.02904 170 4ZZ 0.01604 0.01299 -0.00242 0.00506 0.00716 171 4XY -0.00469 0.00628 -0.00836 0.00299 0.00715 172 4XZ -0.04811 0.00092 0.02597 -0.00398 -0.00670 173 4YZ -0.00862 -0.00424 -0.05507 0.02041 -0.01718 174 16 H 1S -0.12491 -0.04826 0.07858 0.01082 -0.11886 175 2S 0.07851 0.20186 -0.22965 0.01109 -0.02329 176 17 H 1S 0.00793 -0.11808 0.09498 -0.08245 -0.11910 177 2S 0.08416 0.02834 0.18088 0.03272 0.15570 178 18 H 1S -0.08928 -0.09931 -0.11473 -0.01204 -0.17249 179 2S -0.27922 -0.27598 -0.11290 -0.12618 -0.24100 180 19 H 1S 0.08925 0.09929 -0.11468 -0.01214 0.17248 181 2S 0.27918 0.27600 -0.11285 -0.12626 0.24083 182 20 H 1S -0.00792 0.11807 0.09503 -0.08251 0.11907 183 2S -0.08406 -0.02831 0.18091 0.03280 -0.15542 184 21 H 1S 0.12494 0.04825 0.07859 0.01076 0.11893 185 2S -0.07853 -0.20188 -0.22967 0.01104 0.02310 186 22 H 1S -0.16706 -0.09443 0.26510 -0.14317 0.00005 187 2S -0.29322 -0.23795 -0.07189 0.08455 -0.29288 188 23 H 1S 0.16701 0.09447 0.26510 -0.14314 -0.00007 189 2S 0.29319 0.23793 -0.07188 0.08441 0.29273 86 87 88 89 90 V V V V V Eigenvalues -- 0.74710 0.76306 0.80486 0.81303 0.82474 1 1 C 1S -0.00482 -0.00630 0.00771 0.00232 -0.02181 2 2S 0.13218 0.14651 -0.06512 0.03756 0.01821 3 2PX -0.01094 0.16307 0.14950 0.09576 0.02932 4 2PY 0.02971 0.09312 -0.45784 -0.11425 0.01705 5 2PZ 0.02765 0.20283 -0.16799 -0.02381 -0.01186 6 3S -0.12748 0.23504 1.02545 -0.13365 0.06211 7 3PX -0.12390 -0.10739 -0.61651 -0.23529 -0.04021 8 3PY -0.12481 -0.32906 1.70499 0.30806 -0.11640 9 3PZ -0.06531 -0.18933 0.36390 0.14835 -0.05683 10 4XX 0.01210 -0.02360 -0.01204 0.02510 -0.04625 11 4YY 0.02136 0.03120 0.07973 -0.01741 0.01785 12 4ZZ -0.01806 0.00371 -0.02497 0.02678 -0.01480 13 4XY 0.07014 0.03951 0.00313 0.00068 0.00225 14 4XZ 0.02711 -0.02694 0.01692 -0.05695 0.05356 15 4YZ -0.05115 0.01244 -0.01771 0.02225 -0.02975 16 2 C 1S -0.00483 -0.00630 -0.00772 0.00232 -0.02181 17 2S 0.13189 0.14648 0.06512 0.03759 0.01826 18 2PX -0.01066 0.16310 -0.14946 0.09574 0.02932 19 2PY -0.02941 -0.09312 -0.45786 0.11415 -0.01694 20 2PZ 0.02774 0.20279 0.16793 -0.02375 -0.01205 21 3S -0.12591 0.23529 -1.02556 -0.13395 0.06239 22 3PX -0.12468 -0.10753 0.61643 -0.23514 -0.04039 23 3PY 0.12397 0.32897 1.70499 -0.30768 0.11580 24 3PZ -0.06503 -0.18911 -0.36376 0.14815 -0.05614 25 4XX 0.01209 -0.02359 0.01202 0.02510 -0.04625 26 4YY 0.02139 0.03120 -0.07973 -0.01742 0.01787 27 4ZZ -0.01807 0.00371 0.02497 0.02678 -0.01479 28 4XY -0.07015 -0.03952 0.00315 -0.00067 -0.00226 29 4XZ 0.02710 -0.02694 -0.01690 -0.05695 0.05356 30 4YZ 0.05116 -0.01244 -0.01772 -0.02226 0.02976 31 3 C 1S 0.01029 -0.01308 0.00001 -0.03637 0.04841 32 2S 0.06048 0.09787 0.00002 -0.29442 0.17748 33 2PX -0.10442 -0.07455 0.00003 -0.33825 -0.11387 34 2PY 0.00002 0.00001 0.00342 0.00002 0.00003 35 2PZ -0.25447 -0.04916 0.00001 -0.54442 -0.68795 36 3S -0.01777 -0.15519 -0.00007 0.67891 -0.44930 37 3PX 0.65980 0.20908 -0.00006 0.61452 0.35078 38 3PY -0.00011 -0.00002 -0.07796 -0.00007 -0.00006 39 3PZ 0.78195 0.14702 -0.00003 1.32637 1.42344 40 4XX 0.05428 -0.01381 0.00001 -0.05377 -0.04497 41 4YY 0.05375 0.03186 0.00000 -0.02642 0.01357 42 4ZZ -0.06081 -0.01816 0.00001 0.01011 0.11151 43 4XY 0.00000 0.00000 -0.01158 0.00000 0.00000 44 4XZ 0.11369 0.00888 0.00000 -0.06828 -0.07691 45 4YZ 0.00001 0.00000 0.01395 0.00000 -0.00001 46 4 O 1S 0.01074 0.00577 -0.00411 0.00802 -0.00382 47 2S 0.03456 -0.02260 0.03047 -0.18140 0.17793 48 2PX -0.04310 0.07614 -0.01807 0.19283 -0.17580 49 2PY 0.16257 0.08071 0.01315 0.04397 -0.02576 50 2PZ -0.07629 0.00934 -0.00089 -0.07577 0.20055 51 3S -0.25866 -0.07784 -0.13721 0.00563 -0.14742 52 3PX -0.05320 -0.11343 0.10040 -0.26610 0.11904 53 3PY -0.19184 -0.03880 -0.12400 -0.23153 0.13614 54 3PZ -0.04970 0.02480 -0.02619 -0.06401 -0.31845 55 4XX 0.00697 0.00828 0.01902 -0.04716 0.07345 56 4YY -0.02044 -0.01746 -0.02966 -0.06179 0.06073 57 4ZZ 0.04613 -0.01043 0.01716 -0.05523 0.03657 58 4XY -0.01373 -0.00860 -0.03109 0.02246 -0.03532 59 4XZ -0.03088 -0.00712 0.00348 0.03575 0.00758 60 4YZ 0.03916 0.01438 0.01024 -0.03354 -0.02396 61 5 H 1S -0.30465 0.03178 -0.15996 0.11613 -0.23272 62 2S 0.30886 -0.22577 0.76529 0.03727 0.12782 63 6 H 1S -0.30467 0.03175 0.15992 0.11617 -0.23276 64 2S 0.30909 -0.22570 -0.76522 0.03705 0.12836 65 7 H 1S 0.42958 -0.10596 0.00007 -0.53916 -0.10194 66 2S 0.18981 0.23688 -0.00006 1.03446 1.09325 67 8 O 1S 0.01075 0.00577 0.00410 0.00802 -0.00382 68 2S 0.03459 -0.02259 -0.03039 -0.18141 0.17795 69 2PX -0.04304 0.07615 0.01798 0.19283 -0.17581 70 2PY -0.16258 -0.08072 0.01318 -0.04395 0.02573 71 2PZ -0.07629 0.00934 0.00092 -0.07577 0.20051 72 3S -0.25906 -0.07795 0.13719 0.00569 -0.14760 73 3PX -0.05337 -0.11349 -0.10027 -0.26611 0.11901 74 3PY 0.19192 0.03883 -0.12407 0.23149 -0.13604 75 3PZ -0.04958 0.02481 0.02614 -0.06399 -0.31845 76 4XX 0.00698 0.00828 -0.01900 -0.04716 0.07346 77 4YY -0.02044 -0.01746 0.02968 -0.06178 0.06073 78 4ZZ 0.04614 -0.01042 -0.01715 -0.05523 0.03658 79 4XY 0.01375 0.00860 -0.03109 -0.02247 0.03533 80 4XZ -0.03085 -0.00711 -0.00349 0.03574 0.00759 81 4YZ -0.03920 -0.01439 0.01024 0.03354 0.02396 82 9 H 1S -0.32999 -0.14077 0.00006 0.00724 0.76018 83 2S 0.03564 0.06893 0.00000 -1.06683 -1.32137 84 10 C 1S 0.01222 -0.02003 -0.02024 0.01430 0.00356 85 2S -0.02237 0.21874 0.05081 -0.07758 -0.04128 86 2PX -0.22102 0.07112 0.06551 -0.17876 0.09744 87 2PY -0.11372 0.16095 0.17428 -0.23603 -0.00292 88 2PZ -0.05020 -0.20226 0.02547 -0.05904 -0.06325 89 3S -0.27139 -0.95280 0.57504 0.97473 -0.19770 90 3PX 0.16976 -0.23196 -0.28366 0.25699 -0.19316 91 3PY 0.25402 -0.45444 -0.64318 0.65022 -0.08946 92 3PZ 0.39423 0.45489 -0.66261 -0.05488 0.20516 93 4XX -0.02254 0.02451 0.00099 -0.04548 0.00858 94 4YY 0.01614 -0.00380 0.02834 0.01701 -0.00642 95 4ZZ 0.00169 -0.02141 -0.02642 0.02659 -0.00917 96 4XY -0.00061 -0.02102 -0.00259 0.02251 -0.01103 97 4XZ -0.00214 -0.00216 0.01637 -0.00748 -0.01045 98 4YZ 0.05013 0.05558 -0.00007 -0.02724 0.02499 99 11 C 1S -0.01330 0.00256 0.01210 -0.01071 -0.00455 100 2S -0.02115 0.13456 -0.15468 0.27157 -0.12696 101 2PX 0.05405 -0.03448 -0.34002 0.02889 -0.08320 102 2PY 0.28871 -0.10278 0.08671 -0.12303 0.03058 103 2PZ 0.05042 -0.55742 -0.16223 0.18845 -0.06283 104 3S 0.25813 0.13569 0.58158 -0.73575 0.49473 105 3PX -0.13901 -0.12687 1.21172 -0.01494 0.14560 106 3PY -1.04274 -0.00957 -0.02330 0.13523 -0.10993 107 3PZ 0.15795 1.26007 -0.06867 -0.78508 0.23270 108 4XX -0.01098 -0.03176 0.02418 -0.00885 0.00132 109 4YY 0.03195 0.02715 -0.03337 0.01843 -0.01718 110 4ZZ -0.01939 0.03467 0.01518 -0.00201 0.00396 111 4XY -0.00145 0.00035 -0.01275 -0.00435 0.00288 112 4XZ 0.00290 -0.00951 -0.01783 -0.00125 0.00678 113 4YZ 0.00553 -0.04401 0.00464 0.01691 -0.00798 114 12 C 1S 0.00492 0.02119 -0.00062 0.00547 -0.00248 115 2S -0.06883 0.08092 -0.01305 0.05600 0.04214 116 2PX -0.04983 0.18926 0.01349 0.01735 -0.02773 117 2PY -0.14841 -0.13634 0.22720 0.00293 0.03284 118 2PZ 0.05476 -0.02909 0.38733 -0.06985 -0.03290 119 3S 0.26760 0.14585 0.07872 -0.35960 -0.14376 120 3PX 0.21973 -0.65389 0.23018 0.01016 0.03137 121 3PY 0.45947 0.15008 -1.04901 -0.17397 -0.05982 122 3PZ -0.30518 0.14130 -1.30882 0.19099 -0.01567 123 4XX -0.00634 0.02777 -0.04700 0.02608 0.00363 124 4YY 0.01691 0.00218 0.01878 -0.00963 0.00599 125 4ZZ -0.01475 0.00980 0.02142 -0.00799 -0.00602 126 4XY 0.04705 0.00060 -0.00244 -0.00566 0.01018 127 4XZ -0.01872 -0.00568 0.01295 0.00611 0.01203 128 4YZ -0.02499 0.04249 -0.01033 0.00551 0.01623 129 13 C 1S 0.00492 0.02120 0.00061 0.00547 -0.00248 130 2S -0.06882 0.08091 0.01305 0.05603 0.04209 131 2PX -0.05006 0.18925 -0.01353 0.01736 -0.02755 132 2PY 0.14843 0.13639 0.22724 -0.00291 -0.03276 133 2PZ 0.05478 -0.02903 -0.38737 -0.06987 -0.03279 134 3S 0.26771 0.14572 -0.07853 -0.35975 -0.14365 135 3PX 0.22047 -0.65385 -0.23013 0.01014 0.03075 136 3PY -0.45975 -0.15041 -1.04927 0.17382 0.05941 137 3PZ -0.30534 0.14103 1.30880 0.19101 -0.01588 138 4XX -0.00632 0.02778 0.04700 0.02609 0.00362 139 4YY 0.01689 0.00218 -0.01877 -0.00963 0.00598 140 4ZZ -0.01475 0.00979 -0.02143 -0.00800 -0.00601 141 4XY -0.04705 -0.00060 -0.00243 0.00566 -0.01017 142 4XZ -0.01875 -0.00568 -0.01295 0.00612 0.01203 143 4YZ 0.02498 -0.04249 -0.01035 -0.00552 -0.01623 144 14 C 1S -0.01329 0.00256 -0.01210 -0.01071 -0.00455 145 2S -0.02111 0.13457 0.15462 0.27160 -0.12692 146 2PX 0.05437 -0.03439 0.34002 0.02891 -0.08316 147 2PY -0.28883 0.10281 0.08672 0.12297 -0.03061 148 2PZ 0.05050 -0.55741 0.16223 0.18855 -0.06293 149 3S 0.25827 0.13590 -0.58140 -0.73574 0.49460 150 3PX -0.13967 -0.12704 -1.21190 -0.01497 0.14542 151 3PY 1.04295 0.00967 -0.02346 -0.13493 0.11002 152 3PZ 0.15809 1.26021 0.06882 -0.78519 0.23325 153 4XX -0.01096 -0.03177 -0.02418 -0.00885 0.00132 154 4YY 0.03195 0.02714 0.03336 0.01843 -0.01718 155 4ZZ -0.01938 0.03469 -0.01519 -0.00202 0.00397 156 4XY 0.00147 -0.00035 -0.01275 0.00435 -0.00288 157 4XZ 0.00289 -0.00951 0.01783 -0.00125 0.00678 158 4YZ -0.00552 0.04401 0.00465 -0.01691 0.00799 159 15 C 1S 0.01221 -0.02003 0.02024 0.01431 0.00355 160 2S -0.02235 0.21877 -0.05085 -0.07754 -0.04117 161 2PX -0.22122 0.07110 -0.06548 -0.17873 0.09742 162 2PY 0.11382 -0.16088 0.17427 0.23616 0.00294 163 2PZ -0.05024 -0.20234 -0.02542 -0.05893 -0.06325 164 3S -0.27145 -0.95317 -0.57518 0.97434 -0.19809 165 3PX 0.17026 -0.23195 0.28366 0.25692 -0.19314 166 3PY -0.25399 0.45426 -0.64316 -0.65060 0.08965 167 3PZ 0.39447 0.45526 0.66252 -0.05495 0.20519 168 4XX -0.02253 0.02451 -0.00098 -0.04548 0.00858 169 4YY 0.01615 -0.00378 -0.02835 0.01699 -0.00641 170 4ZZ 0.00167 -0.02144 0.02642 0.02661 -0.00918 171 4XY 0.00061 0.02102 -0.00257 -0.02251 0.01103 172 4XZ -0.00213 -0.00215 -0.01638 -0.00749 -0.01045 173 4YZ -0.05011 -0.05557 -0.00009 0.02725 -0.02499 174 16 H 1S 0.15962 -0.03614 -0.01133 0.02828 0.08470 175 2S -0.32050 -0.11174 0.43467 -0.20992 -0.17875 176 17 H 1S 0.03187 0.13874 -0.02176 0.04555 -0.05993 177 2S 0.43280 -0.05377 0.10148 0.00565 0.03180 178 18 H 1S -0.01810 0.08883 0.17662 -0.00370 -0.05372 179 2S -0.26082 0.15213 -0.54920 0.21726 0.07981 180 19 H 1S -0.01822 0.08880 -0.17672 -0.00376 -0.05366 181 2S -0.26089 0.15204 0.54931 0.21727 0.07951 182 20 H 1S 0.03178 0.13876 0.02176 0.04549 -0.05993 183 2S 0.43290 -0.05364 -0.10158 0.00576 0.03187 184 21 H 1S 0.15955 -0.03616 0.01138 0.02827 0.08467 185 2S -0.32042 -0.11181 -0.43469 -0.21002 -0.17860 186 22 H 1S 0.05699 0.24699 -0.19033 0.11707 0.02698 187 2S -0.20348 0.20510 0.36141 -0.02044 -0.04379 188 23 H 1S 0.05695 0.24701 0.19035 0.11712 0.02695 189 2S -0.20377 0.20503 -0.36151 -0.02049 -0.04352 91 92 93 94 95 V V V V V Eigenvalues -- 0.83568 0.84782 0.84912 0.85912 0.86660 1 1 C 1S 0.01140 0.01841 0.01118 -0.00751 -0.00192 2 2S -0.20704 -0.10835 -0.01765 -0.17931 -0.03697 3 2PX 0.03434 -0.28141 0.01697 0.14913 0.06429 4 2PY 0.07554 0.17978 0.09742 -0.06858 -0.29329 5 2PZ 0.43102 0.18645 0.20927 -0.07118 -0.13766 6 3S -0.14330 0.27412 -0.03011 0.21999 0.57096 7 3PX 0.25684 0.44012 0.06797 -0.38576 -0.27742 8 3PY -0.86421 -0.36968 -0.06391 0.12895 0.85345 9 3PZ -1.63444 -0.45342 -0.71922 0.25948 0.42890 10 4XX -0.00627 -0.00615 -0.03307 0.03814 0.01769 11 4YY -0.02542 0.00690 -0.00861 -0.02731 0.03879 12 4ZZ -0.02270 -0.01030 0.03381 -0.01445 -0.03353 13 4XY -0.00160 -0.00520 -0.01219 -0.00302 0.01095 14 4XZ 0.01040 -0.01902 -0.00455 0.00249 0.01685 15 4YZ 0.00334 0.01474 0.00898 0.03396 -0.01822 16 2 C 1S -0.01141 0.01833 -0.01129 -0.00751 0.00193 17 2S 0.20713 -0.10804 0.01821 -0.17921 0.03736 18 2PX -0.03412 -0.28155 -0.01537 0.14904 -0.06456 19 2PY 0.07576 -0.17919 0.09846 0.06824 -0.29335 20 2PZ -0.43119 0.18485 -0.21026 -0.07101 0.13762 21 3S 0.14294 0.27426 0.02862 0.21896 -0.57161 22 3PX -0.25718 0.43957 -0.07041 -0.38530 0.27795 23 3PY -0.86481 0.36877 -0.06610 -0.12779 0.85357 24 3PZ 1.63478 -0.44774 0.72165 0.25891 -0.42896 25 4XX 0.00629 -0.00595 0.03310 0.03812 -0.01772 26 4YY 0.02540 0.00697 0.00856 -0.02735 -0.03874 27 4ZZ 0.02272 -0.01047 -0.03374 -0.01441 0.03354 28 4XY -0.00161 0.00513 -0.01220 0.00304 0.01092 29 4XZ -0.01040 -0.01900 0.00464 0.00247 -0.01684 30 4YZ 0.00334 -0.01469 0.00906 -0.03399 -0.01816 31 3 C 1S 0.00000 -0.02393 0.00006 0.02832 -0.00002 32 2S -0.00017 0.31744 -0.00095 -0.59434 0.00049 33 2PX 0.00010 -0.19446 0.00054 0.21523 -0.00016 34 2PY -0.00076 0.00000 -0.00219 0.00001 0.00928 35 2PZ 0.00021 -0.19912 0.00057 -0.11677 0.00012 36 3S 0.00036 -0.61766 0.00188 1.22537 -0.00104 37 3PX -0.00025 0.53336 -0.00151 -0.49981 0.00040 38 3PY -0.00698 -0.00029 -0.09534 -0.00002 -0.00535 39 3PZ -0.00038 0.29090 -0.00085 0.49346 -0.00046 40 4XX 0.00004 -0.06532 0.00018 0.07533 -0.00006 41 4YY -0.00002 0.06303 -0.00018 -0.11124 0.00009 42 4ZZ -0.00003 0.01436 -0.00005 -0.00164 0.00000 43 4XY -0.00331 0.00003 0.01039 0.00000 -0.00182 44 4XZ 0.00004 -0.04601 0.00012 0.02625 -0.00001 45 4YZ -0.00987 0.00002 0.00671 -0.00001 -0.00534 46 4 O 1S -0.00563 -0.00135 -0.00254 0.00109 -0.00061 47 2S -0.05967 -0.08358 0.03956 0.04952 0.06783 48 2PX 0.03272 0.06121 -0.02024 -0.04893 0.04439 49 2PY 0.00382 0.03334 -0.04192 -0.02105 -0.01545 50 2PZ 0.10960 0.02571 -0.01490 0.00319 0.06113 51 3S 0.44820 0.32659 0.10578 -0.32781 -0.21264 52 3PX 0.13629 -0.03377 0.13984 -0.02743 -0.06195 53 3PY 0.10127 0.06217 0.04486 -0.04684 -0.03200 54 3PZ -0.04450 -0.06609 0.00041 -0.00492 -0.05706 55 4XX -0.01362 0.00679 0.03784 -0.04698 0.01167 56 4YY -0.01388 -0.03630 0.01546 0.05670 -0.00094 57 4ZZ -0.01919 -0.04034 -0.01263 0.02835 0.03897 58 4XY 0.01598 -0.01919 0.01334 0.03675 -0.01764 59 4XZ -0.00865 -0.01956 0.00048 0.02891 -0.01100 60 4YZ 0.00542 -0.02712 -0.01170 0.00723 0.01495 61 5 H 1S 0.01649 0.09854 0.22807 0.00683 -0.23068 62 2S -1.13666 -0.48710 -0.52066 0.13404 0.63620 63 6 H 1S -0.01649 0.09723 -0.22855 0.00708 0.23060 64 2S 1.13709 -0.48309 0.52323 0.13331 -0.63604 65 7 H 1S 0.00022 -0.40978 0.00111 0.47347 -0.00034 66 2S -0.00059 0.92106 -0.00261 -0.78903 0.00059 67 8 O 1S 0.00563 -0.00133 0.00255 0.00109 0.00061 68 2S 0.05967 -0.08375 -0.03915 0.04945 -0.06788 69 2PX -0.03273 0.06130 0.01993 -0.04898 -0.04428 70 2PY 0.00381 -0.03359 -0.04171 0.02103 -0.01547 71 2PZ -0.10972 0.02568 0.01470 0.00313 -0.06109 72 3S -0.44843 0.32556 -0.10751 -0.32751 0.21304 73 3PX -0.13626 -0.03472 -0.13964 -0.02734 0.06192 74 3PY 0.10143 -0.06182 0.04521 0.04677 -0.03204 75 3PZ 0.04468 -0.06604 0.00001 -0.00489 0.05703 76 4XX 0.01359 0.00658 -0.03789 -0.04699 -0.01159 77 4YY 0.01388 -0.03637 -0.01526 0.05670 0.00085 78 4ZZ 0.01921 -0.04025 0.01283 0.02831 -0.03898 79 4XY 0.01595 0.01928 0.01322 -0.03678 -0.01758 80 4XZ 0.00867 -0.01956 -0.00036 0.02892 0.01095 81 4YZ 0.00539 0.02706 -0.01184 -0.00720 0.01496 82 9 H 1S -0.00013 -0.00196 -0.00004 0.18047 -0.00014 83 2S 0.00026 -0.02416 0.00007 -0.75983 0.00068 84 10 C 1S 0.01251 -0.01441 0.01508 0.00237 0.02009 85 2S -0.25393 0.11423 0.04124 0.05271 -0.19903 86 2PX -0.03023 -0.02706 0.33338 0.01762 0.18902 87 2PY 0.35202 0.15072 -0.43481 -0.10269 -0.09673 88 2PZ -0.04058 0.08822 -0.27580 -0.19423 -0.45517 89 3S 1.50834 -0.57915 -1.44908 0.40495 -0.16909 90 3PX 0.19900 0.10922 -1.39384 -0.03600 -0.57368 91 3PY -0.79518 -0.32612 1.95076 0.34707 0.59459 92 3PZ -0.26957 -0.11943 1.49259 0.25408 1.43834 93 4XX -0.01687 0.01194 0.00999 -0.03514 -0.01868 94 4YY 0.04399 0.00400 -0.06334 0.01868 -0.03644 95 4ZZ -0.02805 -0.01548 0.01942 0.01811 0.00622 96 4XY -0.00169 -0.00056 0.00843 0.02050 -0.01837 97 4XZ 0.02264 0.01510 -0.00494 0.01950 -0.03007 98 4YZ -0.00639 -0.00054 -0.00574 0.00662 0.04854 99 11 C 1S 0.01293 0.01205 -0.00773 0.00058 0.02483 100 2S -0.06631 -0.00542 -0.06926 0.09003 -0.23061 101 2PX -0.13263 0.14384 -0.25073 0.02729 0.02280 102 2PY 0.00023 0.17160 0.24062 -0.04592 -0.23508 103 2PZ 0.00501 -0.02301 0.16221 0.01884 -0.12390 104 3S 0.32113 -0.20396 1.44551 -0.05963 0.78232 105 3PX 0.48962 -0.31746 1.39837 0.19588 -0.30446 106 3PY 0.28815 -0.28243 -1.22317 0.00002 0.25808 107 3PZ -0.74802 0.38882 -0.48798 -0.32960 0.36079 108 4XX 0.03973 0.01098 -0.01079 0.01115 -0.05055 109 4YY -0.04021 0.00999 -0.00029 -0.00265 0.08247 110 4ZZ 0.01087 -0.00414 0.03243 0.00406 -0.03978 111 4XY -0.00200 -0.00947 0.03199 0.01349 -0.00921 112 4XZ -0.03137 0.00025 -0.00021 -0.00556 0.00510 113 4YZ 0.00529 -0.00708 0.00129 -0.00989 -0.04974 114 12 C 1S -0.00709 -0.00210 -0.00894 0.01126 -0.00079 115 2S 0.15882 -0.23652 0.11095 0.18717 -0.05352 116 2PX -0.38897 0.16776 -0.00387 0.39031 -0.18637 117 2PY 0.22263 -0.09757 0.18045 0.04235 -0.14432 118 2PZ -0.24048 0.31142 0.15209 0.28292 -0.18855 119 3S -0.14461 0.88349 -0.87567 -0.76061 0.07389 120 3PX 1.39315 -0.17983 0.25642 -0.62050 0.42812 121 3PY -1.09172 0.43503 -0.93133 -0.32861 0.51511 122 3PZ 0.41650 -0.46032 -1.14832 -0.36777 0.85233 123 4XX -0.01275 -0.06148 0.03308 -0.02711 0.00382 124 4YY 0.02648 -0.00710 0.02134 0.00215 -0.01358 125 4ZZ 0.00691 0.03929 -0.06747 0.05608 0.00070 126 4XY 0.00453 -0.04183 0.00459 -0.07055 0.01467 127 4XZ -0.00589 -0.02798 0.04345 0.02890 -0.00052 128 4YZ 0.00811 -0.08283 0.00636 -0.03938 -0.00627 129 13 C 1S 0.00708 -0.00205 0.00895 0.01127 0.00078 130 2S -0.15865 -0.23736 -0.10965 0.18717 0.05340 131 2PX 0.38875 0.16798 0.00280 0.39051 0.18603 132 2PY 0.22258 0.09881 0.17992 -0.04247 -0.14426 133 2PZ 0.24026 0.31071 -0.15389 0.28323 0.18829 134 3S 0.14409 0.88893 0.87081 -0.76035 -0.07316 135 3PX -1.39276 -0.18222 -0.25524 -0.62116 -0.42748 136 3PY -1.09164 -0.44118 -0.92899 0.32908 0.51464 137 3PZ -0.41634 -0.45371 1.15089 -0.36876 -0.85202 138 4XX 0.01278 -0.06167 -0.03272 -0.02714 -0.00381 139 4YY -0.02646 -0.00726 -0.02130 0.00216 0.01361 140 4ZZ -0.00695 0.03968 0.06723 0.05610 -0.00075 141 4XY 0.00449 0.04184 0.00433 0.07055 0.01463 142 4XZ 0.00590 -0.02824 -0.04331 0.02888 0.00048 143 4YZ 0.00803 0.08288 0.00585 0.03938 -0.00628 144 14 C 1S -0.01294 0.01210 0.00766 0.00056 -0.02484 145 2S 0.06634 -0.00509 0.06930 0.09018 0.23058 146 2PX 0.13255 0.14544 0.24989 0.02731 -0.02277 147 2PY 0.00028 -0.16998 0.24174 0.04590 -0.23539 148 2PZ -0.00496 -0.02389 -0.16199 0.01903 0.12377 149 3S -0.32102 -0.21275 -1.44453 -0.06084 -0.78217 150 3PX -0.48959 -0.32608 -1.39656 0.19603 0.30415 151 3PY 0.28808 0.27486 -1.22533 -0.00053 0.25893 152 3PZ 0.74783 0.39184 0.48531 -0.33015 -0.36000 153 4XX -0.03973 0.01098 0.01072 0.01119 0.05055 154 4YY 0.04020 0.01006 0.00023 -0.00272 -0.08246 155 4ZZ -0.01087 -0.00437 -0.03241 0.00407 0.03978 156 4XY -0.00202 0.00966 0.03194 -0.01349 -0.00920 157 4XZ 0.03135 0.00029 0.00022 -0.00556 -0.00510 158 4YZ 0.00531 0.00710 0.00125 0.00981 -0.04977 159 15 C 1S -0.01249 -0.01449 -0.01500 0.00234 -0.02008 160 2S 0.25387 0.11412 -0.04191 0.05287 0.19906 161 2PX 0.03019 -0.02891 -0.33326 0.01733 -0.18892 162 2PY 0.35213 -0.15283 -0.43404 0.10256 -0.09693 163 2PZ 0.04056 0.08975 0.27530 -0.19355 0.45531 164 3S -1.50809 -0.57175 1.45253 0.40584 0.16816 165 3PX -0.19898 0.11708 1.39325 -0.03494 0.57350 166 3PY -0.79545 0.33610 1.94930 -0.34611 0.59521 167 3PZ 0.26963 -0.12788 -1.49192 0.25160 -1.43811 168 4XX 0.01685 0.01189 -0.01005 -0.03512 0.01871 169 4YY -0.04399 0.00430 0.06331 0.01873 0.03642 170 4ZZ 0.02807 -0.01554 -0.01933 0.01811 -0.00623 171 4XY -0.00167 0.00061 0.00842 -0.02052 -0.01835 172 4XZ -0.02264 0.01508 0.00484 0.01952 0.03006 173 4YZ -0.00642 0.00050 -0.00570 -0.00657 0.04853 174 16 H 1S 0.00737 -0.08527 0.18003 0.01268 0.32303 175 2S 0.22407 0.32830 -1.42364 -0.27033 -1.28240 176 17 H 1S -0.00292 -0.01750 -0.15598 0.01236 0.27995 177 2S -0.03423 0.18698 0.62659 0.04666 -0.68891 178 18 H 1S -0.09519 0.28443 -0.15692 0.37617 0.01473 179 2S 0.65412 -0.85459 -0.07031 -0.43523 0.42667 180 19 H 1S 0.09488 0.28543 0.15518 0.37620 -0.01501 181 2S -0.65342 -0.85455 0.07529 -0.43585 -0.42638 182 20 H 1S 0.00292 -0.01645 0.15610 0.01220 -0.28005 183 2S 0.03427 0.18280 -0.62786 0.04678 0.68940 184 21 H 1S -0.00722 -0.08619 -0.17956 0.01229 -0.32302 185 2S -0.22437 0.33598 1.42200 -0.26848 1.28248 186 22 H 1S -0.05961 -0.34726 0.12546 -0.17134 0.06945 187 2S -0.48246 0.33428 0.10682 0.85442 -0.56217 188 23 H 1S 0.05984 -0.34790 -0.12340 -0.17139 -0.06945 189 2S 0.48213 0.33390 -0.10894 0.85507 0.56150 96 97 98 99 100 V V V V V Eigenvalues -- 0.88230 0.88805 0.89108 0.89725 0.90402 1 1 C 1S -0.00488 0.00326 0.00751 0.00910 -0.00625 2 2S -0.39777 0.14919 0.03111 -0.21442 0.36025 3 2PX 0.15072 -0.05273 -0.00052 -0.14323 0.00952 4 2PY 0.14622 -0.11961 0.09798 0.13282 -0.16696 5 2PZ 0.23072 -0.23751 0.21021 0.18803 -0.25249 6 3S 0.96460 -0.20242 -0.52371 0.49991 -0.83085 7 3PX -0.19073 -0.11937 0.26774 0.34784 -0.10297 8 3PY -0.39925 0.54066 -0.67921 -0.25377 0.45263 9 3PZ -0.43088 0.83602 -0.78705 -0.44413 0.58972 10 4XX -0.03897 0.01943 -0.02123 -0.02173 0.02826 11 4YY -0.01888 0.02140 -0.02187 -0.01305 0.01990 12 4ZZ -0.00333 0.00288 0.02034 0.01892 0.00552 13 4XY -0.02732 0.00249 -0.00118 -0.04094 0.04942 14 4XZ 0.00387 -0.00818 -0.00982 -0.05603 0.00383 15 4YZ 0.05374 -0.00733 0.01584 0.01929 -0.05178 16 2 C 1S -0.00489 -0.00326 -0.00750 0.00911 -0.00625 17 2S -0.39779 -0.14927 -0.03100 -0.21444 0.36030 18 2PX 0.15070 0.05274 0.00021 -0.14325 0.00952 19 2PY -0.14623 -0.11967 0.09802 -0.13297 0.16697 20 2PZ 0.23050 0.23752 -0.21027 0.18827 -0.25248 21 3S 0.96507 0.20257 0.52325 0.49955 -0.83102 22 3PX -0.19095 0.11937 -0.26724 0.34799 -0.10302 23 3PY 0.39871 0.54080 -0.67949 0.25447 -0.45266 24 3PZ -0.43002 -0.83604 0.78704 -0.44494 0.58976 25 4XX -0.03896 -0.01944 0.02127 -0.02176 0.02826 26 4YY -0.01886 -0.02140 0.02186 -0.01307 0.01989 27 4ZZ -0.00334 -0.00287 -0.02032 0.01894 0.00554 28 4XY 0.02733 0.00250 -0.00117 0.04095 -0.04942 29 4XZ 0.00388 0.00817 0.00976 -0.05605 0.00382 30 4YZ -0.05373 -0.00735 0.01587 -0.01931 0.05179 31 3 C 1S 0.01456 0.00000 -0.00001 -0.00425 0.01178 32 2S -0.12046 -0.00004 -0.00029 -0.79105 -0.10199 33 2PX 0.00939 -0.00001 0.00009 0.27496 0.06519 34 2PY 0.00001 -0.00342 0.00625 0.00002 0.00000 35 2PZ -0.20260 -0.00002 0.00003 -0.15275 -0.02884 36 3S 0.14953 0.00007 0.00081 2.08159 0.36138 37 3PX -0.20440 0.00001 0.00000 -0.22274 0.15392 38 3PY -0.00007 -0.00904 -0.06146 -0.00001 0.00000 39 3PZ 0.74334 0.00005 -0.00029 0.09579 -0.05870 40 4XX 0.05561 0.00000 -0.00003 -0.02243 -0.01678 41 4YY -0.05510 -0.00001 0.00000 -0.03574 0.01911 42 4ZZ -0.00945 0.00000 0.00000 0.00221 0.02530 43 4XY 0.00000 -0.01254 0.00058 0.00000 0.00000 44 4XZ -0.00030 0.00000 -0.00001 -0.01681 0.01497 45 4YZ -0.00001 0.00489 -0.00418 0.00000 0.00000 46 4 O 1S -0.00654 0.00312 -0.00205 -0.00257 0.00884 47 2S 0.06959 -0.01697 0.01097 -0.22846 -0.02625 48 2PX -0.09037 -0.06260 0.00438 -0.03047 0.07708 49 2PY -0.07772 0.04284 -0.00105 0.20596 0.15546 50 2PZ -0.05064 -0.08821 0.01977 -0.10003 0.08488 51 3S -0.08888 -0.10428 0.19066 0.28764 -0.15908 52 3PX 0.06674 0.00274 0.08757 0.16547 -0.13359 53 3PY 0.21596 -0.11035 0.05398 -0.26973 -0.34773 54 3PZ 0.04554 0.05055 -0.02649 0.06653 -0.12710 55 4XX -0.00984 -0.00649 0.01082 -0.07684 -0.00315 56 4YY 0.06134 -0.00885 0.01541 -0.06123 -0.03346 57 4ZZ 0.00615 -0.00327 -0.01264 -0.09615 0.00735 58 4XY 0.01306 -0.01408 0.02010 0.03746 -0.00433 59 4XZ 0.02068 -0.00265 -0.01087 0.01820 -0.00748 60 4YZ 0.00499 -0.00705 -0.00352 -0.03302 0.01019 61 5 H 1S 0.14604 -0.06540 0.15915 0.16353 -0.22154 62 2S -0.76329 0.78358 -0.69959 -0.68030 0.92286 63 6 H 1S 0.14597 0.06548 -0.15910 0.16381 -0.22152 64 2S -0.76269 -0.78377 0.69974 -0.68116 0.92292 65 7 H 1S 0.20615 0.00000 -0.00003 0.16754 0.05318 66 2S -0.04250 0.00001 -0.00026 -0.66470 -0.06499 67 8 O 1S -0.00654 -0.00313 0.00205 -0.00257 0.00884 68 2S 0.06956 0.01693 -0.01124 -0.22849 -0.02625 69 2PX -0.09041 0.06260 -0.00432 -0.03049 0.07708 70 2PY 0.07772 0.04283 -0.00125 -0.20596 -0.15546 71 2PZ -0.05071 0.08818 -0.01983 -0.10009 0.08484 72 3S -0.08904 0.10433 -0.19032 0.28785 -0.15912 73 3PX 0.06668 -0.00274 -0.08751 0.16555 -0.13360 74 3PY -0.21590 -0.11034 0.05437 0.26971 0.34773 75 3PZ 0.04559 -0.05054 0.02653 0.06662 -0.12704 76 4XX -0.00984 0.00647 -0.01089 -0.07684 -0.00315 77 4YY 0.06133 0.00885 -0.01551 -0.06122 -0.03345 78 4ZZ 0.00615 0.00325 0.01255 -0.09617 0.00735 79 4XY -0.01305 -0.01409 0.02007 -0.03748 0.00434 80 4XZ 0.02070 0.00265 0.01088 0.01819 -0.00748 81 4YZ -0.00498 -0.00704 -0.00349 0.03304 -0.01019 82 9 H 1S 0.02061 -0.00001 0.00007 0.23782 0.18576 83 2S -0.53220 -0.00005 -0.00008 -0.80024 -0.16628 84 10 C 1S -0.02134 -0.00681 0.00468 0.00554 -0.00764 85 2S 0.01068 0.10180 -0.14378 -0.02006 0.32306 86 2PX -0.21914 -0.07789 -0.06354 -0.00426 -0.19876 87 2PY 0.12670 -0.24811 -0.09353 0.08482 0.20399 88 2PZ 0.26861 0.38525 0.18885 -0.05551 0.36307 89 3S 0.25349 0.06291 1.07381 -0.75947 -0.90247 90 3PX 0.39138 0.32430 0.35887 0.05405 0.50406 91 3PY -0.19423 1.47901 0.48905 -0.66740 -0.63529 92 3PZ -0.87739 -2.04288 -1.23566 0.10138 -0.88007 93 4XX 0.02893 0.02089 -0.01254 -0.00048 0.02032 94 4YY -0.01102 -0.02738 -0.01769 -0.03664 0.00912 95 4ZZ -0.02053 0.03479 0.04461 0.02687 0.02660 96 4XY 0.03164 0.00486 0.00542 -0.06954 0.01821 97 4XZ -0.00054 -0.02677 -0.00994 -0.03464 0.04270 98 4YZ -0.07043 -0.02098 0.00350 0.04746 -0.04592 99 11 C 1S 0.00057 -0.01292 0.01886 0.01043 0.01557 100 2S -0.13948 -0.06858 -0.36468 -0.13174 -0.01556 101 2PX -0.02537 -0.20297 0.00448 0.01519 -0.00092 102 2PY -0.21539 -0.08399 -0.56244 -0.10797 -0.24442 103 2PZ 0.08244 0.18596 0.22038 -0.06087 -0.01837 104 3S -0.18000 -0.84718 0.34203 0.35960 -0.09770 105 3PX 0.09533 0.71819 0.49799 -0.46914 -0.15695 106 3PY 0.76331 0.45435 1.66284 0.42190 0.79148 107 3PZ -0.45381 -1.62347 -1.10983 0.85383 0.22221 108 4XX -0.01887 -0.01326 -0.02539 0.01858 -0.00325 109 4YY 0.00711 -0.00989 0.06495 0.00382 0.03558 110 4ZZ -0.03116 -0.01742 -0.07996 -0.03198 -0.03983 111 4XY -0.02638 -0.00760 -0.02749 -0.00939 -0.00297 112 4XZ 0.02746 0.03113 0.00582 -0.02192 -0.03277 113 4YZ 0.01746 0.05799 0.04532 -0.03363 0.01634 114 12 C 1S 0.00605 0.00291 -0.00260 -0.02599 -0.00465 115 2S -0.41333 -0.17284 -0.01440 -0.02945 0.19100 116 2PX -0.10058 -0.44443 0.05105 -0.05771 0.11020 117 2PY -0.10044 0.11295 0.07025 0.01951 0.00365 118 2PZ 0.13670 -0.23746 0.33656 -0.04380 0.11738 119 3S 0.72220 0.21473 0.28262 0.75954 0.05650 120 3PX 0.09348 1.51556 0.07546 -0.08315 -0.37031 121 3PY 0.05449 -0.90321 -0.73487 0.30532 0.07343 122 3PZ -0.25131 0.42195 -1.16519 0.19596 -0.21935 123 4XX 0.01077 0.03548 -0.01364 -0.03489 -0.01976 124 4YY -0.07127 -0.00135 0.00119 0.03678 0.03700 125 4ZZ -0.00711 -0.05814 0.01591 -0.01896 0.02126 126 4XY 0.07033 0.02942 0.02385 0.00857 0.00996 127 4XZ 0.00607 0.02385 -0.02679 -0.03469 -0.04778 128 4YZ -0.00879 -0.00299 -0.03638 0.05582 0.01272 129 13 C 1S 0.00606 -0.00291 0.00257 -0.02600 -0.00465 130 2S -0.41330 0.17279 0.01492 -0.02942 0.19095 131 2PX -0.10060 0.44442 -0.05077 -0.05770 0.11016 132 2PY 0.10039 0.11300 0.07011 -0.01967 -0.00365 133 2PZ 0.13644 0.23762 -0.33659 -0.04349 0.11739 134 3S 0.72162 -0.21452 -0.28291 0.75968 0.05655 135 3PX 0.09353 -1.51550 -0.07600 -0.08282 -0.37016 136 3PY -0.05484 -0.90343 -0.73507 -0.30423 -0.07346 137 3PZ -0.25072 -0.42230 1.16541 0.19452 -0.21947 138 4XX 0.01079 -0.03549 0.01356 -0.03489 -0.01975 139 4YY -0.07128 0.00135 -0.00106 0.03680 0.03700 140 4ZZ -0.00713 0.05814 -0.01588 -0.01899 0.02124 141 4XY -0.07029 0.02941 0.02397 -0.00860 -0.00996 142 4XZ 0.00610 -0.02387 0.02676 -0.03471 -0.04777 143 4YZ 0.00874 -0.00300 -0.03641 -0.05579 -0.01273 144 14 C 1S 0.00053 0.01292 -0.01885 0.01045 0.01557 145 2S -0.13896 0.06862 0.36473 -0.13208 -0.01558 146 2PX -0.02544 0.20302 -0.00432 0.01510 -0.00095 147 2PY 0.21460 -0.08391 -0.56248 0.10843 0.24440 148 2PZ 0.08237 -0.18593 -0.22057 -0.06066 -0.01835 149 3S -0.18058 0.84696 -0.34167 0.36010 -0.09766 150 3PX 0.09530 -0.71840 -0.49873 -0.46825 -0.15687 151 3PY -0.76095 0.45393 1.66278 -0.42342 -0.79143 152 3PZ -0.45330 1.62349 1.11119 0.85255 0.22206 153 4XX -0.01883 0.01327 0.02545 0.01856 -0.00325 154 4YY 0.00701 0.00988 -0.06498 0.00385 0.03559 155 4ZZ -0.03106 0.01743 0.07997 -0.03202 -0.03984 156 4XY 0.02633 -0.00759 -0.02750 0.00941 0.00298 157 4XZ 0.02746 -0.03114 -0.00588 -0.02192 -0.03276 158 4YZ -0.01743 0.05799 0.04535 0.03358 -0.01633 159 15 C 1S -0.02135 0.00681 -0.00465 0.00554 -0.00764 160 2S 0.01101 -0.10175 0.14374 -0.02012 0.32309 161 2PX -0.21910 0.07784 0.06375 -0.00432 -0.19873 162 2PY -0.12674 -0.24806 -0.09343 -0.08477 -0.20406 163 2PZ 0.26859 -0.38523 -0.18925 -0.05529 0.36304 164 3S 0.25178 -0.06298 -1.07452 -0.75859 -0.90264 165 3PX 0.39101 -0.32417 -0.35917 0.05427 0.50400 166 3PY 0.19431 1.47873 0.48919 0.66695 0.63536 167 3PZ -0.87663 2.04295 1.23673 0.10013 -0.88002 168 4XX 0.02896 -0.02090 0.01249 -0.00049 0.02032 169 4YY -0.01102 0.02739 0.01767 -0.03662 0.00910 170 4ZZ -0.02054 -0.03478 -0.04455 0.02689 0.02661 171 4XY -0.03164 0.00485 0.00551 0.06954 -0.01821 172 4XZ -0.00053 0.02678 0.00991 -0.03462 0.04269 173 4YZ 0.07047 -0.02095 0.00340 -0.04746 0.04592 174 16 H 1S -0.26144 -0.04360 -0.03271 0.31315 -0.18751 175 2S 0.83003 0.58326 0.28835 -0.08101 1.15498 176 17 H 1S 0.12064 -0.00811 0.34306 0.05362 0.27987 177 2S -0.57994 -0.18590 -1.46306 -0.38686 -0.70978 178 18 H 1S 0.02965 -0.17702 0.02057 -0.31995 -0.10525 179 2S -0.29178 0.72309 -0.69414 0.23341 -0.16409 180 19 H 1S 0.02960 0.17703 -0.02074 -0.32003 -0.10527 181 2S -0.29132 -0.72321 0.69441 0.23282 -0.16409 182 20 H 1S 0.12010 0.00813 -0.34312 0.05388 0.27988 183 2S -0.57786 0.18585 1.46319 -0.38800 -0.70974 184 21 H 1S -0.26152 0.04361 0.03330 0.31305 -0.18750 185 2S 0.83005 -0.58307 -0.28933 -0.08053 1.15499 186 22 H 1S 0.29723 0.27481 -0.11362 -0.21154 -0.12958 187 2S -0.47049 -1.08745 0.31853 -0.02475 0.39427 188 23 H 1S 0.29733 -0.27486 0.11290 -0.21164 -0.12955 189 2S -0.47064 1.08751 -0.31752 -0.02449 0.39418 101 102 103 104 105 V V V V V Eigenvalues -- 0.91950 0.95055 0.96227 0.97337 0.98560 1 1 C 1S 0.00373 0.00230 0.00986 0.01328 -0.00075 2 2S 0.12445 0.24932 0.19014 -0.04739 -0.64310 3 2PX -0.09301 -0.14997 0.04024 0.05848 -0.02040 4 2PY -0.03903 -0.07762 0.07898 -0.05721 -0.05211 5 2PZ 0.04489 -0.06241 0.08627 0.00481 0.26751 6 3S -0.18130 -0.67246 -1.06286 0.19995 2.50847 7 3PX 0.15083 0.30247 0.07896 -0.63752 -0.40888 8 3PY 0.08817 0.29811 -0.66494 0.29472 0.62081 9 3PZ -0.02574 0.14353 -0.52808 0.19323 -0.72108 10 4XX 0.02839 0.00518 -0.00122 -0.01167 -0.00747 11 4YY -0.00142 0.00942 -0.00904 0.00977 0.00057 12 4ZZ 0.00310 0.00926 0.01371 0.01906 -0.02255 13 4XY 0.02313 -0.01129 -0.01149 -0.00044 0.00698 14 4XZ -0.02627 -0.01700 0.00276 0.01190 -0.01168 15 4YZ 0.01466 -0.07992 0.00315 0.00799 0.01045 16 2 C 1S 0.00372 0.00230 -0.00986 -0.01329 0.00075 17 2S 0.12443 0.24935 -0.19004 0.04732 0.64314 18 2PX -0.09301 -0.14996 -0.04028 -0.05843 0.02039 19 2PY 0.03903 0.07756 0.07904 -0.05724 -0.05212 20 2PZ 0.04485 -0.06239 -0.08631 -0.00480 -0.26745 21 3S -0.18114 -0.67274 1.06253 -0.19974 -2.50846 22 3PX 0.15090 0.30261 -0.07885 0.63743 0.40886 23 3PY -0.08824 -0.29786 -0.66517 0.29489 0.62082 24 3PZ -0.02562 0.14334 0.52815 -0.19327 0.72101 25 4XX 0.02840 0.00517 0.00122 0.01167 0.00746 26 4YY -0.00142 0.00940 0.00904 -0.00977 -0.00056 27 4ZZ 0.00309 0.00927 -0.01371 -0.01907 0.02255 28 4XY -0.02313 0.01129 -0.01148 -0.00042 0.00697 29 4XZ -0.02627 -0.01700 -0.00277 -0.01190 0.01168 30 4YZ -0.01465 0.07992 0.00318 0.00799 0.01045 31 3 C 1S -0.00175 -0.00921 0.00000 0.00000 0.00000 32 2S -0.63060 -0.22681 -0.00006 0.00000 0.00002 33 2PX 0.31095 0.18000 0.00003 -0.00001 0.00003 34 2PY 0.00002 -0.00001 0.05361 0.07029 -0.10994 35 2PZ -0.09730 0.10638 0.00004 -0.00001 -0.00001 36 3S 1.69452 0.75657 0.00015 -0.00002 0.00001 37 3PX -0.24927 -0.10158 -0.00003 -0.00002 -0.00002 38 3PY -0.00002 0.00006 -0.19180 -0.09737 0.42766 39 3PZ 0.02719 -0.62170 -0.00014 0.00007 0.00001 40 4XX -0.03711 -0.07257 -0.00001 0.00001 -0.00001 41 4YY -0.04325 0.02748 0.00000 0.00000 0.00001 42 4ZZ 0.02588 0.02301 0.00000 -0.00001 0.00000 43 4XY 0.00001 0.00000 0.02464 0.05420 -0.03408 44 4XZ 0.00286 -0.00551 0.00000 0.00000 0.00000 45 4YZ -0.00001 0.00000 0.00080 -0.03214 -0.04366 46 4 O 1S 0.00305 0.00299 -0.00211 0.00135 -0.00233 47 2S -0.08001 -0.08931 0.10175 0.19493 -0.21931 48 2PX 0.11499 0.02822 0.02001 -0.04360 -0.05861 49 2PY 0.15130 0.10375 -0.08883 -0.23632 0.06530 50 2PZ 0.04846 -0.02437 0.11107 -0.14202 -0.32030 51 3S 0.01602 0.16722 -0.02013 -0.54829 0.29826 52 3PX -0.06901 0.06692 0.10280 0.01623 -0.03474 53 3PY -0.27593 -0.22123 0.18416 0.29837 -0.15353 54 3PZ -0.05884 0.03342 -0.15994 0.23866 0.59664 55 4XX -0.03934 0.01361 0.04769 0.07274 -0.10712 56 4YY -0.02899 -0.06253 0.02843 0.02158 -0.07285 57 4ZZ -0.02121 -0.03374 0.02371 0.07956 -0.03746 58 4XY 0.02842 -0.00123 0.01336 -0.00088 -0.01078 59 4XZ -0.00959 -0.01252 -0.00891 0.01056 0.01985 60 4YZ -0.01981 -0.01953 -0.00568 -0.00001 0.00773 61 5 H 1S 0.01106 -0.15510 0.05322 0.17770 0.18507 62 2S 0.05147 0.57690 -0.43579 0.10196 -0.86963 63 6 H 1S 0.01097 -0.15511 -0.05331 -0.17770 -0.18506 64 2S 0.05160 0.57676 0.43615 -0.10218 0.86955 65 7 H 1S 0.18775 -0.03774 -0.00001 0.00000 0.00002 66 2S -0.64881 -0.38041 -0.00009 0.00001 -0.00002 67 8 O 1S 0.00305 0.00299 0.00211 -0.00135 0.00233 68 2S -0.08004 -0.08930 -0.10177 -0.19492 0.21931 69 2PX 0.11501 0.02823 -0.01999 0.04358 0.05862 70 2PY -0.15134 -0.10375 -0.08883 -0.23629 0.06522 71 2PZ 0.04848 -0.02434 -0.11108 0.14201 0.32031 72 3S 0.01605 0.16727 0.02016 0.54824 -0.29823 73 3PX -0.06905 0.06696 -0.10280 -0.01622 0.03476 74 3PY 0.27599 0.22121 0.18420 0.29832 -0.15343 75 3PZ -0.05886 0.03336 0.15995 -0.23863 -0.59663 76 4XX -0.03935 0.01362 -0.04769 -0.07275 0.10713 77 4YY -0.02900 -0.06253 -0.02845 -0.02157 0.07284 78 4ZZ -0.02122 -0.03374 -0.02371 -0.07955 0.03746 79 4XY -0.02842 0.00123 0.01336 -0.00088 -0.01076 80 4XZ -0.00959 -0.01252 0.00891 -0.01055 -0.01986 81 4YZ 0.01980 0.01953 -0.00567 0.00000 0.00773 82 9 H 1S 0.30399 0.15585 0.00002 -0.00002 0.00003 83 2S -0.72428 0.04718 0.00002 -0.00003 -0.00001 84 10 C 1S -0.00330 -0.00178 -0.00183 -0.00021 0.01005 85 2S 0.29420 -0.23098 -0.13979 0.41420 0.47065 86 2PX 0.03951 0.13859 -0.05333 0.02774 0.07729 87 2PY 0.10526 -0.12460 0.19161 0.22529 -0.08753 88 2PZ 0.09023 -0.16172 -0.06449 -0.03413 0.06220 89 3S -0.45323 0.64564 0.56185 -1.29673 -2.00035 90 3PX -0.12667 -0.22402 -0.10733 -0.43714 0.07704 91 3PY 0.06201 0.26456 -1.00038 -1.98245 0.70267 92 3PZ -0.00048 0.25021 0.60269 1.16809 -0.52300 93 4XX 0.02941 -0.00714 -0.00573 0.01884 0.03156 94 4YY 0.04955 -0.02604 0.02118 0.03616 -0.00088 95 4ZZ -0.03565 0.00571 -0.02246 -0.00812 0.03679 96 4XY 0.03045 0.01272 0.01630 0.00655 -0.02416 97 4XZ 0.00681 -0.00224 0.02804 0.02084 -0.02836 98 4YZ -0.04625 0.02890 -0.00578 0.00984 0.03071 99 11 C 1S -0.00458 -0.00595 -0.00522 0.00839 0.01181 100 2S 0.31133 -0.30329 -0.01778 -0.16814 0.14237 101 2PX -0.04569 -0.04964 -0.03405 -0.02380 0.00372 102 2PY 0.38747 -0.27617 0.01877 -0.18978 0.04404 103 2PZ -0.07833 -0.00677 -0.04948 -0.27832 -0.21086 104 3S -0.66491 0.84288 0.48390 1.70542 -0.72830 105 3PX 0.17143 0.21600 0.16196 -0.24345 -0.21428 106 3PY -0.80612 0.34742 -0.13473 0.27429 -0.19081 107 3PZ -0.05391 -0.19692 0.54712 2.11739 0.57345 108 4XX -0.00388 -0.03731 -0.01880 -0.07710 -0.00586 109 4YY -0.02877 0.02239 -0.00612 0.01803 0.05915 110 4ZZ 0.08431 -0.03672 0.02270 0.07327 -0.02620 111 4XY 0.01546 -0.00404 0.05135 0.04802 -0.02976 112 4XZ 0.01148 0.02586 0.02628 -0.02440 0.00075 113 4YZ 0.01144 0.00129 0.01509 0.02648 -0.02531 114 12 C 1S 0.01139 0.00821 0.02506 -0.00752 0.00996 115 2S -0.21568 -0.39438 -0.70421 0.17461 -0.18463 116 2PX -0.15060 -0.30681 -0.20013 0.03999 -0.10951 117 2PY -0.00986 -0.19612 -0.21220 -0.01810 -0.17252 118 2PZ -0.17908 0.19509 0.25219 -0.08231 0.02689 119 3S 0.19505 0.80475 1.64217 0.02181 0.49397 120 3PX 0.39655 0.58469 0.11410 -0.74179 0.05479 121 3PY 0.03921 0.16847 0.43283 0.55912 0.90863 122 3PZ 0.22487 -0.32022 -0.75652 -0.12928 0.16179 123 4XX 0.03286 0.00022 0.02843 0.10917 -0.03235 124 4YY -0.04092 -0.07179 -0.04729 0.00713 -0.02118 125 4ZZ -0.01777 0.00944 -0.04870 -0.09481 0.03786 126 4XY -0.00977 0.00395 0.01982 0.01478 0.00559 127 4XZ 0.02100 0.03069 0.06514 -0.03665 -0.00145 128 4YZ -0.03207 -0.06576 -0.00839 0.02977 -0.01081 129 13 C 1S 0.01139 0.00822 -0.02506 0.00751 -0.00997 130 2S -0.21563 -0.39470 0.70416 -0.17435 0.18461 131 2PX -0.15058 -0.30689 0.20009 -0.03991 0.10955 132 2PY 0.00988 0.19617 -0.21209 -0.01816 -0.17249 133 2PZ -0.17919 0.19518 -0.25208 0.08229 -0.02688 134 3S 0.19488 0.80542 -1.64205 -0.02221 -0.49388 135 3PX 0.39650 0.58471 -0.11404 0.74158 -0.05487 136 3PY -0.03931 -0.16858 0.43271 0.55923 0.90854 137 3PZ 0.22539 -0.32017 0.75633 0.12943 -0.16178 138 4XX 0.03284 0.00019 -0.02842 -0.10918 0.03235 139 4YY -0.04092 -0.07182 0.04727 -0.00709 0.02119 140 4ZZ -0.01775 0.00946 0.04869 0.09482 -0.03787 141 4XY 0.00979 -0.00395 0.01983 0.01476 0.00559 142 4XZ 0.02101 0.03072 -0.06514 0.03659 0.00144 143 4YZ 0.03207 0.06576 -0.00836 0.02975 -0.01079 144 14 C 1S -0.00459 -0.00595 0.00522 -0.00838 -0.01181 145 2S 0.31144 -0.30320 0.01765 0.16814 -0.14240 146 2PX -0.04563 -0.04965 0.03402 0.02381 -0.00372 147 2PY -0.38756 0.27607 0.01889 -0.18979 0.04402 148 2PZ -0.07838 -0.00670 0.04946 0.27829 0.21090 149 3S -0.66518 0.84249 -0.48344 -1.70537 0.72822 150 3PX 0.17116 0.21596 -0.16181 0.24340 0.21432 151 3PY 0.80641 -0.34712 -0.13483 0.27455 -0.19059 152 3PZ -0.05377 -0.19701 -0.54720 -2.11727 -0.57354 153 4XX -0.00386 -0.03731 0.01878 0.07710 0.00585 154 4YY -0.02879 0.02238 0.00613 -0.01803 -0.05912 155 4ZZ 0.08431 -0.03672 -0.02270 -0.07326 0.02618 156 4XY -0.01546 0.00402 0.05136 0.04803 -0.02974 157 4XZ 0.01147 0.02588 -0.02626 0.02440 -0.00076 158 4YZ -0.01144 -0.00127 0.01510 0.02649 -0.02534 159 15 C 1S -0.00330 -0.00178 0.00183 0.00021 -0.01006 160 2S 0.29412 -0.23107 0.13973 -0.41425 -0.47082 161 2PX 0.03952 0.13855 0.05341 -0.02775 -0.07727 162 2PY -0.10524 0.12462 0.19164 0.22527 -0.08748 163 2PZ 0.09014 -0.16173 0.06444 0.03418 -0.06220 164 3S -0.45314 0.64583 -0.56164 1.29673 2.00074 165 3PX -0.12668 -0.22394 0.10723 0.43722 -0.07711 166 3PY -0.06212 -0.26466 -1.00033 -1.98212 0.70239 167 3PZ -0.00016 0.25030 -0.60275 -1.16848 0.52312 168 4XX 0.02941 -0.00714 0.00573 -0.01883 -0.03156 169 4YY 0.04953 -0.02603 -0.02119 -0.03617 0.00086 170 4ZZ -0.03564 0.00570 0.02245 0.00812 -0.03680 171 4XY -0.03045 -0.01272 0.01630 0.00656 -0.02417 172 4XZ 0.00680 -0.00224 -0.02805 -0.02085 0.02835 173 4YZ 0.04627 -0.02891 -0.00580 0.00983 0.03072 174 16 H 1S -0.28606 0.09416 -0.12562 -0.16337 0.17223 175 2S 0.34991 -0.49396 0.03129 0.39401 0.24615 176 17 H 1S -0.29938 0.18705 -0.04281 0.08072 0.08780 177 2S 0.93902 -0.59469 0.14545 -0.46002 -0.00323 178 18 H 1S 0.10638 0.38344 0.32185 -0.45463 0.25624 179 2S 0.05685 -0.74644 -1.05358 0.37187 -0.51823 180 19 H 1S 0.10645 0.38369 -0.32169 0.45447 -0.25627 181 2S 0.05706 -0.74683 1.05324 -0.37161 0.51813 182 20 H 1S -0.29947 0.18699 0.04289 -0.08070 -0.08770 183 2S 0.93931 -0.59440 -0.14573 0.45993 0.00318 184 21 H 1S -0.28603 0.09416 0.12567 0.16343 -0.17226 185 2S 0.34967 -0.49407 -0.03149 -0.39402 -0.24628 186 22 H 1S 0.15878 0.21083 0.54828 0.14272 0.07325 187 2S -0.47323 -0.66897 -0.93357 -0.00501 -0.35350 188 23 H 1S 0.15875 0.21101 -0.54821 -0.14284 -0.07330 189 2S -0.47321 -0.66925 0.93343 0.00529 0.35352 106 107 108 109 110 V V V V V Eigenvalues -- 1.01135 1.05344 1.07612 1.12043 1.12968 1 1 C 1S 0.01205 0.01974 -0.00240 -0.01326 0.01072 2 2S 0.49403 0.16897 -0.42442 0.10516 0.37515 3 2PX 0.01266 -0.02777 -0.16506 0.02633 0.09713 4 2PY -0.02549 0.15419 -0.10220 -0.06223 0.04468 5 2PZ -0.01008 0.22995 -0.07961 0.09280 0.07947 6 3S -0.69193 0.09683 2.26600 -0.04049 -0.17655 7 3PX -0.42231 -0.08936 -0.12832 -0.24045 -0.05671 8 3PY 0.10862 -0.35110 1.61261 0.25647 -0.35228 9 3PZ 0.65463 -0.37871 1.17947 0.03151 -0.13768 10 4XX 0.05502 0.03037 -0.06583 -0.09507 0.00096 11 4YY 0.01492 0.03873 0.01311 0.00413 0.05310 12 4ZZ 0.04770 -0.03893 0.05621 0.06805 -0.02832 13 4XY 0.00482 0.04592 -0.03776 0.06909 0.03423 14 4XZ -0.09753 0.00821 -0.02848 -0.02209 -0.02323 15 4YZ 0.02186 0.01032 0.03332 0.02455 -0.07054 16 2 C 1S -0.01205 0.01974 0.00239 -0.01326 0.01071 17 2S -0.49408 0.16901 0.42435 0.10473 0.37563 18 2PX -0.01270 -0.02770 0.16506 0.02614 0.09736 19 2PY -0.02551 -0.15424 -0.10216 0.06247 -0.04499 20 2PZ 0.01010 0.22998 0.07955 0.09292 0.07934 21 3S 0.69205 0.09657 -2.26595 -0.03851 -0.17830 22 3PX 0.42235 -0.08955 0.12832 -0.23981 -0.05780 23 3PY 0.10875 0.35159 1.61263 -0.25804 0.35368 24 3PZ -0.65464 -0.37894 -1.17924 0.03055 -0.13607 25 4XX -0.05502 0.03039 0.06580 -0.09503 0.00090 26 4YY -0.01492 0.03872 -0.01313 0.00414 0.05308 27 4ZZ -0.04769 -0.03894 -0.05617 0.06799 -0.02824 28 4XY 0.00480 -0.04593 -0.03776 -0.06907 -0.03423 29 4XZ 0.09753 0.00821 0.02847 -0.02209 -0.02328 30 4YZ 0.02186 -0.01031 0.03332 -0.02451 0.07047 31 3 C 1S 0.00000 -0.00529 0.00000 0.05231 -0.05102 32 2S 0.00001 -0.08711 0.00007 0.81755 -0.78646 33 2PX 0.00001 0.22101 -0.00002 0.16839 0.10881 34 2PY -0.16921 -0.00001 -0.12322 0.00006 -0.00007 35 2PZ -0.00001 -0.07482 0.00001 0.07341 0.00843 36 3S -0.00001 0.40740 -0.00013 -1.40267 1.65113 37 3PX 0.00000 -0.15075 0.00001 -0.15911 -0.25147 38 3PY 0.56971 -0.00001 0.52694 -0.00007 0.00004 39 3PZ 0.00003 0.12849 -0.00005 -0.58039 -0.19231 40 4XX 0.00000 -0.08741 0.00001 0.02803 -0.20966 41 4YY 0.00001 0.02557 -0.00001 0.10916 -0.00389 42 4ZZ 0.00000 0.02366 0.00001 0.02927 0.03403 43 4XY -0.06239 0.00000 0.05643 0.00003 -0.00006 44 4XZ 0.00000 0.04283 -0.00001 -0.07601 0.09109 45 4YZ -0.02629 0.00004 0.19718 -0.00001 -0.00001 46 4 O 1S 0.01097 0.00403 -0.00323 0.00411 0.00961 47 2S -0.21426 0.13379 -0.26014 -0.02669 0.20298 48 2PX 0.08257 0.13828 0.24223 -0.17349 0.12446 49 2PY 0.31263 0.04458 0.12080 0.28153 -0.23619 50 2PZ -0.23539 0.04164 0.32210 -0.12913 -0.05345 51 3S 0.27871 -0.21637 0.26787 0.14087 -0.58588 52 3PX -0.35641 -0.13213 -0.57831 0.22588 -0.11826 53 3PY -0.54146 0.01232 -0.34019 -0.45846 0.36176 54 3PZ 0.39162 0.02069 -0.40816 0.32243 0.16137 55 4XX -0.10170 0.05196 -0.01141 0.00730 0.13817 56 4YY 0.00611 -0.00953 -0.06242 0.02039 -0.06401 57 4ZZ -0.09342 0.06529 -0.15922 -0.07772 0.11548 58 4XY 0.02736 -0.03284 0.01446 -0.04613 -0.01558 59 4XZ -0.03503 -0.03606 0.11676 -0.02196 -0.01775 60 4YZ -0.01414 -0.00337 -0.02746 -0.00964 0.00050 61 5 H 1S 0.13616 0.12886 0.39389 0.13671 -0.11604 62 2S 0.41731 -0.44678 0.30529 -0.03876 0.04133 63 6 H 1S -0.13614 0.12881 -0.39390 0.13645 -0.11556 64 2S -0.41741 -0.44699 -0.30526 -0.03875 0.04145 65 7 H 1S 0.00001 0.14561 -0.00001 0.09503 -0.08858 66 2S 0.00000 -0.23301 0.00003 0.08075 -0.55432 67 8 O 1S -0.01097 0.00403 0.00323 0.00410 0.00963 68 2S 0.21426 0.13383 0.26008 -0.02687 0.20318 69 2PX -0.08256 0.13822 -0.24232 -0.17338 0.12440 70 2PY 0.31258 -0.04453 0.12078 -0.28175 0.23650 71 2PZ 0.23543 0.04144 -0.32210 -0.12915 -0.05338 72 3S -0.27871 -0.21648 -0.26776 0.14168 -0.58697 73 3PX 0.35639 -0.13206 0.57843 0.22591 -0.11850 74 3PY -0.54139 -0.01245 -0.34014 0.45890 -0.36230 75 3PZ -0.39169 0.02101 0.40812 0.32243 0.16138 76 4XX 0.10170 0.05194 0.01139 0.00722 0.13828 77 4YY -0.00611 -0.00953 0.06242 0.02035 -0.06397 78 4ZZ 0.09341 0.06534 0.15918 -0.07779 0.11553 79 4XY 0.02736 0.03285 0.01446 0.04614 0.01558 80 4XZ 0.03503 -0.03609 -0.11674 -0.02198 -0.01768 81 4YZ -0.01415 0.00335 -0.02748 0.00968 -0.00054 82 9 H 1S 0.00001 0.09884 0.00000 0.20897 0.00241 83 2S 0.00000 -0.27753 0.00009 0.53712 -0.37985 84 10 C 1S -0.01224 -0.01782 0.00088 -0.01792 -0.01861 85 2S -0.25298 -0.46998 0.26345 -0.57007 -0.57867 86 2PX 0.10732 0.18208 -0.03428 -0.01030 -0.01575 87 2PY 0.17237 -0.19595 -0.00224 -0.03415 0.08306 88 2PZ -0.16639 0.01382 -0.00168 0.08438 0.13575 89 3S 0.94571 1.63484 -1.27527 2.13097 1.08275 90 3PX -0.47120 -0.43255 -0.22171 0.13358 0.18669 91 3PY -1.85619 1.08526 -0.14356 0.46751 -0.22588 92 3PZ 1.14210 0.23113 0.57166 -0.77033 -0.74388 93 4XX 0.01240 0.01704 0.00577 0.01741 0.06971 94 4YY 0.01804 -0.01082 0.00341 -0.08729 -0.09304 95 4ZZ -0.06832 -0.06252 -0.00048 0.00411 -0.03700 96 4XY 0.00523 0.08431 -0.00270 -0.00971 -0.08904 97 4XZ 0.02143 0.00015 -0.01906 0.01586 -0.02442 98 4YZ 0.00000 -0.00549 0.00298 -0.06783 -0.03646 99 11 C 1S -0.00565 -0.00338 -0.01649 0.00761 0.00631 100 2S -0.48260 -0.25518 -0.05839 0.61479 0.39179 101 2PX 0.10997 0.03867 -0.11558 -0.14472 -0.00063 102 2PY -0.04358 -0.00366 -0.04980 0.02605 0.04861 103 2PZ -0.08680 0.12291 -0.12834 0.13263 0.02118 104 3S 1.94298 0.18304 0.89617 -2.09926 -1.58466 105 3PX -0.27142 0.33454 -0.10014 0.46086 -0.15557 106 3PY 0.15670 -0.67653 -0.28449 0.42009 0.55303 107 3PZ 1.00308 -0.89477 0.71272 -1.01363 -0.01943 108 4XX 0.01338 -0.09737 -0.04943 0.03118 0.08614 109 4YY -0.08135 0.08018 0.01172 0.03437 -0.00403 110 4ZZ 0.02778 -0.01443 0.01840 -0.02003 -0.03873 111 4XY 0.02208 -0.03290 -0.01678 0.00426 -0.06990 112 4XZ 0.02107 0.03608 -0.00037 -0.03602 -0.01509 113 4YZ 0.00758 0.04070 -0.00561 -0.01069 -0.01080 114 12 C 1S -0.00787 0.00179 0.00037 0.00447 -0.00752 115 2S -0.10845 0.30127 -0.00420 0.02664 -0.13475 116 2PX -0.05113 0.13014 -0.00563 0.11823 0.08272 117 2PY 0.00833 0.01767 -0.04177 0.05593 0.02278 118 2PZ 0.03554 -0.17464 -0.06261 0.13859 0.18879 119 3S 0.60048 -1.23043 -0.09719 -0.30778 0.70996 120 3PX 0.08921 0.17933 -0.07252 -0.32596 -0.46261 121 3PY -0.06787 -0.11251 0.38082 -0.27694 0.07509 122 3PZ -0.25786 0.08643 0.09190 -0.17417 -0.23295 123 4XX 0.01776 0.03251 0.00948 0.00139 -0.04844 124 4YY -0.00183 0.04881 -0.00452 -0.00921 -0.02340 125 4ZZ -0.03096 -0.04387 -0.01450 0.01690 0.05305 126 4XY 0.00476 0.02495 0.00662 -0.01106 0.03053 127 4XZ 0.00640 -0.06070 -0.00503 0.01926 -0.02583 128 4YZ 0.01708 -0.09326 -0.00049 0.03598 0.06466 129 13 C 1S 0.00787 0.00179 -0.00038 0.00449 -0.00757 130 2S 0.10853 0.30125 0.00409 0.02693 -0.13533 131 2PX 0.05113 0.13016 0.00560 0.11839 0.08248 132 2PY 0.00834 -0.01759 -0.04178 -0.05594 -0.02279 133 2PZ -0.03555 -0.17459 0.06268 0.13859 0.18878 134 3S -0.60058 -1.23021 0.09767 -0.30904 0.71199 135 3PX -0.08919 0.17920 0.07238 -0.32686 -0.46126 136 3PY -0.06793 0.11226 0.38080 0.27669 -0.07540 137 3PZ 0.25789 0.08654 -0.09186 -0.17441 -0.23291 138 4XX -0.01776 0.03251 -0.00948 0.00147 -0.04856 139 4YY 0.00184 0.04879 0.00451 -0.00920 -0.02341 140 4ZZ 0.03096 -0.04385 0.01451 0.01685 0.05308 141 4XY 0.00477 -0.02494 0.00664 0.01106 -0.03055 142 4XZ -0.00641 -0.06071 0.00505 0.01926 -0.02584 143 4YZ 0.01707 0.09326 -0.00054 -0.03597 -0.06466 144 14 C 1S 0.00565 -0.00337 0.01649 0.00761 0.00631 145 2S 0.48257 -0.25515 0.05863 0.61530 0.39114 146 2PX -0.10996 0.03874 0.11554 -0.14484 -0.00051 147 2PY -0.04358 0.00365 -0.04981 -0.02599 -0.04893 148 2PZ 0.08678 0.12291 0.12832 0.13263 0.02106 149 3S -1.94279 0.18300 -0.89673 -2.10004 -1.58421 150 3PX 0.27135 0.33424 0.10009 0.46144 -0.15631 151 3PY 0.15692 0.67660 -0.28468 -0.41964 -0.55249 152 3PZ -1.00296 -0.89439 -0.71259 -1.01370 -0.01926 153 4XX -0.01339 -0.09737 0.04947 0.03111 0.08619 154 4YY 0.08135 0.08020 -0.01173 0.03445 -0.00409 155 4ZZ -0.02777 -0.01444 -0.01839 -0.02000 -0.03878 156 4XY 0.02207 0.03288 -0.01680 -0.00428 0.06998 157 4XZ -0.02107 0.03607 0.00034 -0.03607 -0.01498 158 4YZ 0.00760 -0.04068 -0.00559 0.01067 0.01085 159 15 C 1S 0.01225 -0.01782 -0.00088 -0.01792 -0.01860 160 2S 0.25304 -0.46982 -0.26342 -0.57015 -0.57842 161 2PX -0.10732 0.18209 0.03424 -0.01033 -0.01580 162 2PY 0.17233 0.19596 -0.00229 0.03416 -0.08311 163 2PZ 0.16641 0.01384 0.00168 0.08444 0.13574 164 3S -0.94594 1.63435 1.27512 2.13109 1.08145 165 3PX 0.47126 -0.43245 0.22187 0.13328 0.18741 166 3PY -1.85590 -1.08521 -0.14317 -0.46782 0.22616 167 3PZ -1.14234 0.23109 -0.57188 -0.77005 -0.74490 168 4XX -0.01241 0.01705 -0.00578 0.01738 0.06976 169 4YY -0.01804 -0.01082 -0.00343 -0.08732 -0.09304 170 4ZZ 0.06833 -0.06250 0.00051 0.00415 -0.03702 171 4XY 0.00524 -0.08431 -0.00267 0.00969 0.08909 172 4XZ -0.02142 0.00014 0.01907 0.01589 -0.02449 173 4YZ -0.00003 0.00550 0.00299 0.06784 0.03638 174 16 H 1S -0.04800 -0.31569 -0.05799 0.01474 0.11972 175 2S -0.16481 -0.57633 0.00098 -0.07575 0.11649 176 17 H 1S -0.12900 0.35150 0.02053 -0.06636 -0.18980 177 2S -0.19423 -0.08076 -0.07428 0.23486 0.12628 178 18 H 1S -0.11748 -0.15199 -0.03943 0.04299 -0.02155 179 2S -0.05269 0.45540 0.05968 -0.12365 -0.38494 180 19 H 1S 0.11744 -0.15190 0.03946 0.04291 -0.02159 181 2S 0.05278 0.45519 -0.05981 -0.12344 -0.38545 182 20 H 1S 0.12901 0.35147 -0.02065 -0.06621 -0.18979 183 2S 0.19421 -0.08081 0.07435 0.23500 0.12647 184 21 H 1S 0.04802 -0.31567 0.05811 0.01446 0.12026 185 2S 0.16481 -0.57628 -0.00084 -0.07592 0.11696 186 22 H 1S 0.00978 -0.14388 0.03361 0.06466 0.01704 187 2S -0.17969 0.22756 -0.11811 0.28418 0.22274 188 23 H 1S -0.00982 -0.14391 -0.03357 0.06493 0.01660 189 2S 0.17973 0.22761 0.11806 0.28459 0.22200 111 112 113 114 115 V V V V V Eigenvalues -- 1.14032 1.14811 1.19961 1.20298 1.25152 1 1 C 1S -0.00517 0.01875 0.00865 -0.00220 0.01885 2 2S 0.36931 0.18767 0.42713 -0.15197 0.48297 3 2PX 0.17546 0.01014 0.16610 -0.05994 0.21604 4 2PY 0.20101 0.00330 0.01930 0.12788 -0.09730 5 2PZ -0.08622 0.00366 -0.07469 -0.13145 -0.01919 6 3S -1.25865 0.01802 -1.11430 -0.60816 -0.80870 7 3PX -0.78898 -0.43486 0.21559 0.25480 -0.69477 8 3PY -0.93712 -0.09651 0.00157 -0.78061 0.39689 9 3PZ 1.11310 0.10314 -0.26479 0.28536 0.27148 10 4XX -0.04989 0.04591 0.02242 -0.01355 0.10472 11 4YY 0.00072 0.00136 0.08778 -0.00866 0.00859 12 4ZZ 0.06034 0.03081 -0.11421 -0.01116 -0.03673 13 4XY -0.00069 -0.06570 -0.11798 0.02209 0.03193 14 4XZ -0.03230 -0.00406 -0.05402 0.05159 0.01885 15 4YZ 0.05437 -0.11569 0.00880 0.02849 0.08205 16 2 C 1S 0.00519 0.01875 0.00864 0.00225 0.01885 17 2S -0.36900 0.18760 0.42617 0.15388 0.48293 18 2PX -0.17543 0.01016 0.16577 0.06066 0.21600 19 2PY 0.20087 -0.00327 -0.01978 0.12771 0.09727 20 2PZ 0.08628 0.00368 -0.07527 0.13113 -0.01920 21 3S 1.25878 0.01845 -1.11577 0.60312 -0.80891 22 3PX 0.78914 -0.43491 0.21667 -0.25373 -0.69461 23 3PY -0.93623 0.09622 0.00135 -0.78047 -0.39663 24 3PZ -1.11330 0.10304 -0.26350 -0.28668 0.27145 25 4XX 0.04995 0.04590 0.02238 0.01367 0.10474 26 4YY -0.00068 0.00135 0.08774 0.00906 0.00860 27 4ZZ -0.06039 0.03083 -0.11427 0.01062 -0.03677 28 4XY -0.00076 0.06570 0.11788 0.02259 -0.03193 29 4XZ 0.03232 -0.00405 -0.05377 -0.05179 0.01886 30 4YZ 0.05450 0.11570 -0.00888 0.02844 -0.08204 31 3 C 1S -0.00005 0.00539 -0.03740 -0.00009 0.03727 32 2S -0.00083 0.08097 -0.59437 -0.00148 0.59550 33 2PX 0.00001 0.04537 -0.08261 -0.00020 -0.02466 34 2PY 0.08545 0.00001 -0.00012 0.05380 -0.00001 35 2PZ -0.00005 -0.04810 0.14549 0.00030 -0.07808 36 3S 0.00155 -0.28475 1.68957 0.00407 -1.71772 37 3PX -0.00005 -0.17353 -0.16493 -0.00030 -0.00847 38 3PY -0.01206 0.00006 0.00059 -0.28557 -0.00003 39 3PZ 0.00019 -0.44300 -0.52661 -0.00103 0.40246 40 4XX -0.00019 -0.12848 0.07267 0.00014 0.05270 41 4YY -0.00003 0.02212 -0.06310 -0.00014 -0.03782 42 4ZZ 0.00002 0.09974 -0.04304 -0.00010 0.04174 43 4XY 0.06629 0.00000 0.00004 -0.01341 0.00000 44 4XZ 0.00014 -0.03802 -0.13927 -0.00027 -0.00371 45 4YZ 0.02376 0.00000 0.00001 -0.00208 0.00000 46 4 O 1S 0.00894 0.01451 -0.01741 -0.00159 -0.00470 47 2S 0.11368 0.20086 -0.30312 -0.06073 0.07030 48 2PX -0.03280 -0.04152 -0.33886 -0.15553 0.16411 49 2PY -0.19473 -0.02506 -0.04963 -0.05768 0.05316 50 2PZ 0.02547 -0.47678 -0.02103 0.03022 -0.05148 51 3S -0.70732 -0.59143 0.72202 -0.02766 0.08748 52 3PX -0.18294 -0.04978 0.88079 0.27562 -0.39529 53 3PY 0.34271 -0.01295 0.07863 0.17346 -0.05104 54 3PZ 0.03602 0.90221 -0.09596 -0.13742 0.15833 55 4XX 0.07132 0.10882 -0.13992 -0.02814 -0.05573 56 4YY 0.02401 0.02563 -0.03881 -0.02724 0.05011 57 4ZZ 0.02299 0.04182 -0.07905 0.01856 0.02731 58 4XY 0.01224 -0.05386 0.00803 -0.02300 0.00479 59 4XZ 0.04921 -0.00475 0.04088 0.03547 -0.03435 60 4YZ 0.01641 -0.09885 -0.05329 0.03876 -0.03915 61 5 H 1S 0.34199 0.03377 -0.18007 0.03831 0.08918 62 2S 0.10165 0.12929 0.29919 -0.13534 0.52855 63 6 H 1S -0.34222 0.03375 -0.17996 -0.03909 0.08915 64 2S -0.10161 0.12928 0.29864 0.13664 0.52850 65 7 H 1S -0.00006 -0.07460 -0.30367 -0.00068 0.18729 66 2S -0.00036 0.00471 -0.38831 -0.00088 0.39037 67 8 O 1S -0.00892 0.01451 -0.01742 0.00151 -0.00470 68 2S -0.11327 0.20090 -0.30336 0.05941 0.07026 69 2PX 0.03325 -0.04155 -0.33950 0.15411 0.16411 70 2PY -0.19416 0.02509 0.04987 -0.05737 -0.05314 71 2PZ -0.02543 -0.47680 -0.02096 -0.03021 -0.05147 72 3S 0.70609 -0.59154 0.72178 0.03079 0.08758 73 3PX 0.18229 -0.04970 0.88186 -0.27179 -0.39531 74 3PY 0.34183 0.01292 -0.07931 0.17294 0.05094 75 3PZ -0.03606 0.90225 -0.09643 0.13678 0.15831 76 4XX -0.07108 0.10883 -0.14005 0.02754 -0.05576 77 4YY -0.02414 0.02562 -0.03895 0.02702 0.05009 78 4ZZ -0.02271 0.04184 -0.07894 -0.01884 0.02733 79 4XY 0.01223 0.05387 -0.00793 -0.02303 -0.00479 80 4XZ -0.04922 -0.00475 0.04104 -0.03529 -0.03435 81 4YZ 0.01636 0.09886 0.05313 0.03897 0.03914 82 9 H 1S -0.00007 0.20206 -0.14656 -0.00037 0.08963 83 2S -0.00048 -0.00245 -0.04596 -0.00022 0.07194 84 10 C 1S 0.00071 0.01035 -0.00798 0.01082 0.00994 85 2S 0.11874 0.38204 -0.00557 0.34137 0.07699 86 2PX -0.04026 -0.06509 -0.01429 0.12721 0.09266 87 2PY 0.04184 0.05387 -0.03233 -0.07566 -0.02304 88 2PZ 0.00628 0.00921 -0.02471 -0.15381 -0.07792 89 3S -0.76847 -1.15587 0.17724 0.04099 -0.64618 90 3PX 0.52592 -0.06407 -0.13876 -0.26846 -0.17589 91 3PY -0.21103 -0.16317 0.30252 -0.73586 -0.15644 92 3PZ -0.72425 0.39724 0.20511 0.98728 0.52302 93 4XX 0.04360 -0.01568 -0.00042 -0.03706 -0.03393 94 4YY 0.00496 0.04670 0.01632 0.01108 0.04268 95 4ZZ -0.02907 0.01739 -0.03803 0.06231 0.01587 96 4XY -0.02946 0.05039 0.01027 -0.01461 -0.14150 97 4XZ -0.05653 -0.00729 -0.07832 0.00904 -0.02794 98 4YZ 0.04876 0.05237 -0.00942 -0.03761 -0.00606 99 11 C 1S 0.00035 -0.03051 0.00078 -0.01807 -0.02268 100 2S -0.48304 -0.55134 0.17814 -0.14750 -0.44881 101 2PX 0.09376 -0.03410 -0.12386 0.06326 0.09822 102 2PY 0.23619 0.11100 0.13043 -0.37758 -0.02469 103 2PZ -0.07291 0.00466 -0.05135 0.04320 0.00611 104 3S 0.31031 2.12511 -0.58764 1.70736 0.84825 105 3PX -0.57918 0.31711 0.05801 -0.53615 -0.73353 106 3PY -0.44765 -0.55848 -0.57525 1.78677 0.18564 107 3PZ 0.25046 -0.07817 0.14784 -0.07549 0.55800 108 4XX 0.05150 -0.02268 -0.10518 0.06257 -0.02824 109 4YY -0.04501 -0.03281 0.08704 -0.13576 -0.00651 110 4ZZ -0.04516 -0.00930 0.01616 0.02796 -0.03850 111 4XY -0.04816 0.02074 -0.06521 0.00063 0.01035 112 4XZ 0.07618 0.04123 0.01842 -0.07257 -0.04160 113 4YZ -0.02987 -0.00382 0.00214 -0.06609 -0.02953 114 12 C 1S -0.03032 0.02183 -0.02571 -0.01290 -0.04970 115 2S -0.35278 0.37183 -0.41293 -0.15055 -1.01092 116 2PX -0.15325 0.12456 0.10131 -0.16832 0.18917 117 2PY 0.00295 0.04698 0.01555 -0.05185 0.10148 118 2PZ -0.02849 -0.01098 -0.02787 0.01972 -0.03553 119 3S 1.22171 -1.52754 0.95226 1.46700 2.07874 120 3PX 0.84543 0.03217 -0.07969 0.71330 -0.42287 121 3PY 0.28621 -0.37114 0.32330 -1.10911 0.20729 122 3PZ 0.19178 -0.30367 -0.09618 0.40847 0.15211 123 4XX -0.08627 0.00658 0.00593 -0.07624 -0.05028 124 4YY -0.01135 0.03134 -0.03845 0.01720 -0.08257 125 4ZZ 0.04037 0.02225 -0.03368 0.04576 -0.02758 126 4XY 0.01951 0.07476 0.03763 -0.05582 -0.01033 127 4XZ 0.00159 0.01790 -0.08419 -0.00415 0.03986 128 4YZ -0.01197 -0.01889 -0.10145 0.04619 0.05643 129 13 C 1S 0.03030 0.02184 -0.02575 0.01277 -0.04971 130 2S 0.35254 0.37188 -0.41352 0.14845 -1.01095 131 2PX 0.15325 0.12459 0.10061 0.16872 0.18915 132 2PY 0.00301 -0.04698 -0.01531 -0.05188 -0.10145 133 2PZ 0.02869 -0.01101 -0.02782 -0.01993 -0.03552 134 3S -1.22030 -1.52796 0.95825 -1.46210 2.07905 135 3PX -0.84585 0.03213 -0.07658 -0.71333 -0.42267 136 3PY 0.28574 0.37103 -0.31840 -1.11076 -0.20719 137 3PZ -0.19203 -0.30371 -0.09427 -0.40881 0.15214 138 4XX 0.08619 0.00660 0.00563 0.07625 -0.05031 139 4YY 0.01134 0.03132 -0.03840 -0.01741 -0.08256 140 4ZZ -0.04031 0.02226 -0.03347 -0.04589 -0.02757 141 4XY 0.01950 -0.07478 -0.03737 -0.05598 0.01035 142 4XZ -0.00159 0.01788 -0.08422 0.00380 0.03986 143 4YZ -0.01206 0.01890 0.10124 0.04661 -0.05643 144 14 C 1S -0.00035 -0.03050 0.00070 0.01807 -0.02269 145 2S 0.48299 -0.55129 0.17773 0.14817 -0.44886 146 2PX -0.09360 -0.03408 -0.12363 -0.06369 0.09821 147 2PY 0.23618 -0.11105 -0.12871 -0.37816 0.02473 148 2PZ 0.07289 0.00466 -0.05113 -0.04347 0.00610 149 3S -0.31056 2.12483 -0.58030 -1.70983 0.84828 150 3PX 0.57848 0.31727 0.05582 0.53596 -0.73368 151 3PY -0.44810 0.55886 0.56756 1.78956 -0.18615 152 3PZ -0.24956 -0.07820 0.14742 0.07660 0.55783 153 4XX -0.05138 -0.02268 -0.10495 -0.06303 -0.02822 154 4YY 0.04496 -0.03279 0.08648 0.13618 -0.00655 155 4ZZ 0.04509 -0.00930 0.01630 -0.02794 -0.03850 156 4XY -0.04808 -0.02074 0.06517 0.00086 -0.01032 157 4XZ -0.07620 0.04124 0.01808 0.07263 -0.04161 158 4YZ -0.02987 0.00380 -0.00186 -0.06606 0.02955 159 15 C 1S -0.00072 0.01034 -0.00794 -0.01085 0.00994 160 2S -0.11902 0.38178 -0.00421 -0.34129 0.07698 161 2PX 0.04023 -0.06508 -0.01369 -0.12724 0.09265 162 2PY 0.04170 -0.05388 0.03268 -0.07552 0.02307 163 2PZ -0.00614 0.00922 -0.02539 0.15367 -0.07791 164 3S 0.76791 -1.15520 0.17779 -0.04049 -0.64583 165 3PX -0.52568 -0.06420 -0.14034 0.26784 -0.17568 166 3PY -0.21035 0.16299 -0.29964 -0.73711 0.15655 167 3PZ 0.72383 0.39728 0.20997 -0.98623 0.52272 168 4XX -0.04353 -0.01567 -0.00059 0.03701 -0.03394 169 4YY -0.00503 0.04671 0.01636 -0.01097 0.04269 170 4ZZ 0.02906 0.01734 -0.03775 -0.06247 0.01587 171 4XY -0.02933 -0.05039 -0.01021 -0.01462 0.14151 172 4XZ 0.05651 -0.00728 -0.07825 -0.00934 -0.02793 173 4YZ 0.04874 -0.05236 0.00963 -0.03757 0.00606 174 16 H 1S 0.37004 -0.07063 -0.13083 -0.06622 -0.01876 175 2S 0.32768 0.13685 -0.18560 -0.21688 -0.26608 176 17 H 1S 0.02292 -0.10242 0.11605 -0.54222 -0.11332 177 2S 0.16258 0.03419 0.28058 -0.85202 -0.30908 178 18 H 1S -0.00737 0.05979 -0.11879 0.16900 -0.16699 179 2S -0.29455 0.16152 -0.32639 0.08954 -0.35627 180 19 H 1S 0.00730 0.05976 -0.11800 -0.16954 -0.16696 181 2S 0.29404 0.16152 -0.32584 -0.09097 -0.35626 182 20 H 1S -0.02310 -0.10230 0.11372 0.54281 -0.11343 183 2S -0.16274 0.03434 0.27693 0.85326 -0.30922 184 21 H 1S -0.36984 -0.07071 -0.13137 0.06558 -0.01867 185 2S -0.32738 0.13670 -0.18686 0.21599 -0.26597 186 22 H 1S -0.29794 0.06892 -0.17829 -0.11497 -0.17677 187 2S -0.48386 0.29180 -0.06855 -0.24750 -0.14674 188 23 H 1S 0.29792 0.06894 -0.17876 0.11410 -0.17683 189 2S 0.48392 0.29185 -0.06955 0.24693 -0.14681 116 117 118 119 120 V V V V V Eigenvalues -- 1.28997 1.31432 1.32933 1.39992 1.41503 1 1 C 1S -0.02562 -0.00957 -0.00970 -0.00082 0.01112 2 2S -0.35278 0.21757 -0.22769 -0.05517 0.43061 3 2PX 0.03963 0.04217 -0.06773 -0.08530 0.15584 4 2PY 0.01679 0.00710 0.03188 0.04335 -0.06700 5 2PZ -0.11210 0.13182 -0.10998 0.07889 0.05172 6 3S 1.89836 -0.80583 0.30289 0.12098 -1.17195 7 3PX -0.59198 0.81561 -0.07470 0.22858 -0.18343 8 3PY 1.30746 0.56448 -0.00430 -0.15229 -0.37627 9 3PZ 0.67971 -1.35624 0.26547 -0.22014 -0.28007 10 4XX -0.12561 -0.07898 -0.15448 0.20374 -0.06912 11 4YY 0.01034 0.00529 0.00759 0.02280 -0.01300 12 4ZZ 0.09128 0.00619 0.08739 -0.24572 0.08027 13 4XY -0.02490 -0.01114 0.24784 0.05568 0.02230 14 4XZ 0.04606 0.02117 0.11900 0.01121 -0.06156 15 4YZ -0.00479 -0.00068 0.02428 0.07457 0.00710 16 2 C 1S 0.02562 0.00957 -0.00971 -0.00082 -0.01112 17 2S 0.35273 -0.21757 -0.22793 -0.05520 -0.43056 18 2PX -0.03966 -0.04215 -0.06775 -0.08529 -0.15581 19 2PY 0.01676 0.00716 -0.03191 -0.04339 -0.06701 20 2PZ 0.11206 -0.13177 -0.11015 0.07882 -0.05168 21 3S -1.89823 0.80597 0.30363 0.12092 1.17175 22 3PX 0.59196 -0.81569 -0.07532 0.22846 0.18355 23 3PY 1.30764 0.56428 0.00440 0.15254 -0.37631 24 3PZ -0.67956 1.35629 0.26666 -0.21975 0.27991 25 4XX 0.12555 0.07905 -0.15447 0.20375 0.06903 26 4YY -0.01033 -0.00533 0.00758 0.02281 0.01301 27 4ZZ -0.09127 -0.00618 0.08741 -0.24573 -0.08020 28 4XY -0.02490 -0.01105 -0.24785 -0.05568 0.02244 29 4XZ -0.04605 -0.02121 0.11899 0.01121 0.06150 30 4YZ -0.00474 -0.00069 -0.02430 -0.07455 0.00722 31 3 C 1S -0.00001 0.00001 -0.02262 -0.01887 0.00000 32 2S -0.00015 0.00025 -0.45097 -0.20944 -0.00004 33 2PX 0.00003 -0.00003 0.11652 0.01169 -0.00001 34 2PY -0.06308 -0.20287 -0.00006 -0.00003 0.01398 35 2PZ 0.00001 -0.00003 0.00354 0.00147 0.00000 36 3S 0.00050 -0.00085 1.47788 0.84460 0.00014 37 3PX -0.00003 0.00004 -0.16317 0.00635 0.00009 38 3PY -0.55350 -1.22031 -0.00026 -0.00012 0.18479 39 3PZ -0.00022 0.00012 -0.36981 -0.17743 0.00009 40 4XX -0.00004 0.00007 -0.23555 0.00780 0.00002 41 4YY 0.00001 -0.00006 0.17132 -0.04018 0.00000 42 4ZZ 0.00001 0.00001 0.03100 0.03386 -0.00003 43 4XY -0.03111 -0.13708 -0.00006 -0.00001 0.02983 44 4XZ -0.00001 -0.00003 0.13751 -0.10838 0.00001 45 4YZ 0.13787 0.15998 0.00001 0.00001 -0.02511 46 4 O 1S 0.01587 0.00316 0.02312 0.00412 -0.00570 47 2S 0.08203 0.05078 0.16115 0.02991 -0.03202 48 2PX -0.29760 -0.40069 -0.13404 -0.09174 0.05712 49 2PY 0.01111 0.20431 -0.03461 -0.00213 -0.00033 50 2PZ -0.07458 0.22293 -0.06889 -0.01145 -0.00971 51 3S -0.80812 0.25229 -0.83290 -0.12456 0.28201 52 3PX 0.54031 1.41956 0.30904 0.27712 -0.10530 53 3PY -0.26432 -0.56988 -0.09586 -0.04477 0.07875 54 3PZ 0.05228 -0.70402 0.10774 0.09008 0.02535 55 4XX 0.09919 0.02076 0.20350 -0.15976 0.04821 56 4YY 0.03545 0.10556 -0.14802 0.01986 -0.02456 57 4ZZ -0.03100 -0.08115 0.14089 0.16707 -0.06211 58 4XY -0.07210 -0.05402 -0.10630 -0.07786 0.06249 59 4XZ 0.09989 -0.01064 0.03842 -0.05983 -0.01871 60 4YZ -0.03432 -0.00584 0.09222 -0.11415 0.03442 61 5 H 1S 0.19123 -0.11308 0.10657 -0.01375 -0.02719 62 2S 0.28874 -0.20173 0.01894 -0.17490 -0.02195 63 6 H 1S -0.19124 0.11303 0.10675 -0.01371 0.02720 64 2S -0.28877 0.20170 0.01917 -0.17484 0.02189 65 7 H 1S -0.00006 0.00009 -0.15798 -0.12180 0.00001 66 2S -0.00013 0.00019 -0.42775 -0.09756 0.00002 67 8 O 1S -0.01586 -0.00317 0.02312 0.00411 0.00570 68 2S -0.08195 -0.05086 0.16103 0.02981 0.03197 69 2PX 0.29748 0.40083 -0.13394 -0.09169 -0.05711 70 2PY 0.01112 0.20432 0.03476 0.00220 -0.00034 71 2PZ 0.07448 -0.22288 -0.06903 -0.01149 0.00979 72 3S 0.80771 -0.25181 -0.83311 -0.12442 -0.28187 73 3PX -0.54003 -1.41998 0.30843 0.27688 0.10533 74 3PY -0.26425 -0.57007 0.09551 0.04458 0.07878 75 3PZ -0.05213 0.70396 0.10813 0.09018 -0.02560 76 4XX -0.09910 -0.02086 0.20349 -0.15979 -0.04816 77 4YY -0.03547 -0.10548 -0.14809 0.01979 0.02458 78 4ZZ 0.03102 0.08106 0.14089 0.16709 0.06200 79 4XY -0.07205 -0.05409 0.10631 0.07785 0.06243 80 4XZ -0.09988 0.01062 0.03851 -0.05980 0.01875 81 4YZ -0.03433 -0.00583 -0.09224 0.11411 0.03437 82 9 H 1S 0.00000 0.00003 -0.00088 -0.07497 -0.00003 83 2S -0.00002 0.00007 -0.13072 -0.10659 -0.00003 84 10 C 1S -0.03117 0.02922 0.00910 -0.00353 0.04953 85 2S -0.67339 0.56120 0.32350 0.03822 0.90291 86 2PX 0.18855 -0.05156 -0.03624 0.05439 0.12239 87 2PY 0.03635 0.05322 -0.07034 -0.06910 0.02594 88 2PZ -0.04534 -0.00427 -0.09303 0.00736 -0.07043 89 3S 1.59956 -2.60008 -0.33692 0.50607 -5.14103 90 3PX -1.06437 0.21031 -0.00234 -0.16945 -1.04394 91 3PY 0.11336 -0.12648 0.20148 0.53756 2.77053 92 3PZ 1.10872 0.28814 0.31215 0.09247 2.23190 93 4XX 0.05953 0.00907 -0.14624 -0.06646 -0.11376 94 4YY -0.01020 0.01263 0.05377 -0.02261 -0.01071 95 4ZZ -0.11226 0.03846 0.07487 0.10902 0.15342 96 4XY -0.00793 0.00972 0.00623 -0.10966 0.02346 97 4XZ 0.04929 -0.01284 0.05170 0.19406 0.16032 98 4YZ -0.04929 0.04449 -0.02238 -0.00903 0.02014 99 11 C 1S 0.00268 0.00523 0.01337 0.00486 0.00688 100 2S 0.03683 -0.26602 0.15232 0.06327 -0.12595 101 2PX 0.00627 0.11123 -0.03431 -0.01705 0.01388 102 2PY 0.04648 0.05504 -0.02070 0.03423 0.07724 103 2PZ 0.03070 -0.07825 -0.00741 0.02824 0.19219 104 3S 0.03313 0.98441 -0.49578 -0.11514 2.03359 105 3PX 0.15710 -0.18324 -0.03388 0.40227 0.52296 106 3PY -0.85800 -0.42934 -0.16381 -0.50372 -1.92288 107 3PZ -0.02073 0.94154 0.21981 -0.51222 -0.42097 108 4XX 0.02097 -0.00187 -0.06973 0.17009 0.04000 109 4YY 0.03073 0.01253 0.03483 0.02001 0.10293 110 4ZZ -0.03154 0.01546 0.02080 -0.18126 -0.09077 111 4XY -0.07053 0.04541 0.09550 0.10131 0.21608 112 4XZ 0.01306 0.04329 -0.06414 -0.11986 -0.06575 113 4YZ 0.02542 0.02121 -0.02055 -0.05692 -0.04072 114 12 C 1S -0.00227 0.01045 -0.02366 0.01802 0.01164 115 2S -0.15639 0.22417 -0.47484 0.19953 0.13364 116 2PX -0.01326 0.05939 0.04666 -0.11347 -0.05489 117 2PY -0.01824 -0.01182 0.04040 -0.04612 -0.00472 118 2PZ -0.13753 0.03578 -0.06033 -0.09415 -0.16673 119 3S -0.07632 -0.78879 0.98300 -0.80043 -1.66483 120 3PX 0.33967 -0.60502 -0.12102 0.40281 1.03497 121 3PY 0.33728 0.56061 0.15491 -0.11249 0.09468 122 3PZ 0.32135 -0.25691 0.20534 0.07667 0.34452 123 4XX -0.05253 0.05320 0.02885 -0.14508 -0.08982 124 4YY -0.01897 0.00320 -0.02688 0.03312 0.00987 125 4ZZ 0.04478 -0.04359 -0.05755 0.12909 0.07458 126 4XY 0.03371 0.02312 -0.08174 0.06339 0.02824 127 4XZ -0.02048 0.01879 0.06611 0.05454 0.08540 128 4YZ -0.01576 0.00524 0.02221 0.16984 0.04784 129 13 C 1S 0.00227 -0.01043 -0.02368 0.01803 -0.01165 130 2S 0.15624 -0.22379 -0.47511 0.19967 -0.13368 131 2PX 0.01328 -0.05943 0.04657 -0.11350 0.05488 132 2PY -0.01826 -0.01180 -0.04038 0.04612 -0.00471 133 2PZ 0.13751 -0.03571 -0.06039 -0.09416 0.16669 134 3S 0.07661 0.78814 0.98412 -0.80085 1.66478 135 3PX -0.33970 0.60494 -0.12043 0.40310 -1.03480 136 3PY 0.33717 0.56078 -0.15451 0.11275 0.09449 137 3PZ -0.32135 0.25686 0.20573 0.07684 -0.34462 138 4XX 0.05253 -0.05318 0.02874 -0.14510 0.08974 139 4YY 0.01897 -0.00318 -0.02687 0.03315 -0.00990 140 4ZZ -0.04479 0.04360 -0.05748 0.12910 -0.07446 141 4XY 0.03373 0.02311 0.08176 -0.06338 0.02813 142 4XZ 0.02051 -0.01884 0.06611 0.05453 -0.08536 143 4YZ -0.01574 0.00527 -0.02220 -0.16986 0.04776 144 14 C 1S -0.00268 -0.00523 0.01337 0.00485 -0.00688 145 2S -0.03681 0.26595 0.15240 0.06326 0.12599 146 2PX -0.00631 -0.11121 -0.03434 -0.01704 -0.01391 147 2PY 0.04645 0.05505 0.02076 -0.03417 0.07718 148 2PZ -0.03071 0.07824 -0.00737 0.02825 -0.19216 149 3S -0.03305 -0.98408 -0.49644 -0.11495 -2.03385 150 3PX -0.15702 0.18328 -0.03403 0.40231 -0.52280 151 3PY -0.85769 -0.42957 0.16321 0.50357 -1.92240 152 3PZ 0.02080 -0.94160 0.21925 -0.51250 0.42036 153 4XX -0.02099 0.00190 -0.06966 0.17012 -0.03994 154 4YY -0.03072 -0.01259 0.03476 0.01996 -0.10286 155 4ZZ 0.03155 -0.01541 0.02077 -0.18124 0.09065 156 4XY -0.07056 0.04549 -0.09540 -0.10126 0.21611 157 4XZ -0.01309 -0.04322 -0.06419 -0.11988 0.06580 158 4YZ 0.02542 0.02119 0.02058 0.05697 -0.04070 159 15 C 1S 0.03118 -0.02923 0.00907 -0.00353 -0.04954 160 2S 0.67362 -0.56140 0.32288 0.03812 -0.90294 161 2PX -0.18859 0.05155 -0.03615 0.05442 -0.12233 162 2PY 0.03635 0.05314 0.07038 0.06913 0.02598 163 2PZ 0.04532 0.00431 -0.09303 0.00735 0.07045 164 3S -1.60007 2.60014 -0.33416 0.50669 5.14140 165 3PX 1.06436 -0.21024 -0.00252 -0.16953 1.04371 166 3PY 0.11357 -0.12607 -0.20115 -0.53761 2.77053 167 3PZ -1.10848 -0.28846 0.31190 0.09238 -2.23131 168 4XX -0.05961 -0.00895 -0.14621 -0.06646 0.11372 169 4YY 0.01025 -0.01269 0.05375 -0.02261 0.01069 170 4ZZ 0.11230 -0.03853 0.07481 0.10901 -0.15336 171 4XY -0.00797 0.00973 -0.00622 0.10963 0.02337 172 4XZ -0.04926 0.01276 0.05171 0.19408 -0.16026 173 4YZ -0.04933 0.04450 0.02242 0.00902 0.02009 174 16 H 1S -0.44732 0.19598 -0.05014 -0.14886 -0.38546 175 2S -0.73901 0.30847 -0.06918 -0.15486 -0.72773 176 17 H 1S 0.23823 0.03845 0.16174 0.15252 0.25633 177 2S 0.29062 -0.01337 0.04430 0.21547 0.48504 178 18 H 1S 0.02921 -0.07099 -0.08841 0.10197 0.19931 179 2S 0.03007 0.04836 -0.03598 0.18953 0.32906 180 19 H 1S -0.02927 0.07105 -0.08836 0.10206 -0.19935 181 2S -0.03013 -0.04831 -0.03600 0.18965 -0.32910 182 20 H 1S -0.23816 -0.03860 0.16168 0.15244 -0.25624 183 2S -0.29050 0.01325 0.04417 0.21536 -0.48475 184 21 H 1S 0.44728 -0.19586 -0.05027 -0.14891 0.38532 185 2S 0.73904 -0.30835 -0.06945 -0.15497 0.72759 186 22 H 1S -0.08409 0.14724 -0.10319 0.09532 -0.10443 187 2S -0.22152 0.20803 -0.16650 -0.15183 -0.24701 188 23 H 1S 0.08405 -0.14715 -0.10334 0.09532 0.10439 189 2S 0.22146 -0.20787 -0.16681 -0.15184 0.24694 121 122 123 124 125 V V V V V Eigenvalues -- 1.44140 1.46298 1.48673 1.53314 1.56387 1 1 C 1S 0.00938 0.01923 -0.00278 0.01315 0.01254 2 2S 0.16051 0.27597 -0.12749 0.33376 -0.03134 3 2PX 0.10324 0.06933 -0.01679 0.10650 -0.04723 4 2PY 0.01881 0.00382 0.04226 -0.03985 0.00253 5 2PZ 0.07023 0.06908 -0.05208 0.06976 0.04358 6 3S -0.41349 -0.81541 1.20689 -0.77899 0.89613 7 3PX -0.04831 0.02187 -0.33412 -0.07990 -1.05678 8 3PY 0.07476 0.27822 0.99042 0.31447 -0.25597 9 3PZ -0.12778 -0.24067 0.70346 -0.15224 0.30047 10 4XX -0.18102 0.01174 -0.06918 0.01372 -0.00235 11 4YY 0.04355 0.05876 0.01656 0.05110 -0.00539 12 4ZZ 0.12285 -0.08186 0.08148 -0.09646 0.08969 13 4XY -0.25744 -0.01954 0.04600 -0.00812 -0.00887 14 4XZ -0.09088 0.02200 0.01314 -0.01934 -0.01460 15 4YZ -0.20779 0.03223 0.03902 0.04747 -0.03632 16 2 C 1S 0.00938 0.01922 0.00278 0.01315 -0.01255 17 2S 0.16062 0.27582 0.12752 0.33373 0.03116 18 2PX 0.10330 0.06927 0.01681 0.10650 0.04722 19 2PY -0.01878 -0.00385 0.04225 0.03985 0.00251 20 2PZ 0.07020 0.06908 0.05211 0.06972 -0.04359 21 3S -0.41390 -0.81494 -1.20676 -0.77883 -0.89551 22 3PX -0.04837 0.02201 0.33408 -0.07988 1.05675 23 3PY -0.07448 -0.27838 0.99061 -0.31479 -0.25562 24 3PZ -0.12774 -0.24068 -0.70340 -0.15206 -0.30038 25 4XX -0.18108 0.01177 0.06923 0.01368 0.00239 26 4YY 0.04353 0.05878 -0.01656 0.05111 0.00538 27 4ZZ 0.12292 -0.08190 -0.08154 -0.09643 -0.08972 28 4XY 0.25743 0.01955 0.04603 0.00811 -0.00884 29 4XZ -0.09088 0.02203 -0.01315 -0.01932 0.01459 30 4YZ 0.20778 -0.03222 0.03903 -0.04746 -0.03626 31 3 C 1S -0.01050 -0.02737 0.00000 -0.02245 0.00001 32 2S -0.19017 -0.35420 0.00002 -0.27264 0.00011 33 2PX -0.00546 0.03564 -0.00001 0.01998 -0.00002 34 2PY -0.00003 0.00001 -0.11156 0.00001 -0.10501 35 2PZ -0.03036 -0.03288 0.00000 -0.03930 0.00000 36 3S 0.72223 1.57213 -0.00012 1.25971 -0.00055 37 3PX 0.29695 0.24151 -0.00001 0.27736 -0.00009 38 3PY -0.00016 0.00005 -0.38355 0.00001 -0.20251 39 3PZ 0.30799 0.08601 -0.00002 0.16469 0.00000 40 4XX 0.03062 -0.01195 0.00002 0.00892 0.00000 41 4YY 0.05456 0.04022 0.00001 0.01872 -0.00003 42 4ZZ -0.08915 -0.02025 -0.00003 -0.01475 0.00003 43 4XY -0.00003 0.00002 -0.23553 0.00003 0.06824 44 4XZ 0.06495 -0.01297 -0.00002 -0.01880 0.00000 45 4YZ 0.00001 0.00001 -0.45729 0.00007 0.21560 46 4 O 1S -0.00034 0.00208 0.02342 0.00646 0.05017 47 2S 0.02725 0.05444 0.35133 0.11975 0.92095 48 2PX 0.00335 -0.07247 -0.02440 -0.02793 0.09157 49 2PY 0.02777 0.06619 0.11360 0.04316 0.15011 50 2PZ 0.10076 0.06323 0.09500 0.06282 -0.11095 51 3S -0.09092 -0.14549 -1.13372 -0.31127 -2.50864 52 3PX 0.10169 0.45845 0.01331 0.28597 -0.39511 53 3PY -0.13768 -0.28361 -0.45110 -0.26317 -0.50067 54 3PZ -0.37367 -0.27395 -0.29529 -0.23721 0.52223 55 4XX 0.16975 -0.02403 0.02041 -0.02800 0.35098 56 4YY 0.02398 -0.00746 0.17641 0.02925 0.34553 57 4ZZ -0.18457 0.07008 0.08363 0.08707 -0.02108 58 4XY 0.06188 -0.05491 0.10325 -0.04252 -0.03620 59 4XZ 0.04300 -0.02504 -0.15572 -0.04487 -0.13258 60 4YZ 0.10341 -0.01746 0.29791 -0.03494 -0.18432 61 5 H 1S 0.06374 0.13118 0.18128 0.10250 -0.01977 62 2S -0.01707 0.03512 0.29912 0.13996 -0.07219 63 6 H 1S 0.06372 0.13119 -0.18132 0.10255 0.01968 64 2S -0.01705 0.03509 -0.29916 0.14012 0.07213 65 7 H 1S 0.02382 -0.11254 0.00001 -0.07450 0.00004 66 2S 0.02665 -0.10813 0.00002 -0.02866 0.00005 67 8 O 1S -0.00035 0.00208 -0.02342 0.00646 -0.05017 68 2S 0.02709 0.05447 -0.35132 0.11972 -0.92099 69 2PX 0.00341 -0.07249 0.02442 -0.02793 -0.09152 70 2PY -0.02773 -0.06621 0.11362 -0.04317 0.15015 71 2PZ 0.10072 0.06325 -0.09501 0.06285 0.11091 72 3S -0.09049 -0.14562 1.13374 -0.31122 2.50876 73 3PX 0.10150 0.45850 -0.01339 0.28598 0.39481 74 3PY 0.13751 0.28372 -0.45120 0.26324 -0.50085 75 3PZ -0.37356 -0.27398 0.29534 -0.23732 -0.52206 76 4XX 0.16976 -0.02406 -0.02046 -0.02803 -0.35099 77 4YY 0.02390 -0.00744 -0.17643 0.02924 -0.34550 78 4ZZ -0.18463 0.07011 -0.08356 0.08708 0.02103 79 4XY -0.06191 0.05493 0.10325 0.04248 -0.03623 80 4XZ 0.04303 -0.02504 0.15570 -0.04488 0.13259 81 4YZ -0.10340 0.01745 0.29795 0.03482 -0.18434 82 9 H 1S -0.08102 -0.15985 0.00000 -0.15857 0.00005 83 2S -0.17371 -0.25744 0.00001 -0.22682 0.00006 84 10 C 1S -0.00270 0.00163 0.00073 0.00375 -0.00230 85 2S -0.00589 -0.17433 0.16645 -0.13243 0.11641 86 2PX 0.07801 -0.07062 -0.03913 0.04425 -0.05910 87 2PY -0.04396 0.08791 -0.00470 0.07030 -0.02252 88 2PZ 0.03102 0.13652 -0.06149 0.19854 -0.01873 89 3S 0.38519 -0.40577 -0.87342 -0.51760 0.51466 90 3PX -0.17666 0.07215 -0.38912 0.20621 0.36324 91 3PY 0.41634 -0.51445 0.28473 -0.59099 -0.27599 92 3PZ 0.14963 -0.20432 0.87023 -0.27040 -0.38673 93 4XX -0.14190 -0.03458 0.01586 -0.09012 -0.08197 94 4YY 0.01132 0.00714 0.00373 -0.06490 -0.00013 95 4ZZ 0.14457 0.02643 -0.04309 0.18482 0.05808 96 4XY -0.04858 -0.24120 0.02037 0.40928 -0.02194 97 4XZ 0.18499 0.06337 -0.10524 0.04768 -0.03189 98 4YZ 0.05614 -0.00900 -0.02361 0.26785 -0.01033 99 11 C 1S -0.01078 -0.04231 -0.00030 -0.01461 0.02192 100 2S -0.09050 -0.48611 0.14066 -0.06226 0.41656 101 2PX 0.03342 0.06893 -0.13451 0.03969 -0.07313 102 2PY 0.08532 -0.04512 0.02389 -0.03546 -0.06148 103 2PZ 0.06332 0.06745 -0.02455 0.01700 -0.04957 104 3S 0.16292 1.73997 0.22142 0.14510 -1.51067 105 3PX 0.13895 0.09197 0.04224 -0.67321 -0.29099 106 3PY -0.35095 0.33592 -0.46210 0.54002 0.83503 107 3PZ -0.42280 -0.09790 0.35572 0.51686 0.25128 108 4XX 0.04853 -0.13949 -0.10991 -0.02557 -0.00831 109 4YY 0.08148 0.01969 0.02671 -0.00022 -0.01446 110 4ZZ -0.14009 0.07052 0.06687 0.01351 -0.00634 111 4XY 0.13845 0.18349 -0.12804 0.03943 -0.08376 112 4XZ -0.10003 -0.10620 0.06122 0.05445 -0.08716 113 4YZ -0.01119 0.16329 -0.02032 -0.03368 -0.07279 114 12 C 1S 0.00348 0.03315 -0.01576 -0.01335 -0.03624 115 2S -0.11506 0.38851 -0.20399 -0.17956 -0.45637 116 2PX 0.07359 0.02904 -0.01028 -0.04530 -0.07831 117 2PY 0.04555 -0.03212 -0.00597 0.05142 -0.04418 118 2PZ -0.06997 0.03209 -0.05653 0.09619 -0.00787 119 3S -0.30005 -1.21885 0.51983 0.88461 2.30593 120 3PX 0.07001 0.05406 0.12688 -0.23105 0.02752 121 3PY -0.16004 -0.32896 0.15351 0.14685 -0.25758 122 3PZ 0.04691 -0.26523 0.23761 0.04800 0.35582 123 4XX -0.05397 0.20154 -0.01897 -0.00384 -0.06812 124 4YY 0.00678 0.03587 -0.01410 0.05403 0.00584 125 4ZZ 0.05482 -0.19890 0.00876 -0.05601 0.03924 126 4XY 0.08469 -0.17019 0.01870 -0.15779 -0.02866 127 4XZ 0.03513 -0.03491 -0.02766 0.13538 -0.05160 128 4YZ 0.06341 -0.19531 -0.03714 0.05816 0.03332 129 13 C 1S 0.00349 0.03314 0.01575 -0.01336 0.03623 130 2S -0.11499 0.38834 0.20395 -0.17970 0.45628 131 2PX 0.07354 0.02908 0.01026 -0.04529 0.07830 132 2PY -0.04553 0.03212 -0.00597 -0.05143 -0.04417 133 2PZ -0.07008 0.03215 0.05657 0.09615 0.00790 134 3S -0.30088 -1.21789 -0.51942 0.88493 -2.30540 135 3PX 0.07074 0.05354 -0.12701 -0.23107 -0.02758 136 3PY 0.16024 0.32899 0.15339 -0.14684 -0.25771 137 3PZ 0.04720 -0.26534 -0.23764 0.04793 -0.35583 138 4XX -0.05403 0.20155 0.01901 -0.00391 0.06818 139 4YY 0.00678 0.03586 0.01412 0.05407 -0.00585 140 4ZZ 0.05487 -0.19891 -0.00883 -0.05598 -0.03930 141 4XY -0.08469 0.17022 0.01880 0.15776 -0.02858 142 4XZ 0.03516 -0.03489 0.02769 0.13541 0.05160 143 4YZ -0.06344 0.19536 -0.03710 -0.05815 0.03334 144 14 C 1S -0.01078 -0.04231 0.00030 -0.01461 -0.02190 145 2S -0.09059 -0.48611 -0.14059 -0.06219 -0.41631 146 2PX 0.03343 0.06890 0.13451 0.03964 0.07310 147 2PY -0.08533 0.04513 0.02390 0.03543 -0.06149 148 2PZ 0.06343 0.06738 0.02454 0.01700 0.04954 149 3S 0.16404 1.73953 -0.22162 0.14491 1.50982 150 3PX 0.13925 0.09176 -0.04236 -0.67307 0.29098 151 3PY 0.35180 -0.33643 -0.46219 -0.53992 0.83508 152 3PZ -0.42325 -0.09748 -0.35546 0.51675 -0.25087 153 4XX 0.04860 -0.13950 0.10989 -0.02554 0.00827 154 4YY 0.08149 0.01966 -0.02671 -0.00021 0.01449 155 4ZZ -0.14014 0.07053 -0.06684 0.01347 0.00638 156 4XY -0.13854 -0.18338 -0.12804 -0.03944 -0.08381 157 4XZ -0.10010 -0.10621 -0.06123 0.05440 0.08715 158 4YZ 0.01128 -0.16332 -0.02034 0.03371 -0.07283 159 15 C 1S -0.00268 0.00161 -0.00073 0.00375 0.00230 160 2S -0.00560 -0.17456 -0.16655 -0.13247 -0.11648 161 2PX 0.07812 -0.07068 0.03914 0.04428 0.05909 162 2PY 0.04396 -0.08792 -0.00475 -0.07034 -0.02253 163 2PZ 0.03099 0.13653 0.06156 0.19853 0.01873 164 3S 0.38336 -0.40446 0.87321 -0.51762 -0.51458 165 3PX -0.17729 0.07244 0.38918 0.20601 -0.36318 166 3PY -0.41773 0.51556 0.28517 0.59080 -0.27600 167 3PZ 0.15066 -0.20474 -0.87034 -0.27014 0.38654 168 4XX -0.14195 -0.03455 -0.01584 -0.09010 0.08203 169 4YY 0.01133 0.00716 -0.00375 -0.06485 0.00011 170 4ZZ 0.14462 0.02637 0.04310 0.18475 -0.05812 171 4XY 0.04854 0.24120 0.02027 -0.40928 -0.02193 172 4XZ 0.18510 0.06333 0.10525 0.04766 0.03186 173 4YZ -0.05615 0.00902 -0.02367 -0.26789 -0.01027 174 16 H 1S -0.17112 0.07825 -0.16835 0.07807 0.04454 175 2S -0.16436 0.23261 -0.28840 0.28745 0.17332 176 17 H 1S -0.02400 -0.24026 0.04475 -0.18989 -0.06556 177 2S 0.15822 -0.32274 0.17377 -0.22281 -0.12598 178 18 H 1S 0.02536 0.12225 -0.02464 -0.05446 -0.07917 179 2S 0.06251 0.09208 0.00517 -0.14046 -0.19864 180 19 H 1S 0.02549 0.12215 0.02461 -0.05452 0.07913 181 2S 0.06275 0.09189 -0.00526 -0.14046 0.19854 182 20 H 1S -0.02391 -0.24033 -0.04477 -0.18984 0.06565 183 2S 0.15837 -0.32289 -0.17380 -0.22269 0.12608 184 21 H 1S -0.17136 0.07839 0.16842 0.07799 -0.04449 185 2S -0.16483 0.23286 0.28853 0.28732 -0.17327 186 22 H 1S -0.02730 0.16911 -0.10070 -0.00138 -0.13361 187 2S 0.02033 0.16210 -0.18068 -0.01085 -0.27949 188 23 H 1S -0.02736 0.16914 0.10071 -0.00140 0.13358 189 2S 0.02015 0.16220 0.18067 -0.01090 0.27945 126 127 128 129 130 V V V V V Eigenvalues -- 1.58414 1.62900 1.64403 1.67985 1.73243 1 1 C 1S 0.04067 -0.00843 0.02736 0.00906 0.01833 2 2S 0.52719 -0.22192 0.21654 -0.04799 0.22448 3 2PX 0.01803 -0.09470 0.05090 -0.00756 0.06145 4 2PY -0.07979 0.01178 -0.09699 -0.05757 0.08124 5 2PZ 0.01400 -0.10763 -0.02668 -0.00418 0.04732 6 3S -2.00391 0.73831 -0.54116 -0.27128 -0.77411 7 3PX 0.05165 0.04196 -0.48874 -0.07955 0.16835 8 3PY 0.96013 0.15221 0.97590 0.43163 0.08405 9 3PZ -0.23824 0.08472 0.66858 0.34501 -0.28490 10 4XX -0.07815 -0.23518 0.16380 0.13937 0.05905 11 4YY 0.00160 -0.01017 -0.00344 -0.02876 -0.03150 12 4ZZ 0.10230 0.25185 -0.09968 -0.07161 0.01784 13 4XY 0.10245 0.03038 -0.07174 -0.24329 -0.13855 14 4XZ 0.07966 -0.00448 0.10578 0.15829 0.14889 15 4YZ 0.10898 -0.08452 0.11830 -0.13204 -0.05636 16 2 C 1S 0.04067 0.00842 -0.02736 0.00906 0.01833 17 2S 0.52734 0.22182 -0.21650 -0.04800 0.22448 18 2PX 0.01807 0.09470 -0.05089 -0.00755 0.06145 19 2PY 0.07979 0.01177 -0.09698 0.05755 -0.08127 20 2PZ 0.01404 0.10763 0.02666 -0.00417 0.04733 21 3S -2.00497 -0.73798 0.54105 -0.27106 -0.77411 22 3PX 0.05221 -0.04203 0.48867 -0.07970 0.16842 23 3PY -0.95974 0.15231 0.97590 -0.43164 -0.08386 24 3PZ -0.23877 -0.08465 -0.66849 0.34506 -0.28504 25 4XX -0.07810 0.23518 -0.16382 0.13937 0.05903 26 4YY 0.00161 0.01019 0.00343 -0.02876 -0.03149 27 4ZZ 0.10220 -0.25189 0.09970 -0.07161 0.01783 28 4XY -0.10246 0.03037 -0.07178 0.24328 0.13852 29 4XZ 0.07965 0.00446 -0.10582 0.15830 0.14888 30 4YZ -0.10900 -0.08449 0.11823 0.13205 0.05637 31 3 C 1S -0.04643 0.00001 0.00000 -0.03928 0.02830 32 2S -0.53515 0.00007 -0.00001 -0.51802 0.45830 33 2PX 0.09171 -0.00001 0.00001 0.11897 -0.03047 34 2PY -0.00002 0.04567 -0.14168 0.00001 -0.00001 35 2PZ -0.04882 0.00000 0.00000 -0.08691 0.00223 36 3S 2.74925 -0.00031 0.00005 2.87782 -1.93198 37 3PX 0.45493 -0.00006 0.00000 0.75714 -0.55806 38 3PY -0.00005 0.21991 -0.48695 -0.00001 -0.00005 39 3PZ 0.07270 0.00002 -0.00005 0.25040 0.35587 40 4XX -0.01593 0.00000 0.00000 -0.07969 -0.06671 41 4YY 0.11185 0.00000 0.00001 0.20625 -0.07575 42 4ZZ -0.05340 0.00000 -0.00001 -0.10377 0.13787 43 4XY -0.00001 0.02137 -0.16949 -0.00001 -0.00002 44 4XZ 0.07367 0.00000 0.00000 -0.02836 0.16617 45 4YZ 0.00000 -0.10870 -0.09299 0.00000 -0.00002 46 4 O 1S 0.00413 -0.00369 0.00932 0.04053 -0.04801 47 2S 0.02559 -0.00657 0.05012 0.59307 -0.58847 48 2PX -0.15428 -0.00057 -0.04808 -0.00245 0.00415 49 2PY 0.13994 0.03824 -0.00198 0.14688 -0.00916 50 2PZ 0.16758 -0.06126 0.08888 0.04748 0.02382 51 3S -0.08047 0.02845 -0.35059 -1.93803 2.11730 52 3PX 0.89316 -0.17046 0.36382 0.33588 0.07056 53 3PY -0.64910 0.01020 -0.26617 -0.87770 0.54102 54 3PZ -0.67196 0.07621 -0.31485 -0.34441 -0.17289 55 4XX 0.03002 0.25980 -0.26316 0.16586 -0.14370 56 4YY -0.05156 -0.08043 0.18195 0.18370 -0.29654 57 4ZZ 0.04478 -0.18953 0.14447 0.09031 0.02488 58 4XY -0.03606 0.10597 -0.01069 -0.15153 -0.00930 59 4XZ 0.02905 0.04040 0.00412 -0.08155 0.23001 60 4YZ 0.07753 0.23891 -0.04728 -0.04680 0.02469 61 5 H 1S 0.27280 -0.11765 0.34735 0.22661 0.09205 62 2S 0.37652 0.01302 0.64707 0.30359 0.03804 63 6 H 1S 0.27277 0.11761 -0.34736 0.22661 0.09201 64 2S 0.37644 -0.01307 -0.64705 0.30358 0.03794 65 7 H 1S -0.23821 0.00003 -0.00001 -0.08411 0.08231 66 2S -0.20622 0.00002 -0.00002 -0.06607 0.19711 67 8 O 1S 0.00411 0.00369 -0.00932 0.04054 -0.04801 68 2S 0.02522 0.00655 -0.05011 0.59316 -0.58845 69 2PX -0.15429 0.00060 0.04808 -0.00243 0.00416 70 2PY -0.13988 0.03826 -0.00197 -0.14689 0.00915 71 2PZ 0.16760 0.06125 -0.08888 0.04746 0.02382 72 3S -0.07931 -0.02840 0.35058 -1.93834 2.11731 73 3PX 0.89330 0.17029 -0.36377 0.33577 0.07054 74 3PY 0.64891 0.01009 -0.26618 0.87777 -0.54102 75 3PZ -0.67206 -0.07611 0.31483 -0.34426 -0.17290 76 4XX 0.02986 -0.25981 0.26316 0.16587 -0.14368 77 4YY -0.05169 0.08039 -0.18194 0.18372 -0.29655 78 4ZZ 0.04479 0.18957 -0.14448 0.09034 0.02487 79 4XY 0.03608 0.10596 -0.01067 0.15156 0.00929 80 4XZ 0.02911 -0.04041 -0.00413 -0.08156 0.22999 81 4YZ -0.07752 0.23890 -0.04730 0.04685 -0.02470 82 9 H 1S -0.25235 0.00003 0.00000 -0.26940 0.06816 83 2S -0.34877 0.00003 0.00001 -0.45995 0.09337 84 10 C 1S -0.00060 -0.02160 -0.02047 0.00959 -0.00548 85 2S 0.04573 -0.48680 -0.38911 0.08342 -0.06796 86 2PX -0.03392 -0.00537 0.01781 -0.04113 -0.06330 87 2PY -0.00403 0.02631 0.00994 -0.02508 -0.09795 88 2PZ -0.00590 0.11272 0.08268 -0.04930 0.11181 89 3S -0.09945 2.72345 2.46943 -0.21991 0.02509 90 3PX 0.00491 0.85728 0.57660 0.06403 -0.08468 91 3PY 0.06227 -1.27713 -0.53981 0.09857 0.34373 92 3PZ 0.21749 -1.93383 -1.67349 0.14645 0.17777 93 4XX 0.01867 -0.01250 -0.10259 0.12540 0.09065 94 4YY 0.03278 -0.00945 -0.01717 0.06437 -0.12718 95 4ZZ -0.05555 0.05246 0.12354 -0.19002 0.04829 96 4XY -0.03339 -0.07335 -0.08489 -0.01837 -0.08621 97 4XZ -0.10103 0.14829 0.17416 -0.11086 -0.20217 98 4YZ 0.02203 0.03328 0.02884 -0.09133 -0.02991 99 11 C 1S -0.05602 -0.00146 0.03657 0.02155 -0.01405 100 2S -0.71944 0.06014 0.54505 0.14551 -0.12216 101 2PX 0.06381 0.06371 -0.03482 -0.07048 0.00257 102 2PY -0.01493 -0.02049 0.01488 0.02119 0.09579 103 2PZ 0.08754 -0.10291 -0.06337 0.00060 -0.03760 104 3S 2.36984 -1.38702 -3.02922 -0.58489 0.45440 105 3PX -0.06889 -0.14276 0.02323 -0.08803 0.07129 106 3PY 0.03201 1.04097 0.96477 -0.45649 -0.74320 107 3PZ -0.79591 -0.09219 0.02301 0.20398 -0.02669 108 4XX 0.09341 0.13612 0.09540 0.03003 0.01165 109 4YY -0.07407 -0.01157 0.06449 -0.09221 0.01322 110 4ZZ -0.07267 -0.14084 -0.16991 0.09676 -0.03441 111 4XY -0.16168 0.11950 0.11188 -0.02559 0.08324 112 4XZ 0.06433 -0.16395 -0.22862 0.04360 0.05366 113 4YZ -0.11109 0.04831 -0.01795 0.06227 -0.16043 114 12 C 1S 0.02933 0.01378 -0.03129 -0.01083 0.01264 115 2S 0.34055 0.17088 -0.39401 -0.13447 0.14420 116 2PX 0.06272 0.00320 -0.01373 -0.00117 -0.05944 117 2PY -0.00889 -0.01624 -0.02862 -0.06732 0.04614 118 2PZ -0.01444 0.08036 0.02478 0.02397 0.07936 119 3S -1.52506 0.04357 2.13552 0.56102 -0.49538 120 3PX 0.34017 -0.52601 -0.51523 -0.03106 0.18383 121 3PY -0.44513 -0.04230 -0.31619 0.34542 -0.00077 122 3PZ -0.20577 -0.32611 0.07649 0.02765 -0.27842 123 4XX -0.11338 0.01154 -0.02944 -0.00063 -0.07462 124 4YY 0.00915 0.01786 0.01855 -0.03729 0.19545 125 4ZZ 0.14077 -0.01801 0.00713 0.02360 -0.10997 126 4XY 0.23738 -0.01245 -0.01325 -0.14303 -0.13298 127 4XZ -0.04411 -0.03701 -0.03748 0.11661 0.20800 128 4YZ 0.02300 0.05952 0.10128 0.19886 0.05963 129 13 C 1S 0.02934 -0.01379 0.03129 -0.01082 0.01264 130 2S 0.34070 -0.17098 0.39399 -0.13434 0.14424 131 2PX 0.06273 -0.00321 0.01373 -0.00119 -0.05944 132 2PY 0.00887 -0.01628 -0.02865 0.06730 -0.04615 133 2PZ -0.01444 -0.08037 -0.02477 0.02397 0.07936 134 3S -1.52584 -0.04324 -2.13538 0.56040 -0.49551 135 3PX 0.34028 0.52592 0.51523 -0.03087 0.18377 136 3PY 0.44519 -0.04221 -0.31606 -0.34550 0.00076 137 3PZ -0.20573 0.32631 -0.07640 0.02759 -0.27851 138 4XX -0.11332 -0.01156 0.02944 -0.00069 -0.07470 139 4YY 0.00911 -0.01786 -0.01857 -0.03723 0.19548 140 4ZZ 0.14076 0.01801 -0.00712 0.02362 -0.10993 141 4XY -0.23739 -0.01247 -0.01330 0.14300 0.13293 142 4XZ -0.04414 0.03699 0.03745 0.11664 0.20804 143 4YZ -0.02303 0.05955 0.10129 -0.19884 -0.05958 144 14 C 1S -0.05603 0.00147 -0.03658 0.02154 -0.01406 145 2S -0.71961 -0.06002 -0.54507 0.14548 -0.12217 146 2PX 0.06386 -0.06369 0.03485 -0.07049 0.00258 147 2PY 0.01489 -0.02047 0.01492 -0.02119 -0.09577 148 2PZ 0.08759 0.10289 0.06337 0.00061 -0.03762 149 3S 2.37051 1.38667 3.02932 -0.58437 0.45469 150 3PX -0.06874 0.14261 -0.02344 -0.08798 0.07120 151 3PY -0.03155 1.04056 0.96435 0.45671 0.74329 152 3PZ -0.79607 0.09246 -0.02279 0.20396 -0.02645 153 4XX 0.09339 -0.13615 -0.09544 0.03002 0.01168 154 4YY -0.07406 0.01158 -0.06447 -0.09218 0.01313 155 4ZZ -0.07265 0.14085 0.16992 0.09675 -0.03436 156 4XY 0.16158 0.11942 0.11184 0.02564 -0.08320 157 4XZ 0.06437 0.16395 0.22863 0.04366 0.05367 158 4YZ 0.11106 0.04830 -0.01800 -0.06229 0.16049 159 15 C 1S -0.00059 0.02160 0.02047 0.00959 -0.00547 160 2S 0.04577 0.48683 0.38907 0.08350 -0.06782 161 2PX -0.03388 0.00540 -0.01780 -0.04112 -0.06333 162 2PY 0.00401 0.02632 0.00992 0.02509 0.09793 163 2PZ -0.00590 -0.11272 -0.08265 -0.04934 0.11181 164 3S -0.09997 -2.72339 -2.46945 -0.22037 0.02453 165 3PX 0.00473 -0.85719 -0.57649 0.06379 -0.08466 166 3PY -0.06258 -1.27742 -0.53992 -0.09889 -0.34388 167 3PZ 0.21773 1.93352 1.67327 0.14692 0.17796 168 4XX 0.01865 0.01242 0.10256 0.12542 0.09063 169 4YY 0.03279 0.00943 0.01716 0.06434 -0.12719 170 4ZZ -0.05553 -0.05238 -0.12349 -0.19002 0.04829 171 4XY 0.03339 -0.07341 -0.08493 0.01838 0.08623 172 4XZ -0.10097 -0.14825 -0.17416 -0.11091 -0.20220 173 4YZ -0.02203 0.03326 0.02882 0.09139 0.02987 174 16 H 1S -0.06987 0.32725 0.15577 0.06289 -0.20912 175 2S -0.06470 0.66268 0.41818 -0.04234 -0.09353 176 17 H 1S -0.29126 -0.08852 0.05401 0.24693 0.06007 177 2S -0.27523 -0.25827 -0.03617 0.25991 0.32695 178 18 H 1S 0.14523 -0.03898 -0.18405 -0.00293 0.05816 179 2S 0.06356 -0.12581 -0.15305 -0.12012 -0.08440 180 19 H 1S 0.14527 0.03896 0.18405 -0.00289 0.05814 181 2S 0.06368 0.12586 0.15308 -0.12007 -0.08443 182 20 H 1S -0.29125 0.08848 -0.05411 0.24693 0.06008 183 2S -0.27518 0.25813 0.03597 0.25996 0.32694 184 21 H 1S -0.06990 -0.32722 -0.15572 0.06279 -0.20913 185 2S -0.06480 -0.66265 -0.41810 -0.04253 -0.09357 186 22 H 1S 0.06027 0.18494 -0.02867 -0.06298 0.06072 187 2S 0.16025 0.21075 -0.03009 -0.07892 0.02387 188 23 H 1S 0.06029 -0.18496 0.02864 -0.06297 0.06074 189 2S 0.16032 -0.21078 0.03010 -0.07892 0.02393 131 132 133 134 135 V V V V V Eigenvalues -- 1.74684 1.75980 1.79216 1.85800 1.87089 1 1 C 1S -0.03854 0.00795 0.00717 0.00382 0.01153 2 2S -0.55595 0.11240 0.08816 -0.02309 0.31145 3 2PX -0.15485 0.00019 -0.10881 -0.03035 -0.05037 4 2PY 0.04909 0.05800 0.01458 0.00055 -0.03020 5 2PZ 0.05750 0.03554 -0.01150 0.02130 0.14154 6 3S 1.88106 -0.21802 0.24299 -0.10250 -0.43617 7 3PX 1.14367 0.09520 -0.03580 0.33226 0.02889 8 3PY 0.39750 -0.13694 -0.37002 0.07272 0.07386 9 3PZ -0.78101 -0.28067 -0.07483 -0.45493 -0.11375 10 4XX -0.01418 -0.04517 -0.14397 -0.00169 -0.14891 11 4YY 0.00747 0.00738 0.06343 0.00630 0.10866 12 4ZZ -0.01673 0.04903 0.06600 0.00308 -0.00801 13 4XY -0.03406 0.02106 0.21683 -0.02318 0.11787 14 4XZ 0.01694 -0.00119 -0.15221 0.01278 0.13628 15 4YZ -0.13590 0.00436 -0.00222 -0.03486 -0.18356 16 2 C 1S 0.03854 0.00795 0.00716 -0.00382 0.01153 17 2S 0.55606 0.11246 0.08809 0.02301 0.31148 18 2PX 0.15489 0.00021 -0.10883 0.03034 -0.05036 19 2PY 0.04913 -0.05801 -0.01460 0.00054 0.03018 20 2PZ -0.05749 0.03555 -0.01147 -0.02132 0.14154 21 3S -1.88122 -0.21825 0.24316 0.10261 -0.43620 22 3PX -1.14382 0.09522 -0.03544 -0.33231 0.02881 23 3PY 0.39734 0.13706 0.37007 0.07274 -0.07375 24 3PZ 0.78103 -0.28071 -0.07512 0.45495 -0.11367 25 4XX 0.01411 -0.04516 -0.14396 0.00172 -0.14892 26 4YY -0.00741 0.00738 0.06342 -0.00630 0.10863 27 4ZZ 0.01671 0.04902 0.06598 -0.00310 -0.00799 28 4XY -0.03410 -0.02107 -0.21682 -0.02319 -0.11792 29 4XZ -0.01701 -0.00120 -0.15223 -0.01284 0.13623 30 4YZ -0.13593 -0.00438 0.00223 -0.03483 0.18356 31 3 C 1S 0.00000 0.01563 -0.03391 0.00000 -0.01131 32 2S -0.00003 0.25377 -0.49518 0.00003 -0.05521 33 2PX -0.00001 -0.02391 -0.06423 0.00000 -0.05198 34 2PY 0.04437 -0.00001 -0.00001 0.01418 -0.00001 35 2PZ 0.00000 0.03628 0.02640 0.00001 -0.00651 36 3S 0.00008 -1.19863 1.45544 -0.00012 0.12100 37 3PX 0.00001 -0.39450 0.40031 -0.00001 -0.05697 38 3PY 0.05364 -0.00001 0.00003 0.01807 0.00002 39 3PZ -0.00004 -0.03139 -0.66733 0.00001 -0.36311 40 4XX 0.00002 0.01836 0.27106 -0.00001 0.31726 41 4YY 0.00000 -0.10147 -0.13625 0.00002 -0.36027 42 4ZZ -0.00001 0.06963 -0.12647 -0.00002 0.06402 43 4XY -0.02589 0.00000 0.00001 -0.00477 0.00001 44 4XZ 0.00000 0.03442 -0.14771 -0.00001 0.01329 45 4YZ -0.01358 -0.00001 -0.00001 -0.03401 -0.00004 46 4 O 1S -0.01115 -0.02495 0.02559 -0.00807 -0.00433 47 2S -0.20873 -0.36550 0.30801 -0.10253 -0.00558 48 2PX -0.00673 -0.02730 -0.04499 0.00523 -0.02903 49 2PY 0.02173 -0.02701 -0.05006 0.00543 0.03785 50 2PZ 0.01761 -0.01431 -0.04657 0.00651 -0.04519 51 3S 0.73812 1.22289 -1.17013 0.46640 0.14095 52 3PX 0.06995 0.01707 -0.01340 0.09006 0.00336 53 3PY 0.01179 0.38226 -0.16737 0.03772 0.01390 54 3PZ -0.10650 0.05586 0.26236 -0.08066 0.13624 55 4XX -0.02140 -0.07615 0.07609 -0.00467 -0.12406 56 4YY -0.09761 -0.13759 0.23721 -0.04824 -0.00359 57 4ZZ -0.01855 -0.03024 -0.11709 -0.01205 0.13911 58 4XY -0.04180 0.04064 0.16066 0.00212 0.08486 59 4XZ 0.01873 0.11769 -0.15190 0.01496 0.07321 60 4YZ 0.04700 0.02182 0.05538 0.01832 0.08316 61 5 H 1S -0.25697 -0.02471 -0.12282 -0.04781 0.19739 62 2S -0.50223 -0.15870 -0.11327 -0.14896 -0.00223 63 6 H 1S 0.25694 -0.02470 -0.12288 0.04779 0.19739 64 2S 0.50232 -0.15872 -0.11345 0.14893 -0.00222 65 7 H 1S -0.00002 0.03155 -0.22487 0.00003 -0.27375 66 2S -0.00002 0.02039 -0.23171 0.00000 -0.05997 67 8 O 1S 0.01115 -0.02495 0.02559 0.00807 -0.00433 68 2S 0.20876 -0.36551 0.30793 0.10249 -0.00556 69 2PX 0.00672 -0.02729 -0.04500 -0.00523 -0.02904 70 2PY 0.02174 0.02702 0.05007 0.00546 -0.03784 71 2PZ -0.01762 -0.01430 -0.04655 -0.00650 -0.04520 72 3S -0.73825 1.22296 -1.16982 -0.46636 0.14083 73 3PX -0.06992 0.01707 -0.01337 -0.09010 0.00333 74 3PY 0.01181 -0.38229 0.16731 0.03766 -0.01392 75 3PZ 0.10654 0.05582 0.26233 0.08069 0.13627 76 4XX 0.02142 -0.07616 0.07607 0.00471 -0.12404 77 4YY 0.09762 -0.13759 0.23718 0.04823 -0.00357 78 4ZZ 0.01854 -0.03023 -0.11709 0.01199 0.13910 79 4XY -0.04182 -0.04064 -0.16064 0.00212 -0.08486 80 4XZ -0.01876 0.11768 -0.15191 -0.01498 0.07319 81 4YZ 0.04697 -0.02181 -0.05534 0.01832 -0.08317 82 9 H 1S 0.00001 0.08491 0.03391 0.00002 0.02101 83 2S 0.00000 0.15237 0.08414 0.00001 0.12542 84 10 C 1S 0.01711 -0.00411 0.00506 0.01770 0.01322 85 2S 0.11566 -0.13939 0.03845 0.01736 0.13362 86 2PX 0.01687 0.00716 -0.06274 -0.04297 0.03973 87 2PY 0.02512 0.09386 -0.10515 0.10322 -0.00096 88 2PZ 0.05634 0.04239 0.09044 0.05778 -0.08587 89 3S -1.47939 0.04896 -0.30037 -1.31317 -0.41079 90 3PX -0.20212 -0.11739 -0.17584 -0.30596 0.02975 91 3PY -0.12638 -0.01387 0.40563 0.53376 -0.15329 92 3PZ 0.93714 0.13437 0.47322 0.65216 0.07535 93 4XX -0.06266 -0.10232 0.04179 0.07336 0.26305 94 4YY -0.01058 0.14243 -0.04188 -0.13174 -0.03439 95 4ZZ 0.05555 -0.03608 0.03460 0.02417 -0.16867 96 4XY -0.04595 -0.02460 -0.16095 0.02949 0.04684 97 4XZ 0.01729 -0.00695 -0.18058 -0.11441 0.19665 98 4YZ 0.00319 0.15732 0.05026 0.03160 -0.03456 99 11 C 1S -0.02759 -0.00160 -0.00856 -0.00400 0.00633 100 2S -0.50684 -0.31135 -0.28795 0.12703 0.07786 101 2PX -0.02867 -0.12855 0.01925 -0.03717 0.05607 102 2PY 0.13563 0.10979 0.10717 -0.05720 -0.05504 103 2PZ 0.13708 0.19056 0.03786 -0.05340 0.03729 104 3S 0.90725 0.57698 0.84764 0.51226 -0.12367 105 3PX -0.59706 0.21080 0.13615 0.30381 -0.29123 106 3PY -0.60178 -0.49984 -1.03599 -0.60052 -0.09784 107 3PZ 0.75386 -0.27259 0.06183 0.55112 0.11937 108 4XX -0.08689 -0.01748 0.03352 0.31111 0.15402 109 4YY -0.02218 0.01361 0.03358 -0.12834 -0.11025 110 4ZZ 0.06477 0.02218 -0.02836 -0.18715 0.02739 111 4XY 0.10258 -0.19851 -0.01982 -0.11429 0.17316 112 4XZ -0.03295 -0.10317 0.05330 0.12168 0.16795 113 4YZ -0.05004 0.17130 -0.10769 -0.39391 0.14877 114 12 C 1S -0.11687 0.00448 0.00951 -0.01410 -0.01521 115 2S -1.49985 0.23605 0.15309 0.09647 -0.08460 116 2PX 0.18786 0.05690 -0.02582 0.01530 0.03131 117 2PY -0.04725 -0.24756 -0.02930 -0.01918 -0.01983 118 2PZ -0.03908 -0.05331 0.02553 0.13114 0.00300 119 3S 4.81181 -0.54566 -0.55366 -0.18679 0.43846 120 3PX -0.56799 0.09777 0.19424 -0.70981 0.01538 121 3PY -0.93652 0.26701 0.12945 0.18635 0.18137 122 3PZ 0.05081 -0.07226 -0.26667 -1.21688 0.09463 123 4XX 0.06489 0.10238 -0.01107 -0.15454 0.13309 124 4YY 0.02961 -0.29921 0.10361 0.04361 -0.12682 125 4ZZ -0.14969 0.17272 -0.09489 0.09052 0.02248 126 4XY -0.12607 -0.23919 -0.20375 0.07294 0.09519 127 4XZ 0.12834 -0.01822 0.20955 0.25922 0.14071 128 4YZ 0.01826 0.27380 0.09726 0.24782 0.00531 129 13 C 1S 0.11687 0.00449 0.00950 0.01411 -0.01522 130 2S 1.49980 0.23622 0.15289 -0.09639 -0.08476 131 2PX -0.18784 0.05688 -0.02576 -0.01529 0.03131 132 2PY -0.04732 0.24756 0.02930 -0.01916 0.01984 133 2PZ 0.03910 -0.05325 0.02555 -0.13113 0.00293 134 3S -4.81169 -0.54636 -0.55318 0.18634 0.43890 135 3PX 0.56797 0.09771 0.19398 0.70977 0.01569 136 3PY -0.93638 -0.26711 -0.12929 0.18638 -0.18123 137 3PZ -0.05088 -0.07258 -0.26700 1.21687 0.09525 138 4XX -0.06481 0.10226 -0.01117 0.15449 0.13314 139 4YY -0.02957 -0.29912 0.10366 -0.04354 -0.12685 140 4ZZ 0.14959 0.17275 -0.09485 -0.09056 0.02246 141 4XY -0.12609 0.23918 0.20369 0.07313 -0.09512 142 4XZ -0.12836 -0.01816 0.20964 -0.25920 0.14060 143 4YZ 0.01822 -0.27389 -0.09726 0.24762 -0.00523 144 14 C 1S 0.02758 -0.00160 -0.00857 0.00400 0.00633 145 2S 0.50683 -0.31137 -0.28806 -0.12723 0.07780 146 2PX 0.02871 -0.12855 0.01923 0.03713 0.05607 147 2PY 0.13569 -0.10983 -0.10721 -0.05727 0.05501 148 2PZ -0.13704 0.19053 0.03788 0.05339 0.03734 149 3S -0.90726 0.57752 0.84815 -0.51192 -0.12387 150 3PX 0.59695 0.21091 0.13612 -0.30356 -0.29141 151 3PY -0.60191 0.50013 1.03637 -0.60028 0.09760 152 3PZ -0.75393 -0.27245 0.06217 -0.55139 0.11918 153 4XX 0.08686 -0.01744 0.03355 -0.31119 0.15389 154 4YY 0.02222 0.01370 0.03355 0.12847 -0.11018 155 4ZZ -0.06476 0.02206 -0.02837 0.18708 0.02745 156 4XY 0.10254 0.19860 0.01986 -0.11422 -0.17321 157 4XZ 0.03301 -0.10308 0.05334 -0.12186 0.16786 158 4YZ -0.05003 -0.17122 0.10779 -0.39386 -0.14894 159 15 C 1S -0.01711 -0.00410 0.00507 -0.01771 0.01322 160 2S -0.11571 -0.13924 0.03852 -0.01754 0.13368 161 2PX -0.01690 0.00716 -0.06275 0.04295 0.03975 162 2PY 0.02512 -0.09389 0.10511 0.10323 0.00104 163 2PZ -0.05631 0.04234 0.09046 -0.05767 -0.08590 164 3S 1.47939 0.04819 -0.30115 1.31344 -0.41050 165 3PX 0.20221 -0.11756 -0.17600 0.30587 0.02982 166 3PY -0.12605 0.01352 -0.40597 0.53376 0.15337 167 3PZ -0.93731 0.13481 0.47365 -0.65209 0.07526 168 4XX 0.06271 -0.10234 0.04180 -0.07357 0.26300 169 4YY 0.01053 0.14246 -0.04188 0.13180 -0.03435 170 4ZZ -0.05554 -0.03611 0.03458 -0.02406 -0.16866 171 4XY -0.04593 0.02457 0.16099 0.02947 -0.04684 172 4XZ -0.01730 -0.00697 -0.18059 0.11425 0.19667 173 4YZ 0.00319 -0.15730 -0.05029 0.03162 0.03462 174 16 H 1S -0.04269 -0.12964 -0.27900 -0.15686 0.20252 175 2S -0.15345 -0.03020 -0.18359 -0.22011 0.02942 176 17 H 1S 0.07129 0.01547 0.13120 0.16107 0.12827 177 2S 0.11387 0.14246 0.29884 0.17099 0.05976 178 18 H 1S -0.40395 0.03243 0.01269 -0.32226 -0.07180 179 2S -0.36244 0.01722 -0.01059 -0.39735 -0.00914 180 19 H 1S 0.40397 0.03241 0.01257 0.32237 -0.07167 181 2S 0.36242 0.01717 -0.01077 0.39736 -0.00895 182 20 H 1S -0.07135 0.01545 0.13123 -0.16108 0.12822 183 2S -0.11400 0.14250 0.29895 -0.17098 0.05970 184 21 H 1S 0.04273 -0.12972 -0.27907 0.15672 0.20256 185 2S 0.15355 -0.03034 -0.18374 0.22006 0.02945 186 22 H 1S -0.40032 0.02248 0.03412 0.16978 -0.21888 187 2S -0.15291 0.02422 0.01203 0.34450 -0.01569 188 23 H 1S 0.40032 0.02256 0.03411 -0.16966 -0.21898 189 2S 0.15298 0.02433 0.01216 -0.34449 -0.01588 136 137 138 139 140 V V V V V Eigenvalues -- 1.89382 1.89864 1.94417 1.96128 1.96313 1 1 C 1S 0.00195 0.00905 -0.00041 -0.01891 -0.00039 2 2S 0.06793 -0.02306 0.08883 -0.27979 0.05703 3 2PX 0.02191 -0.09239 0.06300 -0.10905 0.04384 4 2PY 0.21514 0.01381 -0.01756 0.00034 0.14007 5 2PZ 0.00035 0.11521 -0.06969 -0.02112 0.00736 6 3S 0.34031 0.08601 -0.25479 0.78345 0.00419 7 3PX 0.11921 0.01323 0.01097 0.28537 -0.02404 8 3PY 0.57919 -0.03074 -0.00627 -0.25606 -0.18673 9 3PZ 0.38887 0.08134 -0.28900 0.08705 0.06550 10 4XX 0.01529 0.02771 -0.10355 0.01000 0.03501 11 4YY 0.05896 0.03363 0.07668 0.02821 -0.23773 12 4ZZ -0.08204 -0.03760 -0.01131 0.00509 0.24222 13 4XY 0.24181 0.14020 -0.06229 -0.11364 0.13565 14 4XZ 0.11532 0.08098 -0.17373 0.03557 -0.04641 15 4YZ -0.10729 -0.32050 0.29397 -0.03452 -0.11956 16 2 C 1S -0.00194 0.00905 -0.00042 0.01891 -0.00035 17 2S -0.06787 -0.02312 0.08868 0.27970 0.05763 18 2PX -0.02198 -0.09241 0.06293 0.10898 0.04410 19 2PY 0.21512 -0.01394 0.01761 0.00065 -0.14006 20 2PZ -0.00026 0.11520 -0.06968 0.02109 0.00739 21 3S -0.34034 0.08643 -0.25451 -0.78361 0.00246 22 3PX -0.11920 0.01336 0.01132 -0.28539 -0.02467 23 3PY 0.57925 0.03037 0.00650 -0.25650 0.18617 24 3PZ -0.38877 0.08148 -0.28922 -0.08726 0.06530 25 4XX -0.01528 0.02773 -0.10354 -0.01009 0.03500 26 4YY -0.05894 0.03360 0.07672 -0.02765 -0.23783 27 4ZZ 0.08203 -0.03758 -0.01134 -0.00565 0.24223 28 4XY 0.24175 -0.14029 0.06238 -0.11335 -0.13589 29 4XZ -0.11520 0.08104 -0.17370 -0.03555 -0.04654 30 4YZ -0.10710 0.32059 -0.29396 -0.03480 0.11942 31 3 C 1S 0.00000 -0.00267 0.01001 0.00002 -0.01279 32 2S -0.00002 0.03849 0.06313 0.00007 -0.03927 33 2PX 0.00000 -0.02463 -0.01166 -0.00008 0.06462 34 2PY 0.09360 -0.00003 -0.00001 0.08853 0.00011 35 2PZ 0.00001 0.01391 0.01096 -0.00009 0.09069 36 3S 0.00011 -0.16660 -0.44818 -0.00056 0.36496 37 3PX 0.00006 0.06096 -0.28239 -0.00046 0.37989 38 3PY 0.20596 -0.00005 0.00003 -0.06793 -0.00013 39 3PZ -0.00002 -0.11075 -0.10866 -0.00100 0.89921 40 4XX 0.00008 0.25384 -0.15194 0.00020 -0.17974 41 4YY -0.00009 -0.26754 0.14210 0.00010 -0.08457 42 4ZZ 0.00001 0.01547 -0.00106 -0.00033 0.29429 43 4XY 0.06662 0.00001 0.00002 -0.18831 -0.00022 44 4XZ -0.00003 -0.10396 0.10415 0.00032 -0.29797 45 4YZ -0.03555 0.00000 0.00000 0.06414 0.00006 46 4 O 1S -0.01318 0.00777 -0.01629 0.01391 0.01131 47 2S 0.01160 0.00656 -0.19179 -0.01402 -0.00651 48 2PX 0.03044 -0.01868 -0.01151 0.07724 -0.05607 49 2PY 0.18863 -0.00394 -0.01984 -0.12008 -0.02896 50 2PZ 0.06694 0.03446 -0.05043 -0.06769 0.19143 51 3S 0.17801 -0.12056 0.70893 -0.23220 -0.20621 52 3PX -0.12958 -0.18146 0.17122 -0.19965 -0.04809 53 3PY -0.25003 0.00810 0.20196 0.15544 -0.02101 54 3PZ -0.13388 0.05665 0.06266 0.13241 -0.42170 55 4XX 0.14416 -0.04584 -0.00560 -0.04870 0.08444 56 4YY -0.43052 0.00345 -0.05034 0.20198 -0.01622 57 4ZZ 0.21879 0.07871 -0.07600 -0.09315 -0.04067 58 4XY -0.32678 0.04791 0.00947 0.02968 -0.05392 59 4XZ -0.18696 0.00881 0.01108 0.04231 0.07507 60 4YZ 0.00783 -0.00912 0.06374 0.00144 -0.37979 61 5 H 1S 0.30646 0.28864 -0.29181 -0.17531 0.05279 62 2S 0.18563 -0.11168 0.03186 -0.08577 -0.04359 63 6 H 1S -0.30627 0.28877 -0.29196 0.17519 0.05317 64 2S -0.18569 -0.11162 0.03171 0.08590 -0.04341 65 7 H 1S -0.00003 -0.06172 0.01098 -0.00040 0.37906 66 2S 0.00001 0.03688 -0.07690 -0.00022 0.20251 67 8 O 1S 0.01319 0.00776 -0.01628 -0.01394 0.01127 68 2S -0.01153 0.00657 -0.19183 0.01392 -0.00648 69 2PX -0.03046 -0.01865 -0.01148 -0.07713 -0.05626 70 2PY 0.18863 0.00385 0.01992 -0.12013 0.02867 71 2PZ -0.06690 0.03448 -0.05046 0.06726 0.19160 72 3S -0.17824 -0.12047 0.70902 0.23293 -0.20566 73 3PX 0.12951 -0.18154 0.17120 0.19978 -0.04763 74 3PY -0.24998 -0.00798 -0.20208 0.15533 0.02140 75 3PZ 0.13386 0.05659 0.06266 -0.13144 -0.42201 76 4XX -0.14415 -0.04575 -0.00567 0.04852 0.08455 77 4YY 0.43052 0.00324 -0.05020 -0.20198 -0.01674 78 4ZZ -0.21874 0.07880 -0.07606 0.09321 -0.04039 79 4XY -0.32685 -0.04776 -0.00954 0.02957 0.05396 80 4XZ 0.18696 0.00872 0.01113 -0.04248 0.07497 81 4YZ 0.00793 0.00910 -0.06373 0.00055 0.37981 82 9 H 1S -0.00003 -0.00869 0.10209 0.00063 -0.54677 83 2S 0.00001 0.08904 0.07114 0.00029 -0.25228 84 10 C 1S -0.00166 -0.00993 0.00565 -0.00069 -0.00325 85 2S 0.05067 -0.28351 -0.13730 -0.03646 -0.01378 86 2PX 0.01321 0.01650 0.02076 0.00796 -0.03713 87 2PY 0.06279 0.08967 0.09761 0.19494 0.05789 88 2PZ -0.03490 0.03367 -0.00281 -0.02767 0.00989 89 3S -0.19888 0.52820 0.04013 0.05959 0.21605 90 3PX -0.09103 0.09360 -0.01449 -0.20092 0.02459 91 3PY -0.13263 -0.10899 -0.09060 -0.47228 -0.01680 92 3PZ 0.14781 -0.28828 0.10564 0.43193 -0.00094 93 4XX -0.04532 -0.21393 0.06219 -0.09619 -0.03123 94 4YY 0.00527 0.18717 0.21741 -0.04624 0.08737 95 4ZZ 0.05696 -0.05049 -0.26792 0.16841 -0.06740 96 4XY -0.04517 0.09932 0.00856 -0.04591 -0.10083 97 4XZ 0.04292 -0.11135 0.00054 -0.01517 -0.01829 98 4YZ 0.05730 -0.08710 0.07448 0.17581 0.18028 99 11 C 1S -0.00689 0.00069 -0.00366 -0.03408 0.00094 100 2S -0.12271 -0.05059 -0.03575 -0.51774 0.26517 101 2PX -0.02200 -0.00841 0.01680 0.02760 0.01687 102 2PY 0.07393 -0.02283 -0.07923 0.13172 -0.09199 103 2PZ -0.01194 -0.03460 0.09699 0.04056 0.05923 104 3S 0.37286 -0.19427 0.29522 1.65366 -0.42308 105 3PX 0.07928 0.02834 -0.11696 -0.03649 -0.05239 106 3PY -0.10649 0.38725 -0.24231 0.20713 0.16749 107 3PZ 0.15728 -0.23020 -0.29338 -0.07679 -0.09675 108 4XX 0.01871 -0.15286 0.04384 -0.08340 -0.01384 109 4YY 0.14062 -0.01457 -0.08332 0.40741 0.04863 110 4ZZ -0.14436 0.12024 0.10784 -0.26811 -0.00781 111 4XY -0.05836 -0.00323 0.18590 -0.09340 0.06537 112 4XZ -0.02700 -0.17929 0.06289 0.07085 0.10275 113 4YZ 0.01870 0.02812 0.23078 -0.09972 0.08670 114 12 C 1S 0.00282 0.02387 0.02060 -0.00049 -0.00896 115 2S -0.04903 -0.16069 -0.09695 0.02450 -0.04211 116 2PX 0.04458 0.03746 0.00141 0.02436 0.00020 117 2PY 0.02903 0.10550 0.08806 0.11233 0.03870 118 2PZ -0.01590 0.00916 0.00751 0.02547 0.02974 119 3S -0.04126 -0.15530 -0.25154 -0.14493 0.21389 120 3PX -0.31801 -0.04809 0.27365 -0.24391 0.00480 121 3PY -0.04639 -0.28948 -0.12852 -0.58863 -0.00674 122 3PZ -0.16321 0.12698 0.10531 -0.25048 0.03795 123 4XX -0.01820 -0.18397 -0.13972 -0.01141 0.01530 124 4YY -0.02108 0.29139 0.29810 -0.02038 0.00656 125 4ZZ 0.04928 -0.09708 -0.13184 0.05057 -0.02358 126 4XY 0.13276 0.06354 0.10148 0.23516 0.08985 127 4XZ -0.07607 -0.17954 0.04133 -0.11262 0.11836 128 4YZ -0.00144 0.14288 0.21571 -0.17686 -0.00963 129 13 C 1S -0.00281 0.02387 0.02059 0.00051 -0.00895 130 2S 0.04898 -0.16066 -0.09715 -0.02448 -0.04219 131 2PX -0.04456 0.03750 0.00146 -0.02434 0.00017 132 2PY 0.02899 -0.10552 -0.08807 0.11239 -0.03845 133 2PZ 0.01590 0.00920 0.00751 -0.02553 0.02965 134 3S 0.04120 -0.15536 -0.25089 0.14432 0.21411 135 3PX 0.31791 -0.04859 0.27337 0.24392 0.00536 136 3PY -0.04626 0.28948 0.12881 -0.58857 0.00545 137 3PZ 0.16325 0.12647 0.10532 0.25035 0.03857 138 4XX 0.01809 -0.18398 -0.13971 0.01124 0.01533 139 4YY 0.02119 0.29140 0.29813 0.02054 0.00658 140 4ZZ -0.04928 -0.09707 -0.13188 -0.05055 -0.02366 141 4XY 0.13277 -0.06370 -0.10155 0.23540 -0.08936 142 4XZ 0.07601 -0.17952 0.04132 0.11240 0.11855 143 4YZ -0.00147 -0.14289 -0.21564 -0.17693 0.00926 144 14 C 1S 0.00689 0.00068 -0.00367 0.03408 0.00102 145 2S 0.12266 -0.05064 -0.03593 0.51708 0.26627 146 2PX 0.02198 -0.00843 0.01680 -0.02766 0.01679 147 2PY 0.07393 0.02282 0.07918 0.13154 0.09226 148 2PZ 0.01193 -0.03463 0.09704 -0.04061 0.05918 149 3S -0.37293 -0.19391 0.29555 -1.65261 -0.42659 150 3PX -0.07925 0.02849 -0.11710 0.03657 -0.05226 151 3PY -0.10670 -0.38716 0.24227 0.20758 -0.16696 152 3PZ -0.15738 -0.23004 -0.29331 0.07683 -0.09668 153 4XX -0.01877 -0.15273 0.04384 0.08350 -0.01366 154 4YY -0.14064 -0.01449 -0.08323 -0.40755 0.04776 155 4ZZ 0.14440 0.12005 0.10774 0.26812 -0.00724 156 4XY -0.05830 0.00333 -0.18588 -0.09320 -0.06558 157 4XZ 0.02687 -0.17926 0.06287 -0.07111 0.10256 158 4YZ 0.01867 -0.02804 -0.23079 -0.09972 -0.08694 159 15 C 1S 0.00165 -0.00993 0.00565 0.00070 -0.00325 160 2S -0.05080 -0.28351 -0.13729 0.03643 -0.01365 161 2PX -0.01320 0.01650 0.02076 -0.00788 -0.03714 162 2PY 0.06275 -0.08977 -0.09764 0.19502 -0.05745 163 2PZ 0.03494 0.03365 -0.00282 0.02768 0.00992 164 3S 0.19913 0.52799 0.04007 -0.05997 0.21579 165 3PX 0.09108 0.09351 -0.01445 0.20089 0.02496 166 3PY -0.13254 0.10914 0.09073 -0.47223 0.01568 167 3PZ -0.14798 -0.28812 0.10573 -0.43197 -0.00176 168 4XX 0.04521 -0.21393 0.06216 0.09625 -0.03103 169 4YY -0.00522 0.18710 0.21742 0.04611 0.08755 170 4ZZ -0.05692 -0.05041 -0.26791 -0.16832 -0.06783 171 4XY -0.04521 -0.09930 -0.00855 -0.04616 0.10074 172 4XZ -0.04300 -0.11137 0.00054 0.01517 -0.01822 173 4YZ 0.05735 0.08709 -0.07441 0.17623 -0.17985 174 16 H 1S -0.04347 0.07895 0.02856 -0.20778 -0.13310 175 2S 0.01306 0.02464 -0.03725 -0.00013 0.01461 176 17 H 1S -0.13165 -0.03203 0.14784 -0.55424 -0.00256 177 2S 0.04579 -0.15010 0.05678 -0.11559 -0.02109 178 18 H 1S -0.06495 0.23223 0.24542 -0.08350 -0.03542 179 2S -0.02734 0.02905 0.01325 0.05766 -0.00045 180 19 H 1S 0.06501 0.23206 0.24534 0.08364 -0.03520 181 2S 0.02734 0.02888 0.01321 -0.05766 -0.00056 182 20 H 1S 0.13161 -0.03212 0.14773 0.55430 -0.00134 183 2S -0.04588 -0.15009 0.05674 0.11565 -0.02083 184 21 H 1S 0.04350 0.07889 0.02855 0.20808 -0.13266 185 2S -0.01304 0.02464 -0.03722 0.00007 0.01456 186 22 H 1S 0.07072 0.14634 -0.02369 0.07560 -0.11029 187 2S 0.11786 0.00941 -0.08311 0.23748 0.00296 188 23 H 1S -0.07064 0.14645 -0.02370 -0.07530 -0.11045 189 2S -0.11782 0.00961 -0.08303 -0.23745 0.00243 141 142 143 144 145 V V V V V Eigenvalues -- 1.98887 2.01317 2.01546 2.02324 2.05926 1 1 C 1S 0.00013 -0.00263 0.00343 0.00580 0.00038 2 2S -0.11752 0.10976 -0.20790 0.31595 0.13575 3 2PX 0.05786 -0.21836 0.00425 -0.01587 0.01606 4 2PY -0.07310 -0.00677 -0.01018 0.11366 0.21798 5 2PZ -0.01380 0.05429 -0.08232 0.00511 -0.01432 6 3S -0.26999 0.47814 0.86043 -0.16328 0.05203 7 3PX 0.32172 0.42566 -0.55247 0.05342 -0.10773 8 3PY -0.12666 -0.40116 0.39864 -0.35858 -0.23057 9 3PZ -0.56345 -0.14343 0.93274 -0.26869 0.14210 10 4XX 0.09353 -0.12274 0.06494 -0.10436 0.35827 11 4YY -0.08767 0.03061 -0.03726 -0.12142 -0.43304 12 4ZZ -0.06307 0.13796 0.03977 0.21582 0.13673 13 4XY -0.06780 -0.09591 0.02823 -0.01437 0.02738 14 4XZ -0.14712 0.36576 0.15860 -0.07713 -0.04075 15 4YZ 0.03976 0.18807 0.08437 0.15004 -0.06894 16 2 C 1S -0.00013 -0.00262 -0.00344 0.00581 0.00037 17 2S 0.11762 0.10919 0.20833 0.31585 0.13555 18 2PX -0.05792 -0.21833 -0.00480 -0.01586 0.01607 19 2PY -0.07314 0.00680 -0.01025 -0.11365 -0.21798 20 2PZ 0.01381 0.05408 0.08245 0.00505 -0.01437 21 3S 0.27009 0.48032 -0.85920 -0.16298 0.05287 22 3PX -0.32164 0.42434 0.55357 0.05314 -0.10785 23 3PY -0.12655 0.40010 0.40004 0.35840 0.23029 24 3PZ 0.56340 -0.14108 -0.93322 -0.26813 0.14245 25 4XX -0.09355 -0.12254 -0.06531 -0.10431 0.35832 26 4YY 0.08760 0.03052 0.03724 -0.12144 -0.43306 27 4ZZ 0.06318 0.13801 -0.03927 0.21583 0.13672 28 4XY -0.06782 0.09581 0.02851 0.01434 -0.02731 29 4XZ 0.14719 0.36615 -0.15776 -0.07699 -0.04075 30 4YZ 0.03971 -0.18829 0.08380 -0.15016 0.06889 31 3 C 1S -0.00001 -0.03844 -0.00006 -0.03337 -0.02133 32 2S -0.00004 -0.27273 -0.00040 -0.17222 0.06534 33 2PX 0.00004 0.05851 0.00010 0.05631 0.11811 34 2PY -0.28700 0.00028 -0.18106 0.00008 0.00003 35 2PZ -0.00001 0.04164 0.00005 0.00955 -0.13652 36 3S 0.00034 1.26524 0.00194 1.06603 0.80284 37 3PX 0.00003 0.21514 0.00033 0.16368 -0.28772 38 3PY 0.17169 -0.00011 0.08602 -0.00006 0.00001 39 3PZ -0.00003 -0.43159 -0.00042 0.27426 -0.56984 40 4XX -0.00001 0.11759 0.00009 -0.10942 0.06190 41 4YY -0.00003 -0.22038 -0.00032 -0.20043 0.03688 42 4ZZ 0.00003 0.10187 0.00025 0.36447 -0.07729 43 4XY 0.59533 -0.00049 0.32214 -0.00016 -0.00004 44 4XZ 0.00005 -0.01922 0.00002 0.07403 0.43829 45 4YZ -0.23791 0.00022 -0.14659 0.00003 0.00006 46 4 O 1S -0.02357 -0.00459 0.00009 -0.00235 0.02093 47 2S 0.04087 0.48979 0.33252 0.22931 0.15449 48 2PX -0.22158 0.13715 -0.07811 -0.06080 -0.18404 49 2PY 0.16823 0.09214 0.17445 0.04733 0.01814 50 2PZ 0.10051 -0.13857 -0.00955 0.03962 0.00366 51 3S 0.44196 -0.92093 -0.90228 -0.41868 -0.64815 52 3PX 0.39428 -0.09946 -0.04971 0.16848 0.32948 53 3PY -0.06760 -0.19150 -0.30021 -0.08259 -0.22352 54 3PZ -0.17563 0.18670 0.09287 -0.13894 0.14590 55 4XX -0.02038 0.00880 0.06580 0.02139 -0.03532 56 4YY -0.08977 0.17738 -0.00812 0.08598 0.05411 57 4ZZ 0.07286 -0.00103 0.09458 -0.03894 0.08673 58 4XY 0.25574 0.04641 0.05305 0.07985 0.16892 59 4XZ 0.08364 0.17486 0.04019 0.09860 -0.10850 60 4YZ -0.06874 -0.01635 -0.04345 -0.16708 0.14124 61 5 H 1S -0.15500 -0.26003 0.15161 -0.24626 0.08953 62 2S -0.16014 -0.21260 0.30004 -0.08138 -0.01845 63 6 H 1S 0.15491 -0.25965 -0.15244 -0.24615 0.08955 64 2S 0.16009 -0.21184 -0.30065 -0.08121 -0.01839 65 7 H 1S -0.00006 -0.22446 -0.00032 -0.12347 -0.51858 66 2S -0.00004 -0.19378 -0.00023 0.00295 -0.20156 67 8 O 1S 0.02357 -0.00460 -0.00010 -0.00235 0.02093 68 2S -0.04065 0.49067 -0.33112 0.22955 0.15461 69 2PX 0.22158 0.13689 0.07840 -0.06087 -0.18404 70 2PY 0.16821 -0.09263 0.17419 -0.04750 -0.01818 71 2PZ -0.10051 -0.13856 0.00926 0.03963 0.00367 72 3S -0.44246 -0.92314 0.89964 -0.41916 -0.64854 73 3PX -0.39425 -0.09950 0.04956 0.16852 0.32938 74 3PY -0.06750 0.19230 -0.29967 0.08284 0.22360 75 3PZ 0.17565 0.18688 -0.09254 -0.13891 0.14593 76 4XX 0.02038 0.00897 -0.06577 0.02144 -0.03529 77 4YY 0.08986 0.17731 0.00863 0.08591 0.05415 78 4ZZ -0.07286 -0.00074 -0.09462 -0.03882 0.08671 79 4XY 0.25570 -0.04663 0.05289 -0.07992 -0.16892 80 4XZ -0.08355 0.17497 -0.03969 0.09863 -0.10853 81 4YZ -0.06869 0.01652 -0.04327 0.16713 -0.14120 82 9 H 1S -0.00007 -0.14068 -0.00034 -0.42745 0.21730 83 2S -0.00001 0.04196 0.00000 -0.14284 0.01804 84 10 C 1S 0.00521 -0.00912 -0.01021 0.01048 0.00451 85 2S 0.16805 -0.05550 -0.45321 0.05756 0.13643 86 2PX 0.02964 0.00732 -0.03147 0.05745 0.02364 87 2PY 0.01965 0.04941 0.08756 -0.13762 -0.01502 88 2PZ -0.06788 0.00308 0.12948 -0.01378 -0.02530 89 3S -0.57492 0.51012 1.61079 -0.50046 0.02094 90 3PX -0.16716 -0.06264 0.23824 -0.05972 -0.04217 91 3PY 0.11725 0.02402 -0.72151 0.12804 0.02152 92 3PZ 0.43397 -0.10575 -0.72385 0.11172 0.06467 93 4XX -0.01749 -0.04515 -0.01136 0.14843 0.13746 94 4YY 0.03050 0.03415 -0.09961 -0.15860 -0.07025 95 4ZZ 0.00098 0.00270 0.12519 0.04445 -0.03682 96 4XY -0.07739 -0.07143 0.07092 0.17774 -0.00420 97 4XZ 0.00843 -0.01098 -0.02997 0.10601 -0.00938 98 4YZ 0.00849 0.22069 0.09739 -0.31571 0.15628 99 11 C 1S -0.00059 0.01474 -0.00633 0.00006 0.00460 100 2S -0.18425 0.45837 0.19351 -0.51479 0.22289 101 2PX -0.04825 -0.06386 0.13141 0.00113 -0.08242 102 2PY 0.06251 -0.08350 -0.04446 0.17158 -0.04166 103 2PZ 0.07035 0.05244 -0.12466 -0.05507 0.09131 104 3S 0.44557 -1.01921 -0.65557 0.77531 -0.39481 105 3PX 0.18198 0.21376 -0.51773 0.00050 0.05747 106 3PY -0.10502 0.38839 0.61787 -0.63658 0.20547 107 3PZ 0.04633 0.00677 0.13105 0.17948 -0.02598 108 4XX 0.04968 0.01201 -0.16391 0.04152 -0.02360 109 4YY 0.07471 0.08614 0.13793 -0.07811 0.10054 110 4ZZ -0.09549 -0.10928 0.00838 0.04603 -0.08266 111 4XY -0.17711 -0.05914 0.26637 0.04092 0.03979 112 4XZ -0.08101 -0.05928 0.16270 -0.13513 -0.05217 113 4YZ 0.01992 0.03178 -0.12952 -0.06069 0.09205 114 12 C 1S -0.00109 0.00142 -0.01904 0.01319 -0.00752 115 2S -0.28246 -0.11402 0.29316 -0.03650 -0.18247 116 2PX 0.10854 -0.05565 -0.18738 0.06104 0.01913 117 2PY 0.01492 0.06360 0.02677 -0.03850 0.05955 118 2PZ -0.04212 -0.01776 0.10357 -0.02971 -0.00698 119 3S 0.41143 0.30522 0.33054 -0.27615 0.28752 120 3PX -0.47174 -0.10187 0.56341 0.00269 -0.15065 121 3PY -0.23151 -0.07735 -0.01842 0.06379 -0.08677 122 3PZ -0.19392 0.08507 0.35638 -0.03675 0.13936 123 4XX 0.00103 -0.11605 0.02632 0.07242 0.02103 124 4YY -0.04596 0.12606 0.08950 0.02601 0.04525 125 4ZZ 0.07367 -0.01271 -0.14672 -0.06928 -0.07488 126 4XY 0.10745 -0.04971 -0.12039 -0.09311 -0.00908 127 4XZ -0.13504 -0.10833 0.22172 -0.12204 -0.09123 128 4YZ 0.04300 -0.10010 -0.22052 0.13418 0.02454 129 13 C 1S 0.00109 0.00138 0.01905 0.01317 -0.00751 130 2S 0.28242 -0.11336 -0.29351 -0.03636 -0.18245 131 2PX -0.10855 -0.05607 0.18729 0.06090 0.01916 132 2PY 0.01489 -0.06368 0.02666 0.03849 -0.05955 133 2PZ 0.04212 -0.01755 -0.10363 -0.02961 -0.00700 134 3S -0.41131 0.30592 -0.32992 -0.27554 0.28715 135 3PX 0.47167 -0.10056 -0.56363 0.00299 -0.15057 136 3PY -0.23146 0.07740 -0.01828 -0.06369 0.08667 137 3PZ 0.19392 0.08596 -0.35613 -0.03652 0.13935 138 4XX -0.00111 -0.11597 -0.02648 0.07243 0.02104 139 4YY 0.04601 0.12625 -0.08915 0.02612 0.04525 140 4ZZ -0.07365 -0.01304 0.14654 -0.06942 -0.07489 141 4XY 0.10746 0.04994 -0.12019 0.09322 0.00907 142 4XZ 0.13506 -0.10787 -0.22217 -0.12184 -0.09122 143 4YZ 0.04305 0.10062 -0.22042 -0.13401 -0.02454 144 14 C 1S 0.00060 0.01473 0.00637 0.00006 0.00459 145 2S 0.18440 0.45878 -0.19277 -0.51457 0.22272 146 2PX 0.04823 -0.06356 -0.13157 0.00122 -0.08240 147 2PY 0.06256 0.08358 -0.04443 -0.17153 0.04163 148 2PZ -0.07031 0.05219 0.12473 -0.05520 0.09134 149 3S -0.44597 -1.02066 0.65362 0.77451 -0.39421 150 3PX -0.18192 0.21258 0.51821 0.00011 0.05743 151 3PY -0.10516 -0.38981 0.61737 0.63599 -0.20525 152 3PZ -0.04638 0.00692 -0.13073 0.17972 -0.02606 153 4XX -0.04966 0.01164 0.16395 0.04139 -0.02354 154 4YY -0.07471 0.08651 -0.13770 -0.07803 0.10053 155 4ZZ 0.09547 -0.10929 -0.00869 0.04606 -0.08269 156 4XY -0.17712 0.05853 0.26659 -0.04108 -0.03978 157 4XZ 0.08095 -0.05888 -0.16288 -0.13501 -0.05215 158 4YZ 0.01986 -0.03150 -0.12956 0.06078 -0.09207 159 15 C 1S -0.00521 -0.00914 0.01019 0.01047 0.00451 160 2S -0.16811 -0.05651 0.45321 0.05721 0.13653 161 2PX -0.02964 0.00726 0.03152 0.05742 0.02364 162 2PY 0.01961 -0.04962 0.08759 0.13756 0.01504 163 2PZ 0.06790 0.00334 -0.12950 -0.01366 -0.02533 164 3S 0.57516 0.51380 -1.61002 -0.49912 0.02051 165 3PX 0.16714 -0.06210 -0.23839 -0.05952 -0.04220 166 3PY 0.11734 -0.02237 -0.72181 -0.12752 -0.02158 167 3PZ -0.43403 -0.10738 0.72358 0.11109 0.06485 168 4XX 0.01747 -0.04517 0.01137 0.14844 0.13744 169 4YY -0.03047 0.03400 0.09950 -0.15879 -0.07018 170 4ZZ -0.00099 0.00291 -0.12509 0.04465 -0.03688 171 4XY -0.07737 0.07127 0.07095 -0.17781 0.00421 172 4XZ -0.00846 -0.01101 0.03005 0.10593 -0.00933 173 4YZ 0.00839 -0.22093 0.09716 0.31560 -0.15630 174 16 H 1S -0.04981 -0.17195 -0.03580 0.27126 -0.08789 175 2S -0.11066 -0.01421 0.22745 -0.09437 0.00322 176 17 H 1S -0.10070 -0.03004 -0.15746 0.11902 -0.04984 177 2S 0.03326 -0.01634 -0.14286 0.11903 -0.03537 178 18 H 1S -0.07767 -0.02732 0.01522 0.12871 0.04161 179 2S -0.10552 -0.02578 0.16143 -0.00538 0.01919 180 19 H 1S 0.07765 -0.02726 -0.01515 0.12867 0.04163 181 2S 0.10550 -0.02536 -0.16147 -0.00529 0.01920 182 20 H 1S 0.10070 -0.03044 0.15745 0.11891 -0.04983 183 2S -0.03327 -0.01667 0.14288 0.11893 -0.03536 184 21 H 1S 0.04974 -0.17204 0.03561 0.27123 -0.08786 185 2S 0.11066 -0.01370 -0.22755 -0.09418 0.00319 186 22 H 1S 0.07554 0.12400 -0.18203 0.04281 0.00664 187 2S 0.14407 -0.06759 -0.17566 0.03256 0.00145 188 23 H 1S -0.07550 0.12359 0.18237 0.04268 0.00665 189 2S -0.14406 -0.06800 0.17548 0.03243 0.00144 146 147 148 149 150 V V V V V Eigenvalues -- 2.07782 2.09881 2.11357 2.18123 2.18372 1 1 C 1S 0.00576 -0.02894 0.00776 0.02869 0.02948 2 2S 0.00897 -0.76548 -0.02353 0.46043 0.64118 3 2PX 0.09151 -0.11845 -0.03413 -0.15827 -0.04739 4 2PY -0.00975 0.02292 -0.03316 -0.03146 0.21268 5 2PZ -0.02819 -0.09460 -0.00280 0.19464 0.08624 6 3S -0.24885 2.89468 -0.16337 -1.89573 -0.67037 7 3PX -0.25283 -0.01970 0.13974 0.99584 0.25813 8 3PY 0.14646 0.70055 0.10255 -1.06068 -0.44821 9 3PZ 0.13807 1.03933 -0.05131 -1.16620 -0.54621 10 4XX 0.00951 0.16357 0.00841 -0.06239 0.16222 11 4YY 0.01773 0.00194 0.04620 0.00361 -0.24321 12 4ZZ -0.03180 -0.03688 -0.02885 0.09707 0.08479 13 4XY 0.06293 -0.14643 0.05345 0.18441 0.08425 14 4XZ -0.01771 0.17501 0.13932 0.41966 0.14932 15 4YZ -0.10726 -0.08399 0.01967 0.15725 0.10910 16 2 C 1S 0.00577 0.02893 0.00779 -0.02876 0.02942 17 2S 0.00921 0.76550 -0.02292 -0.46194 0.64014 18 2PX 0.09154 0.11843 -0.03403 0.15839 -0.04700 19 2PY 0.00975 0.02284 0.03317 -0.03092 -0.21276 20 2PZ -0.02816 0.09461 -0.00271 -0.19485 0.08576 21 3S -0.24982 -2.89427 -0.16550 1.89730 -0.66618 22 3PX -0.25284 0.01970 0.13976 -0.99643 0.25576 23 3PY -0.14615 0.70094 -0.10206 -1.06189 0.44582 24 3PZ 0.13773 -1.03926 -0.05207 1.16738 -0.54351 25 4XX 0.00945 -0.16350 0.00826 0.06196 0.16237 26 4YY 0.01772 -0.00206 0.04621 -0.00303 -0.24321 27 4ZZ -0.03178 0.03692 -0.02882 -0.09724 0.08453 28 4XY -0.06298 -0.14633 -0.05359 0.18464 -0.08385 29 4XZ -0.01779 -0.17512 0.13923 -0.41999 0.14825 30 4YZ 0.10723 -0.08402 -0.01975 0.15747 -0.10876 31 3 C 1S 0.01866 -0.00001 0.00407 0.00004 -0.03080 32 2S 0.03157 0.00007 -0.22078 0.00051 -0.43030 33 2PX -0.05180 0.00006 -0.08212 0.00000 0.00016 34 2PY -0.00002 -0.03415 -0.00001 -0.05470 -0.00007 35 2PZ 0.01729 -0.00003 0.03871 -0.00001 0.00804 36 3S -0.51425 0.00023 0.03353 -0.00131 1.07742 37 3PX 0.07716 -0.00021 0.42126 -0.00078 0.65770 38 3PY 0.00000 0.09436 0.00004 -0.02362 0.00002 39 3PZ 0.25700 -0.00016 0.06389 0.00054 -0.43047 40 4XX -0.00242 -0.00004 0.11633 -0.00045 0.36757 41 4YY 0.11649 -0.00009 0.18314 -0.00036 0.27662 42 4ZZ -0.11491 0.00013 -0.30150 0.00082 -0.64638 43 4XY 0.00002 -0.02021 0.00001 0.21556 0.00028 44 4XZ -0.14207 0.00019 -0.25579 0.00024 -0.20960 45 4YZ -0.00005 -0.23792 -0.00008 0.44911 0.00054 46 4 O 1S 0.00550 0.00816 0.00315 -0.02039 0.01567 47 2S -0.23106 0.33243 -0.12515 0.13950 -0.13005 48 2PX -0.02414 0.08179 0.09786 0.11831 0.04711 49 2PY -0.04983 0.03863 -0.07315 0.09856 -0.11764 50 2PZ 0.01673 0.01075 -0.01535 -0.13587 -0.04575 51 3S 0.32572 -1.10276 0.16881 0.60018 0.03687 52 3PX -0.00415 -0.45922 -0.08014 0.11436 0.23730 53 3PY 0.07790 -0.17829 0.05959 0.03150 0.03145 54 3PZ -0.03381 0.04656 -0.07424 0.14762 0.00009 55 4XX 0.09913 0.04727 0.09352 -0.18083 0.18939 56 4YY -0.07661 0.12086 -0.02461 0.04094 -0.01801 57 4ZZ -0.07083 -0.02963 -0.08819 0.13101 -0.15079 58 4XY -0.06346 -0.01707 -0.07983 0.13619 0.01755 59 4XZ 0.01971 -0.05394 0.03820 0.16278 0.15460 60 4YZ -0.03507 -0.11025 -0.03180 0.27255 -0.04291 61 5 H 1S 0.16208 0.01985 0.03470 -0.15628 -0.06321 62 2S 0.11915 0.14073 0.01714 -0.49053 -0.22463 63 6 H 1S 0.16205 -0.01996 0.03470 0.15639 -0.06283 64 2S 0.11909 -0.14084 0.01703 0.49109 -0.22347 65 7 H 1S 0.22769 -0.00022 0.24607 -0.00004 0.05394 66 2S 0.11559 -0.00009 0.09602 0.00008 -0.06357 67 8 O 1S 0.00550 -0.00816 0.00314 0.02035 0.01572 68 2S -0.23119 -0.33214 -0.12537 -0.13919 -0.13045 69 2PX -0.02417 -0.08189 0.09782 -0.11841 0.04681 70 2PY 0.04986 0.03854 0.07317 0.09826 0.11791 71 2PZ 0.01672 -0.01075 -0.01537 0.13598 -0.04541 72 3S 0.32606 1.10223 0.16957 -0.60024 0.03557 73 3PX -0.00402 0.45933 -0.07982 -0.11493 0.23710 74 3PY -0.07800 -0.17814 -0.05970 0.03157 -0.03140 75 3PZ -0.03379 -0.04645 -0.07427 -0.14761 -0.00027 76 4XX 0.09912 -0.04740 0.09346 0.18039 0.18982 77 4YY -0.07664 -0.12076 -0.02470 -0.04094 -0.01814 78 4ZZ -0.07084 0.02973 -0.08813 -0.13062 -0.15109 79 4XY 0.06346 -0.01720 0.07983 0.13625 -0.01724 80 4XZ 0.01973 0.05388 0.03824 -0.16313 0.15419 81 4YZ 0.03503 -0.11032 0.03171 0.27245 0.04354 82 9 H 1S 0.04576 -0.00004 0.11319 -0.00039 0.31253 83 2S -0.04622 0.00003 -0.02947 0.00002 -0.02109 84 10 C 1S 0.02663 0.00195 0.00623 0.01261 -0.00522 85 2S 0.33970 0.27202 0.33498 0.21451 -0.22688 86 2PX 0.00512 0.02687 0.01680 0.00061 0.01294 87 2PY -0.08340 -0.04637 -0.14023 -0.00335 0.03801 88 2PZ -0.04525 -0.14357 -0.03919 -0.06372 0.04004 89 3S -0.87009 -0.87601 -0.15122 -0.61097 -0.04260 90 3PX -0.17075 -0.03716 0.03074 -0.03778 0.03188 91 3PY 0.02484 0.07547 0.18895 0.36661 -0.16296 92 3PZ 0.54226 0.35434 0.12246 0.18115 -0.16574 93 4XX 0.23697 0.08395 0.23595 0.01534 -0.00665 94 4YY -0.02871 0.10301 -0.29336 0.02158 0.03583 95 4ZZ -0.17619 -0.13771 0.10149 -0.02595 -0.01714 96 4XY 0.00479 0.06095 0.03394 0.08874 0.07672 97 4XZ 0.20503 0.23159 -0.11725 0.01907 0.08777 98 4YZ 0.11656 0.04101 0.09905 0.01439 -0.15291 99 11 C 1S -0.01122 -0.02604 0.00400 0.00985 -0.00957 100 2S -0.18355 -0.37199 -0.02303 0.02700 -0.20625 101 2PX -0.08799 0.08543 -0.05790 -0.05897 0.05221 102 2PY -0.02342 -0.05581 0.03378 0.01829 0.04112 103 2PZ 0.17743 0.06324 0.09846 0.07619 -0.08079 104 3S 0.92242 1.45754 -0.02935 -0.20815 0.36767 105 3PX 0.21542 -0.33212 -0.21379 0.09914 -0.12262 106 3PY -0.52879 -0.37082 0.22151 0.00022 -0.18680 107 3PZ 0.11617 -0.31029 -0.10738 -0.15531 0.08781 108 4XX 0.35921 0.22513 -0.07072 0.01218 -0.09757 109 4YY -0.18781 -0.14126 0.13502 -0.02314 0.01662 110 4ZZ -0.09857 -0.00948 -0.08623 0.01801 0.09496 111 4XY -0.17905 0.11063 0.08072 -0.05740 0.13032 112 4XZ -0.04877 0.24322 -0.06861 0.04755 0.00462 113 4YZ -0.06566 0.28370 0.07461 0.05167 0.06151 114 12 C 1S 0.02150 0.01303 -0.00922 -0.01409 0.00379 115 2S -0.34257 0.04297 -0.06430 -0.29364 0.12574 116 2PX 0.08349 0.04461 -0.00266 0.05943 -0.01194 117 2PY 0.08857 0.04307 0.01195 0.01026 -0.03249 118 2PZ -0.11464 -0.02509 0.03431 -0.01129 0.00195 119 3S -0.23157 -0.72763 0.22038 0.72382 -0.16213 120 3PX -0.28098 0.20096 0.15608 -0.30223 0.01891 121 3PY -0.19507 0.09837 -0.03560 -0.25810 0.08991 122 3PZ -0.14623 -0.12916 0.42361 0.00502 -0.19039 123 4XX -0.08170 -0.03378 0.28314 0.01391 -0.23823 124 4YY 0.25274 -0.07667 -0.02926 -0.03491 -0.02211 125 4ZZ -0.09748 0.12712 -0.28101 0.05376 0.25419 126 4XY -0.27464 0.19859 0.16397 0.08705 -0.06603 127 4XZ -0.16647 0.11212 -0.19491 -0.05879 0.09790 128 4YZ -0.15364 0.08840 0.29412 0.08352 -0.05534 129 13 C 1S 0.02149 -0.01303 -0.00923 0.01408 0.00382 130 2S -0.34260 -0.04285 -0.06430 0.29334 0.12640 131 2PX 0.08346 -0.04463 -0.00267 -0.05941 -0.01210 132 2PY -0.08855 0.04309 -0.01189 0.01019 0.03250 133 2PZ -0.11463 0.02509 0.03431 0.01128 0.00201 134 3S -0.23110 0.72757 0.22064 -0.72343 -0.16344 135 3PX -0.28091 -0.20106 0.15585 0.30220 0.01957 136 3PY 0.19521 0.09830 0.03555 -0.25786 -0.09043 137 3PZ -0.14609 0.12887 0.42379 -0.00458 -0.19046 138 4XX -0.08174 0.03354 0.28326 -0.01338 -0.23833 139 4YY 0.25279 0.07664 -0.02913 0.03496 -0.02204 140 4ZZ -0.09749 -0.12687 -0.28129 -0.05433 0.25415 141 4XY 0.27466 0.19863 -0.16364 0.08689 0.06613 142 4XZ -0.16650 -0.11189 -0.19493 0.05855 0.09800 143 4YZ 0.15372 0.08864 -0.29399 0.08340 0.05548 144 14 C 1S -0.01121 0.02604 0.00401 -0.00983 -0.00958 145 2S -0.18342 0.37220 -0.02292 -0.02654 -0.20611 146 2PX -0.08802 -0.08537 -0.05798 0.05885 0.05235 147 2PY 0.02336 -0.05575 -0.03389 0.01839 -0.04103 148 2PZ 0.17742 -0.06338 0.09841 -0.07598 -0.08101 149 3S 0.92187 -1.45812 -0.02998 0.20724 0.36746 150 3PX 0.21539 0.33232 -0.21345 -0.09884 -0.12288 151 3PY 0.52843 -0.37100 -0.22134 -0.00025 0.18636 152 3PZ 0.11631 0.31020 -0.10701 0.15508 0.08817 153 4XX 0.35903 -0.22518 -0.07087 -0.01194 -0.09765 154 4YY -0.18765 0.14114 0.13507 0.02310 0.01671 155 4ZZ -0.09857 0.00965 -0.08620 -0.01823 0.09490 156 4XY 0.17911 0.11066 -0.08064 -0.05712 -0.13046 157 4XZ -0.04879 -0.24319 -0.06886 -0.04761 0.00448 158 4YZ 0.06571 0.28375 -0.07424 0.05181 -0.06145 159 15 C 1S 0.02663 -0.00197 0.00624 -0.01260 -0.00525 160 2S 0.33954 -0.27245 0.33473 -0.21399 -0.22742 161 2PX 0.00510 -0.02688 0.01677 -0.00063 0.01294 162 2PY 0.08336 -0.04657 0.14020 -0.00327 -0.03801 163 2PZ -0.04519 0.14361 -0.03898 0.06362 0.04017 164 3S -0.86939 0.87662 -0.15110 0.61114 -0.04044 165 3PX -0.17066 0.03720 0.03062 0.03770 0.03210 166 3PY -0.02472 0.07569 -0.18908 0.36623 0.16408 167 3PZ 0.54204 -0.35464 0.12239 -0.18072 -0.16648 168 4XX 0.23696 -0.08427 0.23584 -0.01531 -0.00669 169 4YY -0.02872 -0.10270 -0.29346 -0.02168 0.03576 170 4ZZ -0.17618 0.13766 0.10162 0.02598 -0.01704 171 4XY -0.00482 0.06102 -0.03383 0.08890 -0.07654 172 4XZ 0.20489 -0.23162 -0.11743 -0.01929 0.08770 173 4YZ -0.11656 0.04102 -0.09907 0.01402 0.15297 174 16 H 1S 0.05698 0.15350 -0.10684 0.02103 0.17811 175 2S -0.12347 -0.05402 -0.00379 -0.06348 0.03082 176 17 H 1S 0.11466 0.05367 -0.14767 0.02684 0.01521 177 2S 0.15986 -0.08830 -0.08753 0.03791 0.01540 178 18 H 1S -0.03993 -0.01043 0.38507 -0.04790 -0.18764 179 2S -0.01017 0.01246 0.04935 -0.05444 -0.01494 180 19 H 1S -0.03992 0.01012 0.38512 0.04835 -0.18758 181 2S -0.01014 -0.01249 0.04940 0.05448 -0.01486 182 20 H 1S 0.11452 -0.05357 -0.14762 -0.02688 0.01510 183 2S 0.15983 0.08828 -0.08735 -0.03795 0.01523 184 21 H 1S 0.05689 -0.15348 -0.10699 -0.02145 0.17809 185 2S -0.12340 0.05407 -0.00383 0.06340 0.03107 186 22 H 1S 0.31302 -0.06335 -0.25209 -0.03112 0.12823 187 2S 0.07925 0.07997 -0.08660 0.07609 0.01751 188 23 H 1S 0.31302 0.06348 -0.25200 0.03083 0.12828 189 2S 0.07916 -0.07992 -0.08667 -0.07613 0.01734 151 152 153 154 155 V V V V V Eigenvalues -- 2.23785 2.26190 2.27823 2.27963 2.31629 1 1 C 1S 0.01493 0.00356 0.01775 0.01602 -0.00403 2 2S 0.27142 0.31998 0.13295 0.31348 0.15415 3 2PX -0.02217 -0.03452 0.07144 -0.03331 -0.05162 4 2PY -0.03736 0.14705 0.10698 -0.01059 0.00857 5 2PZ 0.05501 0.06931 -0.01750 0.03511 0.07481 6 3S -0.87045 -0.06821 -0.33552 -1.37924 -0.27113 7 3PX 0.17272 0.29401 0.21202 0.07850 0.39889 8 3PY -0.18003 -0.40668 -0.11487 -0.43384 -0.34131 9 3PZ -0.28381 -0.23829 -0.05160 -0.47140 -0.22021 10 4XX -0.07185 0.00515 -0.28111 -0.07894 -0.09090 11 4YY -0.03117 -0.19697 -0.10296 -0.01292 0.01279 12 4ZZ 0.09167 0.16767 0.42927 0.05232 0.04893 13 4XY -0.17028 -0.08312 -0.13917 -0.15396 -0.14709 14 4XZ 0.19336 0.05485 0.02402 -0.02637 0.22286 15 4YZ -0.09583 0.03713 -0.00826 -0.13040 -0.07104 16 2 C 1S -0.01494 0.00357 0.01778 -0.01598 0.00403 17 2S -0.27152 0.32012 0.13359 -0.31294 -0.15404 18 2PX 0.02217 -0.03454 0.07139 0.03343 0.05165 19 2PY -0.03732 -0.14705 -0.10694 -0.01090 0.00859 20 2PZ -0.05501 0.06931 -0.01744 -0.03510 -0.07482 21 3S 0.87059 -0.06884 -0.33843 1.37844 0.27108 22 3PX -0.17270 0.29408 0.21220 -0.07795 -0.39899 23 3PY -0.18012 0.40687 0.11578 -0.43338 -0.34127 24 3PZ 0.28386 -0.23845 -0.05259 0.47108 0.21999 25 4XX 0.07184 0.00509 -0.28128 0.07840 0.09106 26 4YY 0.03119 -0.19696 -0.10298 0.01261 -0.01271 27 4ZZ -0.09167 0.16771 0.42938 -0.05141 -0.04925 28 4XY -0.17024 0.08325 0.13942 -0.15366 -0.14719 29 4XZ -0.19337 0.05488 0.02396 0.02642 -0.22285 30 4YZ -0.09581 -0.03706 0.00844 -0.13041 -0.07113 31 3 C 1S 0.00000 -0.02077 0.00189 -0.00001 0.00000 32 2S 0.00003 -0.16599 -0.25821 -0.00030 0.00001 33 2PX 0.00000 0.04630 -0.09845 -0.00007 0.00001 34 2PY -0.01198 0.00000 -0.00001 0.00287 -0.00334 35 2PZ 0.00000 0.00935 0.03888 0.00004 -0.00002 36 3S -0.00005 0.59083 0.04535 0.00026 0.00002 37 3PX -0.00004 0.13823 0.11291 0.00017 0.00009 38 3PY 0.02061 0.00003 0.00005 -0.01962 0.07511 39 3PZ 0.00000 -0.51430 -0.29773 -0.00044 0.00015 40 4XX -0.00002 0.09862 -0.16275 -0.00011 0.00014 41 4YY 0.00001 0.13461 0.16136 0.00021 0.00002 42 4ZZ 0.00000 -0.25353 0.02380 -0.00008 -0.00014 43 4XY -0.06887 0.00002 0.00005 -0.02984 -0.01255 44 4XZ 0.00001 -0.12394 -0.41530 -0.00044 0.00018 45 4YZ -0.30610 0.00012 0.00015 -0.18064 -0.26788 46 4 O 1S -0.01239 0.00446 -0.00623 -0.00404 -0.01623 47 2S 0.03740 -0.00536 -0.18312 -0.11886 0.13119 48 2PX 0.06425 0.03375 0.06769 -0.03169 0.09280 49 2PY 0.05316 -0.03863 -0.05776 0.02378 0.06827 50 2PZ -0.02211 -0.04168 -0.02267 -0.01173 -0.02139 51 3S 0.28084 -0.04626 0.43678 0.47505 0.11586 52 3PX 0.01123 0.09505 0.00088 0.18759 -0.12809 53 3PY -0.01962 0.01282 0.15673 0.03110 -0.01874 54 3PZ -0.11914 0.05786 -0.08981 -0.06449 -0.08303 55 4XX 0.02299 -0.11834 -0.39496 0.04661 -0.02078 56 4YY -0.06195 -0.00242 -0.03025 -0.08234 -0.00982 57 4ZZ 0.02281 0.12611 0.36593 0.01412 0.00311 58 4XY -0.08471 0.00364 -0.07810 -0.07091 -0.08443 59 4XZ 0.15851 -0.00919 -0.30368 0.16299 0.12827 60 4YZ -0.12164 0.04277 0.14719 -0.05254 -0.12236 61 5 H 1S 0.04525 -0.13405 -0.09957 0.01098 -0.03294 62 2S -0.06055 -0.12918 0.02331 -0.07256 -0.17656 63 6 H 1S -0.04525 -0.13403 -0.09956 -0.01126 0.03294 64 2S 0.06055 -0.12920 0.02316 0.07253 0.17646 65 7 H 1S -0.00001 -0.03514 0.21432 0.00019 -0.00008 66 2S -0.00001 -0.19390 -0.14014 -0.00019 0.00012 67 8 O 1S 0.01239 0.00445 -0.00624 0.00403 0.01622 68 2S -0.03738 -0.00542 -0.18339 0.11850 -0.13111 69 2PX -0.06424 0.03374 0.06762 0.03183 -0.09279 70 2PY 0.05315 0.03862 0.05774 0.02392 0.06829 71 2PZ 0.02212 -0.04168 -0.02269 0.01166 0.02141 72 3S -0.28085 -0.04599 0.43780 -0.47426 -0.11592 73 3PX -0.01127 0.09513 0.00129 -0.18750 0.12811 74 3PY -0.01962 -0.01282 -0.15681 0.03079 -0.01877 75 3PZ 0.11914 0.05779 -0.08995 0.06436 0.08298 76 4XX -0.02303 -0.11830 -0.39488 -0.04741 0.02110 77 4YY 0.06196 -0.00247 -0.03038 0.08227 0.00982 78 4ZZ -0.02278 0.12611 0.36593 -0.01336 -0.00349 79 4XY -0.08468 -0.00358 0.07823 -0.07076 -0.08451 80 4XZ -0.15854 -0.00908 -0.30336 -0.16356 -0.12809 81 4YZ -0.12165 -0.04271 -0.14715 -0.05283 -0.12210 82 9 H 1S -0.00001 0.17703 -0.00072 0.00005 0.00005 83 2S 0.00001 0.09361 0.15836 0.00017 -0.00009 84 10 C 1S 0.00647 -0.00848 -0.00417 -0.02784 0.00783 85 2S 0.14715 -0.39000 0.05072 -0.38704 0.16086 86 2PX -0.02352 -0.01839 0.03644 -0.07376 0.01290 87 2PY -0.03850 0.09390 -0.00202 -0.07258 0.00568 88 2PZ 0.03570 0.09667 -0.04408 0.05668 0.06064 89 3S -1.50094 0.42961 0.05273 2.98712 -1.41648 90 3PX -0.45521 -0.09576 0.01868 0.60660 0.09638 91 3PY 0.53525 -0.04479 0.07328 -1.03316 0.66566 92 3PZ 0.43712 -0.26799 0.05294 -1.62223 0.77848 93 4XX -0.25725 -0.27237 0.05677 -0.15000 0.08154 94 4YY -0.02041 0.19187 -0.01932 0.07062 -0.03652 95 4ZZ 0.20403 0.09433 -0.05006 0.11139 -0.12971 96 4XY 0.19428 -0.04918 0.06052 0.39468 -0.33596 97 4XZ 0.20471 0.14871 -0.11363 -0.06674 -0.35843 98 4YZ 0.02501 -0.02057 -0.03430 0.03774 -0.18230 99 11 C 1S -0.00554 0.00534 0.00959 0.03401 -0.00910 100 2S -0.41099 0.13887 -0.07540 0.39066 -0.43263 101 2PX -0.01151 0.03073 -0.00413 -0.00370 0.00152 102 2PY 0.10836 0.00053 0.03924 -0.01188 0.07783 103 2PZ 0.01852 -0.06477 -0.00203 -0.10895 0.08116 104 3S 1.17959 -0.46724 -0.08151 -2.70787 1.25858 105 3PX 0.48247 0.32911 -0.09206 -0.41716 -0.13443 106 3PY -0.98348 -0.22497 -0.01634 1.54143 -0.74929 107 3PZ 0.20222 0.05045 -0.01235 -0.05303 -0.20902 108 4XX 0.17407 0.21919 0.03625 -0.36095 0.08260 109 4YY -0.23217 -0.31154 0.10525 0.07247 -0.01474 110 4ZZ 0.10867 0.07239 -0.10200 0.20753 0.01072 111 4XY -0.24420 -0.18407 0.12521 0.10261 0.24284 112 4XZ 0.04083 0.04986 -0.06672 0.00013 -0.11281 113 4YZ -0.18054 -0.17606 0.04753 0.05661 -0.06959 114 12 C 1S 0.02873 0.01046 -0.00120 -0.03966 -0.00489 115 2S 0.20231 0.03202 -0.03578 -0.26142 0.17716 116 2PX 0.04025 0.03764 -0.00636 -0.06888 0.02007 117 2PY -0.01779 -0.02674 0.00384 -0.02158 -0.08032 118 2PZ -0.05580 0.02807 -0.00784 0.06288 -0.00305 119 3S -1.56417 -0.13298 0.09293 2.23717 -0.71291 120 3PX -0.03488 0.09384 -0.07257 -0.37535 0.17329 121 3PY 0.42483 0.03988 0.02338 -0.42902 -0.10845 122 3PZ -0.23617 -0.12585 0.01101 0.52993 0.13380 123 4XX 0.11335 0.39894 -0.11401 -0.26711 -0.01921 124 4YY -0.04734 0.01873 -0.00762 0.08578 0.17106 125 4ZZ -0.08163 -0.38808 0.13373 0.18324 -0.23233 126 4XY -0.19810 0.12539 -0.07645 0.24109 0.15646 127 4XZ -0.18562 0.08549 -0.06173 -0.08951 -0.19391 128 4YZ -0.20764 0.03065 -0.02834 0.28744 0.10435 129 13 C 1S -0.02873 0.01043 -0.00128 0.03967 0.00486 130 2S -0.20232 0.03188 -0.03633 0.26142 -0.17676 131 2PX -0.04026 0.03759 -0.00651 0.06891 -0.02006 132 2PY -0.01782 0.02677 -0.00381 -0.02152 -0.08008 133 2PZ 0.05584 0.02811 -0.00772 -0.06290 0.00309 134 3S 1.56432 -0.13163 0.09758 -2.23719 0.71320 135 3PX 0.03481 0.09355 -0.07336 0.37532 -0.17367 136 3PY 0.42481 -0.03954 -0.02250 -0.42900 -0.10861 137 3PZ 0.23634 -0.12536 0.01207 -0.53008 -0.13393 138 4XX -0.11327 0.39883 -0.11457 0.26704 0.02000 139 4YY 0.04734 0.01881 -0.00745 -0.08586 -0.17174 140 4ZZ 0.08155 -0.38805 0.13412 -0.18306 0.23206 141 4XY -0.19818 -0.12554 0.07601 0.24122 0.15638 142 4XZ 0.18553 0.08544 -0.06194 0.08950 0.19382 143 4YZ -0.20774 -0.03078 0.02780 0.28761 0.10477 144 14 C 1S 0.00555 0.00536 0.00967 -0.03399 0.00913 145 2S 0.41108 0.13907 -0.07453 -0.39080 0.43288 146 2PX 0.01148 0.03072 -0.00415 0.00372 -0.00153 147 2PY 0.10835 -0.00051 -0.03919 -0.01197 0.07795 148 2PZ -0.01849 -0.06480 -0.00226 0.10890 -0.08130 149 3S -1.17999 -0.46879 -0.08717 2.70766 -1.26007 150 3PX -0.48242 0.32876 -0.09285 0.41708 0.13393 151 3PY -0.98365 0.22417 0.01313 1.54170 -0.75000 152 3PZ -0.20249 0.05046 -0.01245 0.05337 0.20859 153 4XX -0.17410 0.21903 0.03556 0.36125 -0.08120 154 4YY 0.23224 -0.31157 0.10540 -0.07249 0.01467 155 4ZZ -0.10872 0.07253 -0.10161 -0.20772 -0.01208 156 4XY -0.24425 0.18395 -0.12537 0.10243 0.24175 157 4XZ -0.04082 0.04990 -0.06670 -0.00030 0.11187 158 4YZ -0.18052 0.17599 -0.04762 0.05670 -0.06909 159 15 C 1S -0.00647 -0.00849 -0.00422 0.02783 -0.00789 160 2S -0.14708 -0.39017 0.04998 0.38681 -0.16163 161 2PX 0.02353 -0.01842 0.03630 0.07383 -0.01265 162 2PY -0.03847 -0.09390 0.00217 -0.07265 0.00516 163 2PZ -0.03574 0.09669 -0.04400 -0.05669 -0.06055 164 3S 1.50115 0.43094 0.05878 -2.98681 1.41800 165 3PX 0.45518 -0.09539 0.01985 -0.60654 -0.09585 166 3PY 0.53525 0.04521 -0.07121 -1.03351 0.66605 167 3PZ -0.43709 -0.26872 0.04964 1.62201 -0.77895 168 4XX 0.25722 -0.27240 0.05647 0.14995 -0.08170 169 4YY 0.02034 0.19186 -0.01918 -0.07045 0.03744 170 4ZZ -0.20393 0.09437 -0.04982 -0.11153 0.12876 171 4XY 0.19435 0.04898 -0.06136 0.39453 -0.33668 172 4XZ -0.20469 0.14860 -0.11371 0.06662 0.35713 173 4YZ 0.02502 0.02060 0.03419 0.03784 -0.18226 174 16 H 1S 0.02371 -0.00357 -0.00526 0.13777 -0.13557 175 2S -0.16839 0.03380 -0.05053 0.46574 -0.18527 176 17 H 1S 0.20467 0.25655 -0.03137 -0.10120 0.07107 177 2S 0.22799 0.13076 0.00970 -0.32816 0.13279 178 18 H 1S 0.06420 0.21024 -0.07501 -0.05450 0.27858 179 2S 0.03951 -0.12938 -0.01700 -0.00638 0.07739 180 19 H 1S -0.06409 0.21028 -0.07517 0.05439 -0.27868 181 2S -0.03953 -0.12932 -0.01699 0.00629 -0.07751 182 20 H 1S -0.20470 0.25654 -0.03158 0.10133 -0.07086 183 2S -0.22801 0.13058 0.00903 0.32825 -0.13305 184 21 H 1S -0.02377 -0.00353 -0.00497 -0.13774 0.13551 185 2S 0.16839 0.03401 -0.04960 -0.46582 0.18539 186 22 H 1S 0.21134 -0.23743 0.09586 -0.07631 0.00329 187 2S 0.02522 0.05150 0.00414 -0.05054 0.07189 188 23 H 1S -0.21142 -0.23748 0.09573 0.07642 -0.00355 189 2S -0.02523 0.05151 0.00402 0.05061 -0.07153 156 157 158 159 160 V V V V V Eigenvalues -- 2.31862 2.37240 2.41459 2.44860 2.45989 1 1 C 1S 0.00092 0.00843 -0.00474 0.00023 0.01217 2 2S 0.03907 0.36729 0.19117 -0.20313 0.12963 3 2PX 0.01679 -0.01828 -0.02789 -0.02978 -0.03593 4 2PY -0.00413 -0.02382 -0.00947 -0.04387 0.06319 5 2PZ -0.00480 0.07999 0.06929 -0.02467 0.00175 6 3S -0.05848 -1.19227 -0.22159 0.17180 -0.29215 7 3PX -0.05330 0.19465 0.02665 0.07245 0.08998 8 3PY 0.00611 -0.59567 -0.14940 0.01916 -0.03992 9 3PZ -0.04660 -0.35983 -0.08298 0.10362 -0.26615 10 4XX 0.03417 -0.12225 -0.08446 -0.14944 0.21448 11 4YY 0.02141 -0.01837 0.00077 0.06690 -0.04090 12 4ZZ -0.07691 0.06570 0.03476 0.15159 -0.17607 13 4XY 0.03682 -0.06415 -0.01416 -0.02648 0.02731 14 4XZ 0.00076 0.09712 0.02490 -0.08344 0.13315 15 4YZ 0.02131 0.01507 0.01860 -0.00581 0.03199 16 2 C 1S 0.00091 -0.00843 0.00474 0.00022 0.01215 17 2S 0.03964 -0.36733 -0.19118 -0.20344 0.12901 18 2PX 0.01658 0.01830 0.02789 -0.02975 -0.03581 19 2PY 0.00408 -0.02380 -0.00945 0.04384 -0.06319 20 2PZ -0.00453 -0.08000 -0.06928 -0.02474 0.00160 21 3S -0.05965 1.19229 0.22157 0.17300 -0.29033 22 3PX -0.05181 -0.19465 -0.02666 0.07235 0.08980 23 3PY -0.00477 -0.59574 -0.14947 -0.01966 0.03949 24 3PZ -0.04749 0.35981 0.08299 0.10410 -0.26512 25 4XX 0.03386 0.12225 0.08447 -0.14941 0.21459 26 4YY 0.02147 0.01838 -0.00077 0.06693 -0.04092 27 4ZZ -0.07676 -0.06571 -0.03477 0.15158 -0.17605 28 4XY -0.03626 -0.06414 -0.01416 0.02648 -0.02758 29 4XZ 0.00156 -0.09713 -0.02491 -0.08343 0.13323 30 4YZ -0.02103 0.01508 0.01861 0.00585 -0.03227 31 3 C 1S -0.00062 0.00000 0.00000 0.01083 -0.00766 32 2S 0.01192 0.00001 0.00001 -0.07478 -0.05412 33 2PX 0.00222 0.00000 0.00001 -0.07595 0.00541 34 2PY 0.00000 -0.00347 -0.03748 -0.00001 -0.00003 35 2PZ -0.00923 0.00000 0.00000 0.01256 0.00980 36 3S -0.01689 -0.00004 0.00000 -0.27362 0.26625 37 3PX 0.04744 -0.00002 -0.00001 0.04693 -0.01679 38 3PY -0.00014 0.00974 -0.00780 -0.00002 -0.00003 39 3PZ 0.09363 0.00002 0.00001 0.08557 -0.16231 40 4XX 0.06688 -0.00001 0.00000 0.29381 -0.46652 41 4YY -0.00054 0.00001 0.00000 -0.02652 0.07565 42 4ZZ -0.05748 0.00000 0.00000 -0.24237 0.40590 43 4XY 0.00002 -0.08093 -0.05165 -0.00004 0.00001 44 4XZ 0.08192 0.00001 0.00001 0.31871 -0.50169 45 4YZ 0.00050 -0.23658 -0.05637 -0.00004 0.00000 46 4 O 1S -0.00184 -0.00997 -0.00039 -0.00028 -0.00140 47 2S 0.00609 0.05964 0.09274 -0.04568 -0.07378 48 2PX 0.00115 0.06186 0.03362 0.03638 -0.04352 49 2PY -0.00546 0.02892 0.01156 -0.01815 0.00053 50 2PZ 0.00472 -0.01780 -0.01645 0.01278 -0.04427 51 3S 0.01002 0.20612 -0.11760 0.07809 0.24127 52 3PX 0.01100 -0.02377 -0.06053 -0.19556 0.30204 53 3PY 0.00914 0.02844 -0.04087 0.07131 0.04068 54 3PZ -0.01447 -0.07310 0.01737 -0.08155 0.13221 55 4XX 0.08093 0.01589 -0.01838 -0.08855 0.09028 56 4YY -0.00839 -0.03687 -0.02050 -0.00544 0.05411 57 4ZZ -0.08891 -0.00539 0.04704 0.09333 -0.14421 58 4XY 0.02172 -0.07592 -0.02413 -0.19275 0.25654 59 4XZ 0.04347 0.15702 0.10818 -0.00680 -0.00227 60 4YZ -0.06581 -0.12431 -0.02262 -0.22341 0.34953 61 5 H 1S 0.00810 -0.04333 -0.02865 -0.08304 0.05801 62 2S -0.01537 -0.13927 -0.05027 0.04993 -0.09748 63 6 H 1S 0.00797 0.04334 0.02866 -0.08299 0.05799 64 2S -0.01603 0.13928 0.05029 0.05007 -0.09728 65 7 H 1S -0.02863 0.00000 0.00000 -0.16032 0.26489 66 2S 0.06639 0.00001 0.00000 0.15927 -0.19507 67 8 O 1S -0.00190 0.00997 0.00039 -0.00028 -0.00140 68 2S 0.00654 -0.05964 -0.09274 -0.04568 -0.07382 69 2PX 0.00148 -0.06186 -0.03363 0.03637 -0.04354 70 2PY 0.00521 0.02891 0.01155 0.01816 -0.00046 71 2PZ 0.00464 0.01781 0.01646 0.01279 -0.04427 72 3S 0.01054 -0.20608 0.11758 0.07787 0.24084 73 3PX 0.01056 0.02376 0.06054 -0.19565 0.30186 74 3PY -0.00908 0.02842 -0.04084 -0.07131 -0.04079 75 3PZ -0.01477 0.07309 -0.01738 -0.08154 0.13226 76 4XX 0.08088 -0.01588 0.01839 -0.08863 0.09038 77 4YY -0.00844 0.03689 0.02051 -0.00542 0.05424 78 4ZZ -0.08891 0.00535 -0.04704 0.09340 -0.14441 79 4XY -0.02140 -0.07592 -0.02411 0.19271 -0.25659 80 4XZ 0.04395 -0.15704 -0.10817 -0.00693 -0.00244 81 4YZ 0.06626 -0.12430 -0.02262 0.22336 -0.34940 82 9 H 1S 0.02416 -0.00001 0.00000 0.21041 -0.31987 83 2S -0.04652 -0.00001 -0.00001 -0.07610 0.17228 84 10 C 1S -0.01389 0.00046 -0.02120 0.02173 0.01322 85 2S -0.19121 0.19492 -0.13238 0.14292 0.00324 86 2PX 0.07006 0.00137 -0.01412 0.00983 -0.00458 87 2PY 0.14392 0.04809 -0.14074 0.00513 0.02416 88 2PZ 0.01728 -0.09987 0.10348 -0.01287 0.03372 89 3S 0.38321 -0.42331 0.31415 -0.75888 -0.57078 90 3PX 0.16609 0.00422 0.11289 -0.10193 -0.02935 91 3PY -0.07992 -0.10507 -0.32835 -0.11474 -0.19357 92 3PZ -0.14912 0.45758 -0.21100 0.39478 0.18538 93 4XX -0.03217 0.06881 -0.25878 0.15985 0.10665 94 4YY 0.23296 0.08408 0.17460 0.11144 0.09014 95 4ZZ -0.25327 -0.11739 0.06499 -0.27125 -0.18657 96 4XY 0.19115 0.00257 -0.39762 0.04985 0.07066 97 4XZ -0.35851 -0.21532 0.13244 0.15078 0.12161 98 4YZ -0.01982 0.24323 -0.27185 -0.06906 -0.05072 99 11 C 1S 0.00691 -0.00115 -0.04136 -0.04632 -0.04078 100 2S 0.04079 -0.08537 -0.23435 -0.11340 -0.13547 101 2PX -0.00231 -0.03656 0.17540 0.06178 0.05380 102 2PY -0.02380 -0.01556 0.00079 -0.06378 -0.04931 103 2PZ -0.04330 0.06769 -0.20423 -0.03158 -0.03703 104 3S -0.34775 0.97682 1.35278 1.44898 1.20226 105 3PX -0.18360 0.14000 0.40492 0.23105 0.07849 106 3PY 0.20350 -0.25271 -0.54518 -0.40153 -0.31024 107 3PZ -0.07972 -0.16988 -0.13642 0.04448 0.04135 108 4XX 0.38327 -0.01982 -0.22998 -0.20326 -0.10563 109 4YY -0.00958 0.27797 -0.03624 0.38119 0.18549 110 4ZZ -0.37501 -0.17801 0.21994 -0.20006 -0.10051 111 4XY 0.31046 -0.12091 -0.19706 -0.27601 -0.14371 112 4XZ -0.27624 -0.12370 -0.06751 -0.25999 -0.20470 113 4YZ -0.11975 0.24571 0.02861 -0.03954 -0.02789 114 12 C 1S -0.00987 0.04396 0.06536 0.02765 0.01963 115 2S 0.11044 0.18041 0.40583 0.12454 0.14289 116 2PX -0.00163 0.00910 0.05074 0.04279 0.03773 117 2PY -0.06519 0.06960 0.10563 -0.02619 -0.04190 118 2PZ 0.01188 -0.04647 -0.02774 -0.07774 -0.05029 119 3S 0.08932 -1.42341 -2.42154 -0.74709 -0.58886 120 3PX -0.12472 0.47691 0.45740 0.37580 0.28580 121 3PY 0.04209 0.52461 0.55141 -0.08878 -0.04114 122 3PZ -0.02850 -0.39707 -0.84780 -0.25901 -0.22563 123 4XX 0.18756 0.02671 -0.01780 0.04484 0.05064 124 4YY -0.19326 -0.18656 -0.25462 0.11332 0.04795 125 4ZZ -0.03938 0.19249 0.30051 -0.14122 -0.10775 126 4XY 0.00151 -0.41662 0.17621 0.07136 0.07425 127 4XZ -0.02146 0.23398 0.40878 0.33658 0.26521 128 4YZ -0.13215 0.15107 -0.11107 -0.03609 -0.03410 129 13 C 1S -0.00991 -0.04396 -0.06537 0.02765 0.01968 130 2S 0.11090 -0.18044 -0.40585 0.12459 0.14325 131 2PX -0.00159 -0.00913 -0.05076 0.04281 0.03780 132 2PY 0.06551 0.06959 0.10561 0.02624 0.04187 133 2PZ 0.01191 0.04648 0.02776 -0.07773 -0.05030 134 3S 0.08797 1.42348 2.42157 -0.74737 -0.59129 135 3PX -0.12434 -0.47706 -0.45750 0.37573 0.28655 136 3PY -0.04141 0.52451 0.55127 0.08885 0.04058 137 3PZ -0.02773 0.39711 0.84787 -0.25902 -0.22576 138 4XX 0.18739 -0.02664 0.01774 0.04465 0.05109 139 4YY -0.19257 0.18646 0.25470 0.11340 0.04781 140 4ZZ -0.04019 -0.19245 -0.30053 -0.14114 -0.10806 141 4XY -0.00209 -0.41657 0.17626 -0.07136 -0.07446 142 4XZ -0.02228 -0.23409 -0.40875 0.33650 0.26528 143 4YZ 0.13160 0.15111 -0.11110 0.03613 0.03365 144 14 C 1S 0.00690 0.00116 0.04137 -0.04633 -0.04082 145 2S 0.03941 0.08540 0.23432 -0.11374 -0.13624 146 2PX -0.00236 0.03654 -0.17541 0.06176 0.05386 147 2PY 0.02354 -0.01555 0.00071 0.06372 0.04915 148 2PZ -0.04295 -0.06767 0.20423 -0.03153 -0.03700 149 3S -0.34419 -0.97705 -1.35288 1.44970 1.20406 150 3PX -0.18432 -0.13998 -0.40488 0.23098 0.07854 151 3PY -0.20139 -0.25272 -0.54523 0.40198 0.31138 152 3PZ -0.08054 0.16981 0.13624 0.04466 0.04106 153 4XX 0.38359 0.01991 0.22988 -0.20328 -0.10569 154 4YY -0.00962 -0.27814 0.03620 0.38120 0.18552 155 4ZZ -0.37499 0.17809 -0.21978 -0.19999 -0.10038 156 4XY -0.31135 -0.12097 -0.19704 0.27593 0.14385 157 4XZ -0.27665 0.12368 0.06763 -0.25994 -0.20473 158 4YZ 0.12000 0.24562 0.02858 0.03969 0.02800 159 15 C 1S -0.01386 -0.00046 0.02120 0.02173 0.01321 160 2S -0.19062 -0.19492 0.13244 0.14279 0.00280 161 2PX 0.07010 -0.00137 0.01411 0.00983 -0.00461 162 2PY -0.14397 0.04807 -0.14067 -0.00512 -0.02414 163 2PZ 0.01741 0.09988 -0.10353 -0.01281 0.03388 164 3S 0.37875 0.42342 -0.31408 -0.75910 -0.57070 165 3PX 0.16656 -0.00425 -0.11293 -0.10205 -0.02952 166 3PY 0.07776 -0.10506 -0.32850 0.11470 0.19351 167 3PZ -0.14654 -0.45761 0.21093 0.39498 0.18526 168 4XX -0.03181 -0.06883 0.25878 0.15986 0.10652 169 4YY 0.23281 -0.08416 -0.17464 0.11141 0.09013 170 4ZZ -0.25376 0.11748 -0.06493 -0.27122 -0.18636 171 4XY -0.19007 0.00254 -0.39752 -0.04989 -0.07078 172 4XZ -0.35991 0.21529 -0.13243 0.15075 0.12158 173 4YZ 0.02044 0.24317 -0.27187 0.06915 0.05067 174 16 H 1S -0.00722 -0.15590 0.08267 0.16563 0.16417 175 2S 0.03398 0.02836 0.13020 -0.09790 -0.01905 176 17 H 1S 0.03961 -0.18851 -0.01145 -0.30301 -0.18043 177 2S -0.08664 0.06081 0.08227 0.13060 0.07480 178 18 H 1S -0.06036 -0.05062 -0.15292 0.04289 0.02666 179 2S -0.02009 -0.04193 -0.03881 0.00950 0.00228 180 19 H 1S -0.05933 0.05057 0.15293 0.04290 0.02722 181 2S -0.01982 0.04194 0.03881 0.00952 0.00218 182 20 H 1S 0.03979 0.18859 0.01147 -0.30297 -0.18043 183 2S -0.08628 -0.06079 -0.08227 0.13069 0.07507 184 21 H 1S -0.00771 0.15585 -0.08270 0.16561 0.16408 185 2S 0.03338 -0.02838 -0.13022 -0.09796 -0.01901 186 22 H 1S -0.03995 0.10062 0.04592 -0.08656 -0.07764 187 2S 0.09405 -0.14569 0.05676 -0.04104 -0.01097 188 23 H 1S -0.03994 -0.10055 -0.04588 -0.08645 -0.07792 189 2S 0.09431 0.14569 -0.05678 -0.04099 -0.01089 161 162 163 164 165 V V V V V Eigenvalues -- 2.46406 2.48233 2.51089 2.55040 2.59078 1 1 C 1S 0.00209 0.01727 -0.04820 -0.00496 0.03523 2 2S 0.31567 -0.27734 -0.86497 0.23714 0.02493 3 2PX -0.08219 0.05401 0.10799 0.02434 0.21285 4 2PY 0.04990 -0.15670 0.11596 0.15366 0.14401 5 2PZ 0.07616 -0.03806 -0.18670 -0.02768 -0.07885 6 3S -0.49770 -0.67470 3.60484 0.15554 -0.72528 7 3PX -0.00203 0.79752 -0.36866 -0.77038 0.38402 8 3PY 0.06841 -0.67813 1.45868 0.33671 -0.20855 9 3PZ -0.48459 -0.09277 1.56816 0.42299 -0.54806 10 4XX -0.04133 -0.38386 0.05016 -0.24752 -0.08911 11 4YY 0.08111 -0.23533 0.13750 0.23375 0.08971 12 4ZZ -0.10166 0.66160 -0.03961 -0.00355 0.04285 13 4XY -0.24101 0.17474 0.00370 -0.43038 0.05003 14 4XZ -0.05388 -0.05156 0.13016 -0.07097 0.38287 15 4YZ -0.27265 -0.03688 -0.05434 -0.38538 -0.02210 16 2 C 1S -0.00211 -0.01727 0.04820 0.00496 0.03523 17 2S -0.31581 0.27734 0.86492 -0.23718 0.02494 18 2PX 0.08223 -0.05400 -0.10803 -0.02433 0.21285 19 2PY 0.04999 -0.15670 0.11594 0.15365 -0.14402 20 2PZ -0.07616 0.03805 0.18671 0.02769 -0.07887 21 3S 0.49798 0.67474 -3.60481 -0.15557 -0.72520 22 3PX 0.00185 -0.79750 0.36870 0.77045 0.38392 23 3PY 0.06827 -0.67812 1.45886 0.33679 0.20854 24 3PZ 0.48495 0.09273 -1.56810 -0.42303 -0.54796 25 4XX 0.04107 0.38380 -0.05011 0.24757 -0.08914 26 4YY -0.08103 0.23535 -0.13748 -0.23370 0.08974 27 4ZZ 0.10185 -0.66155 0.03958 0.00346 0.04285 28 4XY -0.24098 0.17475 0.00372 -0.43037 -0.05003 29 4XZ 0.05369 0.05155 -0.13016 0.07099 0.38286 30 4YZ -0.27262 -0.03679 -0.05435 -0.38539 0.02214 31 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.06994 32 2S 0.00003 -0.00001 -0.00002 -0.00002 -0.52141 33 2PX 0.00000 0.00000 -0.00001 -0.00003 -0.55430 34 2PY -0.03669 -0.03960 0.07816 0.03368 -0.00003 35 2PZ -0.00001 0.00000 0.00001 0.00002 0.23186 36 3S -0.00014 0.00002 -0.00001 -0.00011 -2.02854 37 3PX 0.00002 0.00002 -0.00001 -0.00004 -0.79006 38 3PY -0.01461 -0.01459 0.18202 0.15529 -0.00002 39 3PZ 0.00011 0.00001 -0.00003 0.00001 0.12667 40 4XX 0.00027 0.00003 -0.00004 -0.00003 -0.23332 41 4YY -0.00005 0.00000 0.00001 0.00000 0.04858 42 4ZZ -0.00023 -0.00002 0.00003 0.00003 0.36110 43 4XY 0.08029 -0.03110 0.23876 0.26935 -0.00003 44 4XZ 0.00029 0.00001 -0.00001 0.00004 0.43936 45 4YZ 0.14742 -0.03215 0.17259 0.22911 -0.00002 46 4 O 1S -0.00431 -0.00645 0.00307 -0.00866 -0.05992 47 2S 0.05259 -0.12604 0.01312 0.09583 -0.88796 48 2PX 0.00549 0.01811 -0.02181 0.00402 0.02162 49 2PY 0.04878 -0.04543 -0.02110 0.04002 -0.08841 50 2PZ -0.00584 0.07363 0.00271 -0.02447 -0.01892 51 3S 0.14215 0.46334 -0.69176 -0.28300 2.91876 52 3PX 0.07730 -0.06017 -0.31772 -0.14792 0.12654 53 3PY -0.11271 0.20595 0.01314 -0.04836 1.22959 54 3PZ 0.02308 -0.34439 0.10255 0.12660 -0.15616 55 4XX -0.08694 -0.43086 -0.12628 -0.24995 -0.20938 56 4YY -0.04339 0.03487 0.15335 0.01673 0.38890 57 4ZZ 0.11158 0.33000 0.01624 0.21004 -0.45724 58 4XY -0.01633 0.01556 0.06778 -0.04714 -0.07632 59 4XZ 0.03095 -0.14803 -0.32948 -0.17601 -0.29697 60 4YZ 0.16165 -0.30283 0.06304 0.16868 -0.11686 61 5 H 1S 0.06763 -0.22025 0.12507 0.21408 0.04131 62 2S -0.04531 -0.13808 0.45794 0.20326 -0.21085 63 6 H 1S -0.06769 0.22021 -0.12508 -0.21406 0.04133 64 2S 0.04546 0.13810 -0.45799 -0.20332 -0.21081 65 7 H 1S -0.00015 -0.00001 0.00001 0.00000 -0.05128 66 2S 0.00012 0.00001 -0.00001 0.00000 0.09248 67 8 O 1S 0.00431 0.00645 -0.00306 0.00865 -0.05992 68 2S -0.05249 0.12607 -0.01317 -0.09593 -0.88795 69 2PX -0.00544 -0.01809 0.02181 -0.00402 0.02162 70 2PY 0.04878 -0.04543 -0.02109 0.04003 0.08840 71 2PZ 0.00590 -0.07363 -0.00272 0.02447 -0.01892 72 3S -0.14251 -0.46342 0.69189 0.28334 2.91873 73 3PX -0.07765 0.06011 0.31775 0.14795 0.12655 74 3PY -0.11263 0.20593 0.01311 -0.04848 -1.22957 75 3PZ -0.02325 0.34439 -0.10252 -0.12664 -0.15626 76 4XX 0.08684 0.43084 0.12628 0.24993 -0.20940 77 4YY 0.04329 -0.03483 -0.15332 -0.01671 0.38889 78 4ZZ -0.11136 -0.33001 -0.01625 -0.21008 -0.45721 79 4XY -0.01601 0.01559 0.06774 -0.04715 0.07635 80 4XZ -0.03095 0.14804 0.32951 0.17597 -0.29699 81 4YZ 0.16206 -0.30276 0.06300 0.16872 0.11693 82 9 H 1S 0.00018 0.00001 -0.00001 0.00001 0.09865 83 2S -0.00011 -0.00001 0.00002 0.00001 0.16892 84 10 C 1S 0.00591 0.01128 -0.03356 0.00078 0.00613 85 2S 0.26028 0.07273 -0.50534 -0.00708 -0.26925 86 2PX 0.02310 -0.02236 -0.01189 -0.00402 0.01091 87 2PY 0.00801 0.03010 -0.09942 0.01654 -0.04628 88 2PZ -0.08629 -0.00358 0.19661 -0.02248 0.13513 89 3S -0.18408 -0.25024 -0.15605 0.34804 -0.00065 90 3PX 0.04572 0.14539 -0.34447 0.04145 -0.09649 91 3PY -0.07708 -0.15897 -0.42999 0.09075 -0.02890 92 3PZ 0.23405 0.03390 0.35121 -0.25914 0.00333 93 4XX 0.09191 0.09102 -0.25606 0.02142 0.06745 94 4YY 0.00077 -0.04007 0.15247 -0.02364 0.00972 95 4ZZ -0.15088 -0.04500 0.15467 0.01758 0.00475 96 4XY -0.06423 0.00808 0.02020 -0.01090 -0.00514 97 4XZ -0.02383 0.05548 -0.14271 0.05769 0.03976 98 4YZ -0.08440 0.01277 0.04083 0.05353 0.09440 99 11 C 1S 0.02522 -0.01464 -0.05080 0.00062 -0.01787 100 2S 0.37474 -0.05240 -1.36002 0.30841 -0.07748 101 2PX -0.05371 -0.00874 0.04879 0.04028 0.01667 102 2PY -0.08963 -0.03668 0.26533 -0.08168 -0.01841 103 2PZ -0.00637 0.03267 -0.05689 -0.01845 0.04301 104 3S -0.92660 0.28840 3.36134 -0.33259 0.42588 105 3PX -0.05904 -0.22968 0.14462 0.10541 0.00031 106 3PY 0.57339 0.21189 -1.97278 0.27960 -0.26072 107 3PZ 0.38465 0.01465 0.07895 -0.27467 -0.01276 108 4XX 0.05127 0.00698 0.02783 -0.05667 -0.01807 109 4YY -0.01546 -0.01974 0.02886 0.02551 -0.16645 110 4ZZ -0.06289 0.00056 0.22476 -0.06591 0.19181 111 4XY 0.15029 0.02475 0.04530 -0.11437 0.04496 112 4XZ 0.03779 0.03456 -0.07097 -0.01859 -0.11938 113 4YZ 0.02561 -0.00007 0.02001 0.01538 -0.05951 114 12 C 1S -0.03942 -0.01909 0.05938 0.02279 0.01115 115 2S -0.22542 -0.12074 0.62868 0.30960 0.06238 116 2PX -0.03935 0.02026 0.08241 -0.08458 0.02798 117 2PY -0.04870 -0.02434 -0.01859 0.03703 -0.04632 118 2PZ 0.01626 0.00564 -0.04560 -0.00686 -0.02315 119 3S 1.61734 0.64982 -3.58768 -0.85257 -0.27477 120 3PX -0.67890 -0.25586 0.36142 0.79626 0.14050 121 3PY -0.41734 -0.33070 0.95365 0.26358 0.01697 122 3PZ 0.00561 0.00473 -0.90876 0.27118 -0.08399 123 4XX -0.49435 -0.11718 -0.24218 0.31471 -0.01622 124 4YY 0.14911 0.08607 -0.00043 -0.11117 -0.01314 125 4ZZ 0.33143 0.01939 0.14415 -0.26075 0.04191 126 4XY -0.18560 0.02837 -0.21202 0.05974 0.06267 127 4XZ -0.11249 -0.01635 -0.02116 0.13494 0.05709 128 4YZ -0.37733 -0.05283 0.18150 0.13086 -0.01923 129 13 C 1S 0.03940 0.01909 -0.05936 -0.02280 0.01116 130 2S 0.22526 0.12074 -0.62859 -0.30957 0.06243 131 2PX 0.03932 -0.02026 -0.08236 0.08455 0.02797 132 2PY -0.04875 -0.02435 -0.01858 0.03704 0.04631 133 2PZ -0.01622 -0.00565 0.04554 0.00688 -0.02314 134 3S -1.61685 -0.64986 3.58714 0.85264 -0.27484 135 3PX 0.67864 0.25590 -0.36133 -0.79624 0.14055 136 3PY -0.41725 -0.33065 0.95360 0.26347 -0.01700 137 3PZ -0.00538 -0.00472 0.90870 -0.27120 -0.08392 138 4XX 0.49430 0.11716 0.24226 -0.31470 -0.01617 139 4YY -0.14911 -0.08605 0.00039 0.11116 -0.01319 140 4ZZ -0.33135 -0.01939 -0.14419 0.26074 0.04191 141 4XY -0.18542 0.02841 -0.21207 0.05970 -0.06269 142 4XZ 0.11235 0.01636 0.02134 -0.13504 0.05709 143 4YZ -0.37734 -0.05285 0.18150 0.13083 0.01920 144 14 C 1S -0.02518 0.01464 0.05077 -0.00062 -0.01786 145 2S -0.37464 0.05239 1.35992 -0.30840 -0.07741 146 2PX 0.05365 0.00874 -0.04878 -0.04028 0.01668 147 2PY -0.08969 -0.03667 0.26537 -0.08170 0.01842 148 2PZ 0.00639 -0.03266 0.05696 0.01842 0.04299 149 3S 0.92543 -0.28843 -3.36022 0.33252 0.42555 150 3PX 0.05899 0.22970 -0.14441 -0.10548 0.00029 151 3PY 0.57312 0.21190 -1.97250 0.27960 0.26056 152 3PZ -0.38468 -0.01466 -0.07935 0.27478 -0.01279 153 4XX -0.05117 -0.00700 -0.02793 0.05667 -0.01802 154 4YY 0.01530 0.01975 -0.02869 -0.02550 -0.16649 155 4ZZ 0.06299 -0.00054 -0.22482 0.06590 0.19179 156 4XY 0.15015 0.02476 0.04539 -0.11436 -0.04493 157 4XZ -0.03759 -0.03455 0.07080 0.01862 -0.11940 158 4YZ 0.02557 -0.00007 0.02006 0.01537 0.05940 159 15 C 1S -0.00592 -0.01128 0.03358 -0.00078 0.00612 160 2S -0.26031 -0.07273 0.50557 0.00704 -0.26925 161 2PX -0.02309 0.02236 0.01191 0.00401 0.01091 162 2PY 0.00801 0.03011 -0.09933 0.01651 0.04627 163 2PZ 0.08626 0.00358 -0.19663 0.02248 0.13512 164 3S 0.18473 0.25028 0.15544 -0.34804 -0.00024 165 3PX -0.04569 -0.14539 0.34438 -0.04145 -0.09641 166 3PY -0.07725 -0.15900 -0.42991 0.09072 0.02898 167 3PZ -0.23428 -0.03391 -0.35090 0.25914 0.00316 168 4XX -0.09200 -0.09102 0.25618 -0.02144 0.06739 169 4YY -0.00083 0.04007 -0.15248 0.02365 0.00979 170 4ZZ 0.15103 0.04501 -0.15482 -0.01756 0.00473 171 4XY -0.06417 0.00810 0.02017 -0.01089 0.00514 172 4XZ 0.02369 -0.05547 0.14278 -0.05768 0.03971 173 4YZ -0.08447 0.01277 0.04081 0.05356 -0.09442 174 16 H 1S 0.04740 0.08439 -0.14945 -0.00691 -0.03567 175 2S -0.05828 0.05781 -0.00387 0.04981 -0.00686 176 17 H 1S 0.03270 -0.07609 0.07992 -0.04842 0.08552 177 2S -0.14738 -0.08484 0.41576 -0.09948 0.05676 178 18 H 1S -0.45616 -0.09757 0.08268 0.31379 0.00652 179 2S 0.06297 0.04390 -0.06267 0.05505 -0.01006 180 19 H 1S 0.45612 0.09758 -0.08263 -0.31378 0.00655 181 2S -0.06294 -0.04387 0.06269 -0.05508 -0.01006 182 20 H 1S -0.03253 0.07609 -0.08008 0.04841 0.08553 183 2S 0.14730 0.08484 -0.41571 0.09952 0.05671 184 21 H 1S -0.04756 -0.08440 0.14950 0.00692 -0.03570 185 2S 0.05830 -0.05783 0.00377 -0.04981 -0.00681 186 22 H 1S 0.33640 0.05023 0.39300 -0.27349 -0.02143 187 2S -0.01503 0.07695 0.07883 -0.18947 -0.00030 188 23 H 1S -0.33629 -0.05022 -0.39306 0.27349 -0.02147 189 2S 0.01506 -0.07696 -0.07884 0.18944 -0.00031 166 167 168 169 170 V V V V V Eigenvalues -- 2.63366 2.64875 2.67413 2.69191 2.70151 1 1 C 1S -0.00057 0.02801 0.03238 -0.00368 0.03664 2 2S -0.09764 0.06959 -0.02612 0.00386 0.13761 3 2PX -0.07306 -0.06512 0.05219 -0.04975 -0.04109 4 2PY -0.01535 -0.16755 -0.13825 -0.02805 -0.24577 5 2PZ -0.02381 0.00984 -0.04917 0.04011 0.03656 6 3S 0.17673 -0.88789 -1.13238 0.11591 -1.35654 7 3PX -0.05871 -0.31578 0.02486 -0.06621 -0.21489 8 3PY 0.01176 -0.39851 -0.47809 -0.00523 -0.74080 9 3PZ 0.14033 0.01787 -0.06075 0.04150 -0.13392 10 4XX 0.00108 0.15801 0.14296 0.01806 0.28346 11 4YY 0.00517 -0.30340 -0.26165 -0.00707 -0.47780 12 4ZZ 0.04351 0.14346 0.14218 0.01135 0.14485 13 4XY -0.04985 0.00767 -0.01438 0.04384 -0.04209 14 4XZ -0.12477 -0.13189 0.07355 -0.05764 -0.03477 15 4YZ 0.03505 -0.07098 -0.13439 -0.03418 -0.16970 16 2 C 1S -0.00056 -0.02800 -0.03238 -0.00364 -0.03664 17 2S -0.09771 -0.06952 0.02612 0.00389 -0.13765 18 2PX -0.07302 0.06517 -0.05221 -0.04972 0.04106 19 2PY 0.01536 -0.16757 -0.13825 0.02823 -0.24575 20 2PZ -0.02383 -0.00984 0.04917 0.04009 -0.03656 21 3S 0.17667 0.88776 1.13248 0.11469 1.35666 22 3PX -0.05850 0.31582 -0.02488 -0.06626 0.21490 23 3PY -0.01172 -0.39847 -0.47807 0.00578 -0.74080 24 3PZ 0.14023 -0.01798 0.06075 0.04140 0.13390 25 4XX 0.00111 -0.15802 -0.14295 0.01829 -0.28344 26 4YY 0.00516 0.30339 0.26166 -0.00745 0.47783 27 4ZZ 0.04350 -0.14348 -0.14219 0.01149 -0.14487 28 4XY 0.04983 0.00762 -0.01440 -0.04382 -0.04214 29 4XZ -0.12468 0.13197 -0.07359 -0.05759 0.03473 30 4YZ -0.03505 -0.07091 -0.13434 0.03432 -0.16963 31 3 C 1S -0.01814 0.00001 0.00000 0.00096 0.00000 32 2S 0.09363 -0.00002 0.00001 0.00621 0.00000 33 2PX 0.13573 -0.00004 0.00001 -0.00717 0.00001 34 2PY -0.00003 -0.20438 0.03167 0.00004 -0.25243 35 2PZ -0.06345 0.00001 0.00000 0.00813 -0.00001 36 3S 0.55695 -0.00019 0.00004 0.01191 0.00004 37 3PX 0.27123 -0.00009 0.00001 -0.04996 0.00002 38 3PY -0.00002 -0.27738 -0.03401 0.00007 -0.31162 39 3PZ -0.05907 -0.00002 -0.00001 -0.00059 -0.00002 40 4XX 0.13477 -0.00003 0.00001 -0.04555 0.00001 41 4YY -0.07095 -0.00001 -0.00002 0.02724 -0.00002 42 4ZZ -0.08711 0.00003 0.00000 -0.00996 0.00000 43 4XY -0.00002 -0.24093 0.02568 0.00005 -0.30105 44 4XZ -0.13239 0.00003 0.00000 0.02869 -0.00002 45 4YZ 0.00003 0.18618 0.04126 -0.00005 0.17880 46 4 O 1S 0.01344 0.02872 0.00077 0.00858 0.01842 47 2S 0.22253 0.12042 -0.13252 0.02274 0.17868 48 2PX -0.00284 -0.04676 -0.03851 -0.01588 -0.03129 49 2PY 0.02111 -0.02674 -0.01905 0.00302 -0.01287 50 2PZ -0.00243 -0.00460 0.01575 0.00280 0.01092 51 3S -0.73503 -0.60901 0.29398 -0.16294 -0.56030 52 3PX -0.03779 0.14284 0.14031 -0.05263 0.18028 53 3PY -0.31316 -0.21032 0.11296 -0.03583 -0.24510 54 3PZ 0.03281 0.08069 -0.06897 0.06909 0.02529 55 4XX 0.07715 0.03770 0.00157 -0.03445 0.04859 56 4YY -0.15848 -0.09908 0.00943 0.07960 -0.15065 57 4ZZ 0.14246 0.17445 -0.00744 -0.00106 0.11926 58 4XY 0.00327 0.10306 0.03275 -0.04744 0.12657 59 4XZ 0.02794 0.10525 -0.07223 0.08319 0.09634 60 4YZ 0.02022 0.05596 0.00449 0.02039 0.04128 61 5 H 1S -0.07154 0.06440 0.11102 0.00681 0.13246 62 2S 0.09427 0.03087 -0.02663 -0.02250 -0.14492 63 6 H 1S -0.07154 -0.06438 -0.11103 0.00695 -0.13248 64 2S 0.09421 -0.03090 0.02662 -0.02256 0.14492 65 7 H 1S -0.00397 0.00000 0.00000 0.00060 0.00000 66 2S 0.00094 -0.00001 -0.00001 -0.03054 0.00000 67 8 O 1S 0.01343 -0.02873 -0.00077 0.00859 -0.01841 68 2S 0.22243 -0.12057 0.13256 0.02271 -0.17863 69 2PX -0.00284 0.04676 0.03850 -0.01592 0.03129 70 2PY -0.02111 -0.02673 -0.01906 -0.00300 -0.01288 71 2PZ -0.00242 0.00459 -0.01575 0.00281 -0.01092 72 3S -0.73469 0.60948 -0.29414 -0.16295 0.56012 73 3PX -0.03777 -0.14281 -0.14034 -0.05246 -0.18031 74 3PY 0.31305 -0.21052 0.11301 0.03583 -0.24504 75 3PZ 0.03277 -0.08070 0.06901 0.06906 -0.02529 76 4XX 0.07715 -0.03775 -0.00157 -0.03441 -0.04860 77 4YY -0.15845 0.09916 -0.00943 0.07956 0.15067 78 4ZZ 0.14238 -0.17451 0.00745 -0.00104 -0.11924 79 4XY -0.00326 0.10307 0.03278 0.04734 0.12660 80 4XZ 0.02788 -0.10526 0.07226 0.08319 -0.09629 81 4YZ -0.02022 0.05600 0.00448 -0.02040 0.04130 82 9 H 1S -0.02428 0.00002 0.00000 0.00772 0.00000 83 2S -0.03191 0.00002 -0.00001 -0.01808 -0.00001 84 10 C 1S 0.03413 -0.09824 -0.01674 -0.02484 0.03178 85 2S 0.01171 -0.30063 -0.03265 0.09101 -0.02874 86 2PX -0.05894 0.02230 0.02892 0.07516 -0.00743 87 2PY -0.28030 -0.22311 0.07158 0.04759 0.26004 88 2PZ 0.31076 -0.14288 -0.04406 -0.24029 -0.02427 89 3S -0.97651 5.02806 0.68578 1.02052 -0.61951 90 3PX -0.11727 0.58162 0.31123 0.10558 0.14323 91 3PY -0.03721 -1.51026 0.19795 0.40677 0.46480 92 3PZ 0.54158 -1.79955 -0.53080 -0.46954 -0.13030 93 4XX 0.27181 -0.60345 -0.01109 -0.11512 0.16666 94 4YY -0.12337 0.52889 -0.12865 -0.21159 -0.48023 95 4ZZ -0.17615 0.09118 0.07279 0.44475 0.32378 96 4XY -0.06323 -0.11785 0.26704 0.07473 -0.30681 97 4XZ -0.01304 -0.27542 -0.31294 -0.26510 0.09528 98 4YZ 0.38480 0.21206 -0.24049 -0.16972 0.00791 99 11 C 1S -0.05412 0.05195 0.02388 0.00077 0.03842 100 2S 0.04574 0.62910 0.08546 -0.04814 0.13411 101 2PX -0.00929 0.04061 0.03462 0.13810 -0.04851 102 2PY -0.15270 -0.03791 0.05990 0.07919 0.04818 103 2PZ 0.18909 -0.17896 -0.15337 -0.29817 0.10052 104 3S 1.38275 -3.38508 -1.14327 -0.30672 -0.96970 105 3PX 0.05253 -0.08686 -0.27434 0.47256 -0.25833 106 3PY -0.60131 1.77725 0.46328 0.09674 0.30524 107 3PZ 0.30084 -0.49036 -0.16050 -0.94187 0.14643 108 4XX -0.18380 0.23227 0.17976 0.30630 -0.17233 109 4YY -0.40604 -0.20137 -0.06960 -0.24839 0.04790 110 4ZZ 0.51738 -0.11920 -0.19352 -0.12373 0.13611 111 4XY 0.06505 0.01229 0.20364 -0.24690 0.02768 112 4XZ -0.49744 0.14841 -0.13587 -0.23654 0.36038 113 4YZ -0.21683 0.23657 0.02128 0.64355 -0.00359 114 12 C 1S 0.02389 -0.03326 0.04118 0.03995 -0.00895 115 2S -0.03242 -0.11057 -0.09431 -0.08823 0.10489 116 2PX 0.09881 -0.07556 -0.02221 0.13932 -0.11309 117 2PY -0.10499 -0.03633 0.20038 -0.05922 0.08075 118 2PZ -0.10330 0.06905 0.00113 -0.13515 0.07844 119 3S -0.42177 1.90165 -0.33827 -0.74412 0.19158 120 3PX 0.21713 -0.22258 -0.09213 0.26656 -0.00238 121 3PY 0.01060 -0.55295 0.58801 -0.23417 0.51677 122 3PZ -0.14156 0.36552 0.32584 -0.26567 0.41876 123 4XX -0.03602 0.00314 0.40771 -0.05018 0.02415 124 4YY -0.03362 0.12029 -0.64048 0.13772 -0.21810 125 4ZZ 0.14028 -0.16691 0.38160 -0.00656 0.12911 126 4XY 0.17688 0.07103 0.09546 0.16362 -0.20600 127 4XZ 0.16108 0.00149 -0.01967 0.31313 -0.22961 128 4YZ -0.12557 -0.05692 -0.16677 -0.19239 0.27274 129 13 C 1S 0.02391 0.03326 -0.04115 0.03998 0.00896 130 2S -0.03246 0.11057 0.09423 -0.08822 -0.10492 131 2PX 0.09885 0.07555 0.02230 0.13929 0.11313 132 2PY 0.10497 -0.03635 0.20044 0.05913 0.08079 133 2PZ -0.10330 -0.06902 -0.00121 -0.13511 -0.07846 134 3S -0.42238 -1.90149 0.33774 -0.74447 -0.19181 135 3PX 0.21710 0.22258 0.09228 0.26657 0.00246 136 3PY -0.01082 -0.55287 0.58820 0.23373 0.51688 137 3PZ -0.14166 -0.36549 -0.32596 -0.26539 -0.41879 138 4XX -0.03601 -0.00317 -0.40777 -0.05000 -0.02416 139 4YY -0.03383 -0.12026 0.64061 0.13726 0.21806 140 4ZZ 0.14054 0.16688 -0.38160 -0.00621 -0.12903 141 4XY -0.17692 0.07109 0.09520 -0.16370 -0.20613 142 4XZ 0.16101 -0.00154 0.01991 0.31305 0.22966 143 4YZ 0.12553 -0.05697 -0.16649 0.19247 0.27285 144 14 C 1S -0.05413 -0.05193 -0.02389 0.00079 -0.03842 145 2S 0.04548 -0.62910 -0.08548 -0.04809 -0.13412 146 2PX -0.00931 -0.04059 -0.03455 0.13813 0.04855 147 2PY 0.15262 -0.03799 0.05985 -0.07919 0.04818 148 2PZ 0.18915 0.17887 0.15325 -0.29827 -0.10059 149 3S 1.38374 3.38446 1.14336 -0.30751 0.96969 150 3PX 0.05247 0.08676 0.27463 0.47240 0.25850 151 3PY 0.60183 1.77688 0.46334 -0.09681 0.30533 152 3PZ 0.30109 0.49053 0.16014 -0.94196 -0.14658 153 4XX -0.18381 -0.23217 -0.17965 0.30639 0.17242 154 4YY -0.40607 0.20138 0.06933 -0.24819 -0.04795 155 4ZZ 0.51745 0.11911 0.19363 -0.12404 -0.13617 156 4XY -0.06500 0.01231 0.20374 0.24688 0.02785 157 4XZ -0.49758 -0.14826 0.13565 -0.23647 -0.36044 158 4YZ 0.21668 0.23647 0.02094 -0.64362 -0.00374 159 15 C 1S 0.03416 0.09823 0.01673 -0.02485 -0.03179 160 2S 0.01181 0.30058 0.03266 0.09100 0.02877 161 2PX -0.05895 -0.02227 -0.02890 0.07518 0.00744 162 2PY 0.28015 -0.22324 0.07161 -0.04763 0.26002 163 2PZ 0.31085 0.14273 0.04403 -0.24034 0.02425 164 3S -0.97813 -5.02758 -0.68538 1.02083 0.61970 165 3PX -0.11740 -0.58148 -0.31120 0.10579 -0.14323 166 3PY 0.03653 -1.51062 0.19763 -0.40687 0.46468 167 3PZ 0.54212 1.79903 0.53064 -0.46993 0.13029 168 4XX 0.27202 0.60336 0.01107 -0.11512 -0.16667 169 4YY -0.12346 -0.52893 0.12858 -0.21179 0.48017 170 4ZZ -0.17628 -0.09103 -0.07261 0.44492 -0.32368 171 4XY 0.06311 -0.11788 0.26696 -0.07476 -0.30684 172 4XZ -0.01304 0.27536 0.31285 -0.26529 -0.09539 173 4YZ -0.38468 0.21213 -0.24043 0.16973 0.00811 174 16 H 1S -0.10220 -0.23667 0.04222 -0.12053 -0.05010 175 2S -0.06370 0.54343 0.05482 0.11276 0.04459 176 17 H 1S 0.21213 0.07816 0.05460 0.12656 -0.00993 177 2S 0.01089 -0.32953 -0.18030 -0.07049 -0.05785 178 18 H 1S -0.06007 -0.00902 -0.10634 -0.05581 0.09907 179 2S 0.05514 -0.06568 0.07645 -0.01119 -0.02803 180 19 H 1S -0.06014 0.00902 0.10628 -0.05584 -0.09909 181 2S 0.05516 0.06568 -0.07644 -0.01118 0.02802 182 20 H 1S 0.21213 -0.07820 -0.05445 0.12659 0.00996 183 2S 0.01098 0.32949 0.18026 -0.07058 0.05787 184 21 H 1S -0.10213 0.23669 -0.04232 -0.12053 0.05007 185 2S -0.06388 -0.54338 -0.05474 0.11280 -0.04457 186 22 H 1S -0.04860 -0.11853 -0.13749 -0.01474 0.01271 187 2S -0.02623 -0.00983 0.01619 0.00723 -0.16678 188 23 H 1S -0.04855 0.11855 0.13747 -0.01479 -0.01271 189 2S -0.02619 0.00984 -0.01619 0.00721 0.16676 171 172 173 174 175 V V V V V Eigenvalues -- 2.75476 2.76759 2.80346 2.88868 2.89675 1 1 C 1S 0.01737 0.02571 0.10054 -0.00375 0.02890 2 2S -0.00444 -0.06332 0.63353 -0.20427 -0.20214 3 2PX 0.02896 0.22953 0.24531 -0.13278 0.32591 4 2PY -0.27664 0.17645 -0.24856 -0.23394 0.09474 5 2PZ 0.02596 -0.18636 -0.01821 0.07564 -0.23185 6 3S -0.62593 -0.64783 -5.69008 0.65315 -0.96147 7 3PX -0.14714 0.23320 0.84048 -0.12310 0.41096 8 3PY -0.65956 0.15166 -2.19801 0.18089 0.30229 9 3PZ 0.16905 -0.24497 -1.97505 0.39365 -0.33838 10 4XX 0.38255 0.02187 0.14743 0.16410 -0.23943 11 4YY -0.60741 -0.04201 -0.44184 -0.44584 0.21202 12 4ZZ 0.10278 0.01674 0.14846 0.30436 -0.04866 13 4XY -0.04846 -0.21669 0.03097 -0.44358 -0.14569 14 4XZ 0.09809 0.22496 0.35904 -0.19043 0.38406 15 4YZ -0.21459 0.23318 -0.20344 0.54162 0.09553 16 2 C 1S -0.01736 0.02571 -0.10055 0.00374 0.02890 17 2S 0.00438 -0.06330 -0.63354 0.20430 -0.20209 18 2PX -0.02890 0.22953 -0.24530 0.13275 0.32593 19 2PY -0.27666 -0.17636 -0.24855 -0.23392 -0.09472 20 2PZ -0.02604 -0.18636 0.01819 -0.07562 -0.23187 21 3S 0.62581 -0.64802 5.69009 -0.65299 -0.96165 22 3PX 0.14727 0.23319 -0.84045 0.12304 0.41100 23 3PY -0.65960 -0.15144 -2.19825 0.18100 -0.30217 24 3PZ -0.16917 -0.24496 1.97492 -0.39359 -0.33849 25 4XX -0.38253 0.02195 -0.14744 -0.16404 -0.23945 26 4YY 0.60746 -0.04210 0.44188 0.44570 0.21208 27 4ZZ -0.10282 0.01672 -0.14848 -0.30428 -0.04871 28 4XY -0.04843 0.21667 0.03096 -0.44365 0.14558 29 4XZ -0.09805 0.22500 -0.35905 0.19032 0.38411 30 4YZ -0.21459 -0.23312 -0.20339 0.54172 -0.09540 31 3 C 1S 0.00000 0.02963 0.00000 0.00001 -0.07565 32 2S -0.00001 -0.04877 0.00004 -0.00002 0.24778 33 2PX 0.00001 -0.10815 0.00001 -0.00003 0.41026 34 2PY -0.32323 0.00004 0.68815 0.28786 0.00005 35 2PZ -0.00002 0.03156 0.00002 0.00002 -0.13361 36 3S 0.00002 -0.80437 -0.00001 -0.00014 2.09088 37 3PX 0.00005 -0.01691 -0.00001 -0.00004 0.48079 38 3PY -0.36162 0.00005 0.41791 0.31164 0.00004 39 3PZ -0.00002 -0.00428 0.00003 0.00002 -0.13875 40 4XX 0.00007 0.49021 -0.00002 0.00000 -0.14634 41 4YY -0.00010 -0.73190 0.00004 -0.00002 0.57311 42 4ZZ 0.00003 0.30945 -0.00002 0.00003 -0.45025 43 4XY -0.37863 0.00008 0.64660 0.27625 0.00001 44 4XZ -0.00004 -0.07892 0.00004 0.00002 -0.03931 45 4YZ 0.21385 -0.00008 -0.24209 0.02142 0.00005 46 4 O 1S 0.01465 -0.04985 -0.04007 -0.02617 0.00109 47 2S 0.26055 -0.36227 -0.94373 0.06565 -0.02144 48 2PX -0.01767 -0.00626 -0.05331 0.03049 -0.04153 49 2PY -0.02370 0.07158 -0.04092 0.03660 0.04496 50 2PZ 0.01769 -0.00743 0.00702 -0.02099 0.02911 51 3S -0.82316 1.47241 3.20315 0.03551 0.05331 52 3PX 0.14453 0.21232 0.49523 -0.33373 1.16828 53 3PY -0.28270 0.22321 1.09311 -0.06621 -0.40317 54 3PZ -0.00206 -0.21683 -0.27001 0.14397 -0.74056 55 4XX 0.04781 0.43931 0.08280 -0.00742 0.12992 56 4YY -0.17865 -0.49109 0.28935 -0.16274 -0.29251 57 4ZZ 0.09558 -0.15913 -0.39869 -0.01204 0.23144 58 4XY 0.21362 -0.17149 -0.17579 -0.45717 0.72874 59 4XZ 0.04512 -0.50869 -0.22182 -0.15604 -0.27760 60 4YZ 0.02072 0.04614 0.02971 0.26814 -0.42508 61 5 H 1S 0.19032 -0.04266 0.15233 -0.32094 0.04701 62 2S -0.17941 0.04743 -0.67141 0.26511 0.01371 63 6 H 1S -0.19033 -0.04262 -0.15234 0.32094 0.04706 64 2S 0.17943 0.04739 0.67146 -0.26514 0.01367 65 7 H 1S -0.00001 -0.09587 0.00000 0.00000 -0.05686 66 2S 0.00002 0.19042 0.00000 0.00001 -0.12892 67 8 O 1S -0.01466 -0.04985 0.04007 0.02617 0.00110 68 2S -0.26058 -0.36219 0.94376 -0.06565 -0.02144 69 2PX 0.01767 -0.00626 0.05331 -0.03048 -0.04153 70 2PY -0.02372 -0.07157 -0.04091 0.03661 -0.04495 71 2PZ -0.01769 -0.00743 -0.00702 0.02099 0.02911 72 3S 0.82337 1.47218 -3.20326 -0.03554 0.05326 73 3PX -0.14445 0.21235 -0.49528 0.33357 1.16833 74 3PY -0.28269 -0.22311 1.09311 -0.06625 0.40328 75 3PZ 0.00195 -0.21685 0.27012 -0.14387 -0.74055 76 4XX -0.04771 0.43931 -0.08280 0.00742 0.12995 77 4YY 0.17852 -0.49111 -0.28938 0.16273 -0.29260 78 4ZZ -0.09559 -0.15911 0.39871 0.01205 0.23152 79 4XY 0.21363 0.17151 -0.17580 -0.45710 -0.72877 80 4XZ -0.04522 -0.50865 0.22182 0.15604 -0.27764 81 4YZ 0.02075 -0.04619 0.02964 0.26811 0.42505 82 9 H 1S -0.00001 -0.06419 0.00000 0.00000 0.01023 83 2S 0.00001 0.18123 -0.00001 0.00001 -0.17268 84 10 C 1S 0.04009 -0.00683 0.00406 0.00283 -0.00578 85 2S 0.23161 -0.07709 0.23602 -0.02884 0.00806 86 2PX -0.01060 0.01544 -0.00218 -0.01023 -0.00755 87 2PY -0.10305 0.04748 -0.00632 -0.06861 0.00454 88 2PZ 0.13176 -0.04098 -0.08863 0.06095 -0.01930 89 3S -2.98603 0.29191 0.54973 -0.35851 0.15302 90 3PX -0.51841 0.01633 0.20617 -0.09567 0.01425 91 3PY 0.56395 0.02844 0.05724 -0.11441 0.07295 92 3PZ 1.49700 -0.16256 -0.28958 0.30982 -0.06303 93 4XX 0.19133 -0.03663 -0.04934 0.01634 -0.01638 94 4YY 0.14190 0.00680 0.04347 0.10195 -0.02369 95 4ZZ -0.31689 0.07778 -0.04157 -0.10144 0.03003 96 4XY 0.17773 0.01885 -0.14247 0.00253 0.00837 97 4XZ 0.08878 -0.00779 0.02212 0.02962 0.00270 98 4YZ -0.04732 -0.05937 0.03041 0.04501 -0.02825 99 11 C 1S -0.06144 -0.00199 0.03632 -0.00856 -0.00697 100 2S -0.71498 -0.02010 0.69354 -0.23844 -0.03856 101 2PX 0.09117 0.01405 -0.01621 -0.00756 0.00012 102 2PY -0.00833 0.02065 -0.09559 0.01192 0.01434 103 2PZ 0.07774 -0.05720 0.03389 0.06631 -0.02089 104 3S 3.71262 -0.05214 -1.82210 0.73240 0.16747 105 3PX 0.30050 0.05139 0.25783 -0.09327 0.08912 106 3PY -1.68698 0.06024 0.93211 -0.35431 -0.08103 107 3PZ 0.04706 -0.21166 -0.13360 0.13939 -0.23519 108 4XX -0.04670 0.05622 -0.13146 0.00856 0.02636 109 4YY 0.18336 -0.01417 -0.00452 0.03837 -0.02700 110 4ZZ 0.07059 -0.06619 -0.01638 0.06539 -0.01398 111 4XY -0.15332 -0.04115 -0.13479 0.04454 -0.03970 112 4XZ -0.37446 0.02764 0.04921 -0.01285 -0.01006 113 4YZ -0.12632 0.08848 0.02991 -0.09298 0.06205 114 12 C 1S 0.04109 0.00380 -0.02652 0.00786 0.00898 115 2S 0.30569 0.06476 -0.18185 0.03292 0.08220 116 2PX 0.09188 -0.00982 -0.04025 0.02267 -0.00198 117 2PY -0.10025 -0.00971 -0.03299 0.01453 -0.02569 118 2PZ -0.12912 -0.00320 0.02936 -0.00378 -0.01685 119 3S -2.31001 -0.15594 1.41874 -0.41480 -0.29712 120 3PX 0.86225 0.11189 -0.16077 -0.05293 0.17926 121 3PY 0.06838 -0.03090 -0.48418 0.12858 -0.02543 122 3PZ -0.59063 -0.04372 0.19850 -0.06226 -0.06542 123 4XX -0.10761 -0.00544 -0.06037 0.00158 -0.02326 124 4YY 0.28584 0.01128 0.13276 -0.03258 0.01677 125 4ZZ -0.18442 -0.03000 -0.05836 0.04678 -0.00441 126 4XY 0.05985 0.02086 -0.00154 -0.00806 0.02345 127 4XZ 0.23448 0.03199 0.01067 -0.03180 0.03962 128 4YZ -0.06913 -0.00250 -0.01763 0.01266 -0.00450 129 13 C 1S -0.04108 0.00381 0.02653 -0.00786 0.00898 130 2S -0.30568 0.06481 0.18184 -0.03294 0.08222 131 2PX -0.09186 -0.00980 0.04025 -0.02266 -0.00198 132 2PY -0.10026 0.00972 -0.03298 0.01452 0.02570 133 2PZ 0.12908 -0.00323 -0.02936 0.00378 -0.01685 134 3S 2.30981 -0.15639 -1.41874 0.41485 -0.29711 135 3PX -0.86219 0.11206 0.16084 0.05287 0.17932 136 3PY 0.06825 0.03090 -0.48415 0.12857 0.02551 137 3PZ 0.59049 -0.04377 -0.19857 0.06229 -0.06537 138 4XX 0.10763 -0.00544 0.06036 -0.00157 -0.02325 139 4YY -0.28578 0.01132 -0.13275 0.03258 0.01678 140 4ZZ 0.18436 -0.03004 0.05837 -0.04678 -0.00443 141 4XY 0.05989 -0.02089 -0.00151 -0.00806 -0.02347 142 4XZ -0.23442 0.03205 -0.01066 0.03179 0.03964 143 4YZ -0.06918 0.00254 -0.01764 0.01266 0.00451 144 14 C 1S 0.06143 -0.00200 -0.03632 0.00856 -0.00697 145 2S 0.71497 -0.02023 -0.69353 0.23845 -0.03853 146 2PX -0.09115 0.01407 0.01622 0.00756 0.00013 147 2PY -0.00833 -0.02063 -0.09560 0.01193 -0.01432 148 2PZ -0.07778 -0.05719 -0.03392 -0.06630 -0.02090 149 3S -3.71252 -0.05140 1.82195 -0.73240 0.16749 150 3PX -0.30035 0.05142 -0.25782 0.09327 0.08914 151 3PY -1.68691 -0.05989 0.93212 -0.35429 0.08104 152 3PZ -0.04755 -0.21165 0.13375 -0.13941 -0.23520 153 4XX 0.04671 0.05622 0.13148 -0.00857 0.02636 154 4YY -0.18334 -0.01409 0.00448 -0.03832 -0.02697 155 4ZZ -0.07062 -0.06623 0.01640 -0.06542 -0.01402 156 4XY -0.15334 0.04118 -0.13477 0.04453 0.03972 157 4XZ 0.37438 0.02755 -0.04925 0.01287 -0.01006 158 4YZ -0.12642 -0.08844 0.02989 -0.09295 -0.06205 159 15 C 1S -0.04009 -0.00682 -0.00406 -0.00282 -0.00578 160 2S -0.23156 -0.07700 -0.23610 0.02885 0.00809 161 2PX 0.01062 0.01544 0.00218 0.01023 -0.00755 162 2PY -0.10302 -0.04746 -0.00634 -0.06860 -0.00454 163 2PZ -0.13180 -0.04098 0.08864 -0.06096 -0.01932 164 3S 2.98612 0.29119 -0.54959 0.35845 0.15299 165 3PX 0.51838 0.01624 -0.20617 0.09566 0.01425 166 3PY 0.56415 -0.02855 0.05717 -0.11434 -0.07295 167 3PZ -1.49693 -0.16223 0.28951 -0.30980 -0.06302 168 4XX -0.19136 -0.03657 0.04935 -0.01634 -0.01638 169 4YY -0.14192 0.00679 -0.04349 -0.10196 -0.02370 170 4ZZ 0.31692 0.07772 0.04160 0.10144 0.03002 171 4XY 0.17773 -0.01890 -0.14247 0.00254 -0.00838 172 4XZ -0.08876 -0.00778 -0.02214 -0.02962 0.00270 173 4YZ -0.04741 0.05938 0.03040 0.04496 0.02825 174 16 H 1S 0.10430 0.00498 -0.00493 0.00118 -0.00085 175 2S -0.36892 0.02762 0.07094 -0.05303 0.00965 176 17 H 1S -0.12091 -0.01521 -0.00920 -0.01746 0.00370 177 2S 0.40319 -0.00158 -0.13134 0.08973 0.03046 178 18 H 1S 0.15924 0.03400 -0.04614 -0.00624 0.03493 179 2S 0.02303 -0.04117 -0.01941 0.03654 -0.02681 180 19 H 1S -0.15922 0.03403 0.04612 0.00623 0.03494 181 2S -0.02309 -0.04113 0.01940 -0.03653 -0.02678 182 20 H 1S 0.12090 -0.01525 0.00923 0.01745 0.00368 183 2S -0.40316 -0.00152 0.13137 -0.08974 0.03045 184 21 H 1S -0.10432 0.00501 0.00493 -0.00118 -0.00085 185 2S 0.36892 0.02754 -0.07093 0.05302 0.00965 186 22 H 1S 0.04773 -0.00819 -0.04933 0.04263 -0.00120 187 2S -0.04722 -0.02369 -0.06046 0.05315 -0.03995 188 23 H 1S -0.04774 -0.00820 0.04934 -0.04263 -0.00122 189 2S 0.04721 -0.02369 0.06045 -0.05313 -0.03996 176 177 178 179 180 V V V V V Eigenvalues -- 2.94340 3.13276 3.13758 4.01188 4.12432 1 1 C 1S 0.00367 -0.05434 0.03780 0.00127 -0.08518 2 2S 0.00777 -0.11723 0.14648 0.15163 0.85894 3 2PX -0.01488 -0.28907 0.27622 0.06702 0.15706 4 2PY -0.01926 -0.18231 0.14679 0.04211 -0.10568 5 2PZ 0.00817 0.16429 -0.12543 0.02321 -0.05909 6 3S -0.26713 2.62509 -2.08937 -0.95631 -2.92255 7 3PX 0.17791 -0.84823 0.76520 0.33908 1.42624 8 3PY -0.16193 0.37614 -0.22295 0.07603 -0.59841 9 3PZ -0.15797 1.38032 -1.23353 -0.43854 -1.69742 10 4XX 0.01334 0.19933 -0.17156 0.01437 -0.47028 11 4YY -0.04303 -0.19536 0.14087 -0.01770 -0.52931 12 4ZZ 0.02466 -0.01161 -0.04004 0.01130 -0.39962 13 4XY -0.08450 0.33237 -0.31361 0.07761 0.00814 14 4XZ -0.00130 -0.36046 0.34534 0.05412 0.15228 15 4YZ 0.10920 -0.27011 0.22162 -0.06952 -0.01167 16 2 C 1S -0.00367 0.05434 -0.03780 0.00128 0.08506 17 2S -0.00777 0.11722 -0.14649 0.15161 -0.85815 18 2PX 0.01488 0.28907 -0.27622 0.06702 -0.15701 19 2PY -0.01926 -0.18229 0.14678 -0.04211 -0.10573 20 2PZ -0.00817 -0.16431 0.12544 0.02321 0.05906 21 3S 0.26709 -2.62507 2.08938 -0.95632 2.92279 22 3PX -0.17790 0.84825 -0.76523 0.33911 -1.42628 23 3PY -0.16198 0.37631 -0.22311 -0.07592 -0.59861 24 3PZ 0.15795 -1.38031 1.23354 -0.43856 1.69737 25 4XX -0.01332 -0.19933 0.17158 0.01439 0.46978 26 4YY 0.04301 0.19542 -0.14091 -0.01770 0.52888 27 4ZZ -0.02464 0.01156 0.04008 0.01133 0.39914 28 4XY -0.08451 0.33233 -0.31358 -0.07762 0.00816 29 4XZ 0.00129 0.36050 -0.34539 0.05412 -0.15226 30 4YZ 0.10921 -0.27009 0.22159 0.06953 -0.01166 31 3 C 1S 0.00000 0.00000 0.00000 -0.12394 0.00001 32 2S 0.00000 -0.00001 0.00000 0.95555 0.00001 33 2PX 0.00000 0.00000 0.00000 -0.16550 -0.00001 34 2PY 0.05138 0.24430 -0.21413 -0.00001 0.05153 35 2PZ 0.00000 0.00001 -0.00001 0.08561 0.00000 36 3S 0.00000 0.00002 -0.00001 -2.06875 -0.00015 37 3PX 0.00000 0.00000 0.00000 -0.78672 -0.00006 38 3PY 0.04746 0.62914 -0.54778 -0.00002 0.38787 39 3PZ 0.00000 0.00001 -0.00001 0.18755 0.00007 40 4XX 0.00000 0.00000 0.00000 -0.59084 0.00001 41 4YY 0.00000 0.00002 -0.00002 -0.37869 0.00001 42 4ZZ 0.00000 -0.00001 0.00001 -0.54382 0.00003 43 4XY 0.03205 0.31441 -0.27700 0.00000 -0.11057 44 4XZ 0.00000 0.00001 -0.00001 0.03178 0.00001 45 4YZ 0.00782 -0.13885 0.12348 0.00001 0.00792 46 4 O 1S -0.00818 -0.00901 0.00163 -0.39387 -0.40274 47 2S -0.02820 0.37938 -0.31926 -0.40224 -0.63400 48 2PX 0.02230 0.01398 -0.00487 -0.04679 -0.04924 49 2PY -0.00406 -0.02352 0.02236 -0.13947 -0.16609 50 2PZ -0.00996 0.01889 -0.01591 0.04422 0.03964 51 3S 0.23018 -1.26438 1.14207 4.81458 5.56259 52 3PX -0.00832 -1.19530 1.04459 0.11561 0.85426 53 3PY 0.05889 -0.01989 0.00982 0.97385 0.87164 54 3PZ -0.01643 0.65585 -0.58360 -0.16600 -0.61626 55 4XX 0.00294 -0.35199 0.29751 -1.26875 -1.15523 56 4YY -0.03988 0.25957 -0.24326 -1.17533 -1.26428 57 4ZZ -0.00587 -0.19255 0.14270 -1.33769 -1.38011 58 4XY -0.03951 -0.36822 0.32380 -0.09145 0.14419 59 4XZ -0.03677 0.33616 -0.30738 -0.08598 -0.24436 60 4YZ 0.02815 0.19813 -0.16602 0.00705 -0.11715 61 5 H 1S -0.08592 0.13716 -0.10026 0.08416 0.01879 62 2S -0.01992 0.20340 -0.21251 -0.07801 -0.50143 63 6 H 1S 0.08593 -0.13716 0.10026 0.08415 -0.01873 64 2S 0.01994 -0.20342 0.21252 -0.07803 0.50135 65 7 H 1S 0.00000 0.00000 0.00000 0.21768 0.00001 66 2S 0.00000 0.00000 0.00000 -0.05422 0.00001 67 8 O 1S 0.00818 0.00901 -0.00163 -0.39386 0.40274 68 2S 0.02820 -0.37939 0.31927 -0.40224 0.63397 69 2PX -0.02230 -0.01398 0.00487 -0.04680 0.04927 70 2PY -0.00407 -0.02352 0.02236 0.13946 -0.16609 71 2PZ 0.00996 -0.01890 0.01591 0.04423 -0.03967 72 3S -0.23016 1.26437 -1.14211 4.81453 -5.56251 73 3PX 0.00832 1.19531 -1.04461 0.11563 -0.85429 74 3PY 0.05890 -0.01979 0.00975 -0.97383 0.87149 75 3PZ 0.01643 -0.65586 0.58362 -0.16608 0.61631 76 4XX -0.00293 0.35201 -0.29752 -1.26874 1.15526 77 4YY 0.03987 -0.25963 0.24331 -1.17531 1.26432 78 4ZZ 0.00588 0.19258 -0.14273 -1.33767 1.38011 79 4XY -0.03952 -0.36817 0.32376 0.09146 0.14415 80 4XZ 0.03677 -0.33621 0.30742 -0.08596 0.24433 81 4YZ 0.02815 0.19807 -0.16598 -0.00703 -0.11713 82 9 H 1S 0.00000 0.00000 0.00000 0.24393 0.00000 83 2S 0.00000 0.00001 -0.00001 0.04117 -0.00001 84 10 C 1S -0.00195 0.03545 0.04250 0.01060 0.02419 85 2S 0.01620 -0.24351 0.02636 -0.10545 -0.29747 86 2PX 0.06399 -0.00055 -0.00423 -0.01506 0.03564 87 2PY 0.40659 0.03704 0.05012 0.00436 -0.02148 88 2PZ -0.24601 0.10813 0.05052 0.02214 -0.05308 89 3S 0.21733 -1.38558 -1.17623 -0.05907 0.98207 90 3PX 0.16131 -0.34375 -0.13389 -0.01882 0.10280 91 3PY 1.38282 0.31124 0.32659 -0.00331 -0.27390 92 3PZ -0.97329 0.63022 0.45371 0.03586 -0.48314 93 4XX 0.00477 0.24462 0.22841 0.06157 0.06772 94 4YY -0.64540 -0.23495 -0.28352 0.04531 0.22444 95 4ZZ 0.62288 0.15399 0.09409 0.01961 0.19092 96 4XY 0.13859 -0.05696 -0.14541 0.01291 0.00193 97 4XZ -0.18796 -0.05260 -0.07171 0.02767 -0.03250 98 4YZ -0.36683 0.47009 0.54591 0.00452 -0.02982 99 11 C 1S 0.00654 -0.05214 -0.02010 0.02128 -0.00046 100 2S -0.09689 -0.35710 0.32856 -0.35008 0.48864 101 2PX 0.12177 0.00973 -0.02298 -0.00071 -0.00822 102 2PY 0.12839 -0.00596 -0.09204 0.01532 -0.00353 103 2PZ -0.31018 0.10856 0.17197 0.01097 -0.03407 104 3S -0.71214 2.19410 0.31342 0.34433 -1.33296 105 3PX 0.58030 0.09657 0.21531 0.02623 0.03073 106 3PY 0.20493 -1.00329 -0.07225 -0.22753 0.79777 107 3PZ -1.32173 -0.06948 0.12062 -0.14610 0.02977 108 4XX 0.20197 0.04301 -0.10824 0.15653 -0.15498 109 4YY -0.06424 -0.29906 -0.37345 0.12155 -0.12546 110 4ZZ -0.21652 0.32915 0.32810 0.15166 -0.17993 111 4XY -0.24068 0.02025 -0.00162 -0.00231 -0.00910 112 4XZ -0.06495 -0.27473 -0.27258 -0.01694 0.08258 113 4YZ 0.56790 0.01048 -0.00978 0.02035 0.01426 114 12 C 1S 0.00079 0.04247 0.01462 -0.00349 0.01397 115 2S -0.02984 0.23155 -0.15362 0.15357 -0.53000 116 2PX 0.07580 0.06200 0.06472 0.01318 0.00692 117 2PY -0.12476 -0.03601 -0.03853 -0.02596 -0.00337 118 2PZ -0.08795 -0.08294 -0.04309 -0.02070 0.05048 119 3S -0.15509 -1.84681 -0.02730 -0.26558 1.18578 120 3PX 0.49732 0.57180 -0.12099 0.15413 -0.62692 121 3PY -0.75718 0.29865 -0.13930 -0.01250 -0.38960 122 3PZ -0.25191 -0.29491 -0.04200 -0.08373 0.13367 123 4XX -0.18935 -0.02243 -0.00562 -0.07038 0.17105 124 4YY 0.36489 -0.03016 -0.00689 -0.03275 0.20806 125 4ZZ -0.18383 0.05645 0.13577 -0.05665 0.18887 126 4XY 0.07605 0.15434 0.18497 0.01805 -0.00117 127 4XZ 0.22097 0.11094 0.06755 0.04178 -0.05872 128 4YZ -0.09468 -0.12340 -0.17092 -0.00162 0.00196 129 13 C 1S -0.00078 -0.04247 -0.01462 -0.00349 -0.01410 130 2S 0.02983 -0.23156 0.15361 0.15362 0.53078 131 2PX -0.07579 -0.06200 -0.06472 0.01318 -0.00693 132 2PY -0.12478 -0.03602 -0.03853 0.02596 -0.00335 133 2PZ 0.08792 0.08292 0.04308 -0.02070 -0.05048 134 3S 0.15505 1.84677 0.02728 -0.26555 -1.18536 135 3PX -0.49726 -0.57183 0.12100 0.15413 0.62700 136 3PY -0.75723 0.29857 -0.13930 0.01250 -0.38956 137 3PZ 0.25181 0.29488 0.04197 -0.08368 -0.13366 138 4XX 0.18938 0.02244 0.00562 -0.07040 -0.17157 139 4YY -0.36484 0.03021 0.00696 -0.03278 -0.20850 140 4ZZ 0.18378 -0.05650 -0.13582 -0.05667 -0.18936 141 4XY 0.07614 0.15434 0.18499 -0.01805 -0.00116 142 4XZ -0.22095 -0.11091 -0.06749 0.04177 0.05873 143 4YZ -0.09475 -0.12339 -0.17089 0.00163 0.00196 144 14 C 1S -0.00654 0.05214 0.02010 0.02127 0.00039 145 2S 0.09690 0.35709 -0.32854 -0.35005 -0.48820 146 2PX -0.12178 -0.00974 0.02298 -0.00070 0.00824 147 2PY 0.12833 -0.00593 -0.09201 -0.01532 -0.00351 148 2PZ 0.31021 -0.10855 -0.17198 0.01098 0.03410 149 3S 0.71208 -2.19398 -0.31340 0.34441 1.33303 150 3PX -0.58032 -0.09653 -0.21529 0.02616 -0.03078 151 3PY 0.20466 -1.00327 -0.07220 0.22756 0.79774 152 3PZ 1.32167 0.06927 -0.12062 -0.14601 -0.02959 153 4XX -0.20197 -0.04304 0.10821 0.15651 0.15475 154 4YY 0.06402 0.29905 0.37344 0.12154 0.12518 155 4ZZ 0.21673 -0.32912 -0.32808 0.15163 0.17973 156 4XY -0.24071 0.02018 -0.00170 0.00231 -0.00906 157 4XZ 0.06488 0.27473 0.27256 -0.01695 -0.08264 158 4YZ 0.56784 0.01062 -0.00960 -0.02035 0.01426 159 15 C 1S 0.00194 -0.03545 -0.04250 0.01059 -0.02431 160 2S -0.01620 0.24356 -0.02641 -0.10533 0.29827 161 2PX -0.06400 0.00055 0.00423 -0.01507 -0.03563 162 2PY 0.40655 0.03708 0.05013 -0.00438 -0.02146 163 2PZ 0.24608 -0.10813 -0.05050 0.02214 0.05307 164 3S -0.21724 1.38551 1.17622 -0.05918 -0.98183 165 3PX -0.16135 0.34373 0.13386 -0.01878 -0.10281 166 3PY 1.38260 0.31134 0.32669 0.00332 -0.27400 167 3PZ 0.97351 -0.63011 -0.45366 0.03591 0.48312 168 4XX -0.00478 -0.24461 -0.22838 0.06152 -0.06818 169 4YY 0.64551 0.23479 0.28336 0.04524 -0.22487 170 4ZZ -0.62298 -0.15386 -0.09392 0.01955 -0.19140 171 4XY 0.13853 -0.05698 -0.14544 -0.01291 0.00192 172 4XZ 0.18799 0.05257 0.07169 0.02767 0.03251 173 4YZ -0.36658 0.47016 0.54598 -0.00452 -0.02982 174 16 H 1S -0.00508 -0.21477 -0.21440 0.00762 -0.02686 175 2S 0.02162 -0.06658 0.00721 -0.00076 0.14035 176 17 H 1S 0.01990 0.12497 0.16482 -0.01641 0.00053 177 2S -0.04839 0.11958 -0.09069 0.10147 -0.20455 178 18 H 1S 0.02204 0.07027 -0.10049 0.03223 -0.12407 179 2S 0.02854 0.04622 0.10962 -0.02982 0.03707 180 19 H 1S -0.02203 -0.07026 0.10050 0.03223 0.12412 181 2S -0.02852 -0.04625 -0.10962 -0.02981 -0.03715 182 20 H 1S -0.01989 -0.12497 -0.16481 -0.01642 -0.00049 183 2S 0.04839 -0.11958 0.09071 0.10146 0.20448 184 21 H 1S 0.00507 0.21477 0.21441 0.00764 0.02692 185 2S -0.02162 0.06656 -0.00720 -0.00077 -0.14046 186 22 H 1S -0.01129 0.01645 -0.00715 0.00452 -0.00952 187 2S -0.03330 -0.02634 0.06464 -0.02361 0.18379 188 23 H 1S 0.01129 -0.01646 0.00715 0.00452 0.00957 189 2S 0.03330 0.02635 -0.06464 -0.02361 -0.18394 181 182 183 184 185 V V V V V Eigenvalues -- 4.12773 4.22312 4.28836 4.36076 4.37991 1 1 C 1S -0.18302 0.10059 0.09061 -0.27579 0.12024 2 2S 1.20764 -0.54863 -0.32816 1.45122 -0.95888 3 2PX 0.05566 -0.00614 -0.00602 0.02185 -0.01401 4 2PY 0.07563 -0.05436 0.01796 0.04594 0.08728 5 2PZ -0.02623 -0.00177 0.03051 -0.09477 0.02036 6 3S 0.35498 -0.35466 -0.20583 1.13142 -0.45546 7 3PX 0.00761 -0.20474 0.06650 0.03540 0.26332 8 3PY -0.02739 0.09968 -0.20188 -0.04240 0.02993 9 3PZ -0.07826 0.15659 -0.12815 0.19996 0.05406 10 4XX -0.75735 0.37141 0.27097 -1.08518 0.58681 11 4YY -0.66481 0.34409 0.26070 -0.94487 0.65250 12 4ZZ -0.73893 0.40181 0.32035 -1.06017 0.53443 13 4XY -0.02145 0.03175 0.01097 -0.03347 0.03562 14 4XZ 0.03286 -0.05196 0.02878 0.05812 -0.01301 15 4YZ -0.00119 -0.01905 0.02273 -0.00514 -0.00503 16 2 C 1S -0.18307 0.10058 0.09060 -0.27584 -0.12012 17 2S 1.20818 -0.54856 -0.32806 1.45166 0.95825 18 2PX 0.05576 -0.00613 -0.00601 0.02187 0.01400 19 2PY -0.07556 0.05436 -0.01796 -0.04589 0.08730 20 2PZ -0.02628 -0.00176 0.03050 -0.09478 -0.02031 21 3S 0.35306 -0.35486 -0.20597 1.13152 0.45485 22 3PX 0.00855 -0.20462 0.06656 0.03533 -0.26331 23 3PY 0.02776 -0.09965 0.20191 0.04242 0.02989 24 3PZ -0.07935 0.15644 -0.12823 0.19987 -0.05418 25 4XX -0.75765 0.37137 0.27091 -1.08545 -0.58633 26 4YY -0.66513 0.34404 0.26064 -0.94516 -0.65208 27 4ZZ -0.73917 0.40177 0.32029 -1.06041 -0.53396 28 4XY 0.02144 -0.03174 -0.01097 0.03347 0.03561 29 4XZ 0.03296 -0.05195 0.02879 0.05813 0.01299 30 4YZ 0.00120 0.01904 -0.02274 0.00515 -0.00504 31 3 C 1S 0.06785 -0.06134 -0.42861 -0.17072 0.00005 32 2S -0.26745 0.31210 2.39257 1.13152 -0.00031 33 2PX -0.01373 -0.00848 -0.14971 -0.07005 0.00002 34 2PY -0.00002 0.00000 -0.00001 0.00000 0.00601 35 2PZ 0.00851 -0.01774 0.07129 0.00906 0.00000 36 3S -0.74299 0.52684 2.26339 0.82200 -0.00030 37 3PX -0.18672 0.12183 0.01978 -0.02606 -0.00002 38 3PY -0.00014 0.00000 0.00000 0.00003 0.17738 39 3PZ 0.13630 0.02832 -0.14153 0.17692 -0.00003 40 4XX 0.20194 -0.22592 -1.67870 -0.75758 0.00021 41 4YY 0.24016 -0.23759 -1.86087 -0.78527 0.00023 42 4ZZ 0.23529 -0.22878 -1.60921 -0.67924 0.00019 43 4XY 0.00004 0.00000 0.00000 -0.00001 -0.03134 44 4XZ 0.03821 -0.01923 0.03403 0.05071 -0.00001 45 4YZ 0.00000 0.00000 -0.00001 0.00000 0.01151 46 4 O 1S -0.03052 0.02757 0.08775 0.05963 -0.09839 47 2S -0.07693 0.07149 -0.03061 0.03475 -0.08398 48 2PX 0.04506 -0.03054 -0.04020 0.03316 -0.03982 49 2PY -0.01093 0.00972 0.06794 0.05892 -0.05579 50 2PZ -0.01365 0.00788 0.01265 -0.02924 0.01996 51 3S 0.52133 -0.50777 -0.92926 -0.87242 1.11732 52 3PX 0.01413 -0.04610 -0.04701 -0.07124 0.00087 53 3PY 0.16982 -0.13670 0.07216 -0.02220 0.12720 54 3PZ -0.07471 0.05806 0.05946 -0.04045 -0.01703 55 4XX -0.04532 0.05027 0.32260 0.29624 -0.36389 56 4YY -0.09461 0.09536 0.51937 0.26068 -0.33379 57 4ZZ -0.06862 0.06965 0.22721 0.23742 -0.36677 58 4XY 0.04601 -0.04976 -0.18210 -0.03610 -0.02548 59 4XZ -0.08214 0.05307 -0.02574 -0.12287 0.04393 60 4YZ -0.04634 0.03489 0.07197 -0.03686 0.02139 61 5 H 1S 0.08550 -0.01538 -0.08032 0.09932 -0.05367 62 2S -0.17871 0.25296 -0.01524 -0.23738 0.12472 63 6 H 1S 0.08551 -0.01538 -0.08031 0.09934 0.05364 64 2S -0.17902 0.25292 -0.01527 -0.23745 -0.12460 65 7 H 1S 0.02020 0.01060 0.05892 0.05652 -0.00001 66 2S 0.08294 -0.03969 -0.53080 -0.14943 0.00004 67 8 O 1S -0.03079 0.02755 0.08773 0.05966 0.09834 68 2S -0.07735 0.07145 -0.03065 0.03477 0.08393 69 2PX 0.04502 -0.03054 -0.04020 0.03317 0.03981 70 2PY 0.01104 -0.00971 -0.06794 -0.05894 -0.05575 71 2PZ -0.01362 0.00788 0.01264 -0.02925 -0.01995 72 3S 0.52502 -0.50744 -0.92900 -0.87276 -1.11658 73 3PX 0.01470 -0.04604 -0.04696 -0.07121 -0.00080 74 3PY -0.17038 0.13664 -0.07221 0.02223 0.12714 75 3PZ -0.07514 0.05802 0.05941 -0.04046 0.01704 76 4XX -0.04609 0.05021 0.32255 0.29638 0.36368 77 4YY -0.09546 0.09530 0.51934 0.26080 0.33357 78 4ZZ -0.06953 0.06958 0.22714 0.23755 0.36659 79 4XY -0.04609 0.04974 0.18209 0.03610 -0.02551 80 4XZ -0.08230 0.05306 -0.02574 -0.12289 -0.04389 81 4YZ 0.04641 -0.03487 -0.07193 0.03688 0.02137 82 9 H 1S 0.00293 -0.00866 0.09799 0.01490 0.00000 83 2S 0.05664 -0.11183 -0.43834 -0.26355 0.00008 84 10 C 1S -0.19031 0.18107 -0.13468 0.18643 -0.20252 85 2S 1.30285 -0.98155 0.76669 -0.99239 1.24516 86 2PX 0.01590 0.02948 0.00633 -0.02437 0.02511 87 2PY -0.05774 0.05012 -0.03795 0.02341 0.15014 88 2PZ -0.00247 -0.11867 0.06639 -0.06851 0.03162 89 3S 0.42744 -0.86348 0.39941 -0.65991 0.31033 90 3PX -0.04825 -0.03737 -0.01642 0.04630 -0.23237 91 3PY 0.06493 -0.04973 -0.01282 0.00366 -0.07484 92 3PZ 0.06499 0.23157 -0.07155 0.11540 0.35727 93 4XX -0.74224 0.69641 -0.51565 0.70845 -0.78050 94 4YY -0.70195 0.61150 -0.47300 0.63285 -0.97481 95 4ZZ -0.76250 0.75277 -0.54280 0.71398 -0.76638 96 4XY 0.00398 0.02521 0.00237 -0.01240 0.02200 97 4XZ 0.01013 -0.01210 0.02129 -0.03392 -0.00279 98 4YZ 0.00258 -0.04906 0.01558 0.00419 0.01321 99 11 C 1S -0.10302 -0.11082 0.00689 0.03330 -0.19975 100 2S 0.63248 0.56281 -0.06315 -0.05343 0.75256 101 2PX 0.02045 0.05660 0.00893 0.00106 0.02358 102 2PY -0.04703 0.03490 -0.02492 0.01997 0.05243 103 2PZ 0.05371 -0.12199 0.04170 -0.05462 0.08301 104 3S 0.21580 0.58945 -0.18190 -0.07738 1.41536 105 3PX 0.02618 -0.18220 -0.07266 0.08901 0.07497 106 3PY -0.01295 -0.05877 -0.00194 0.01310 -0.65990 107 3PZ -0.05900 0.21455 0.05952 0.09843 0.04524 108 4XX -0.35812 -0.33475 0.04019 0.04420 -0.69436 109 4YY -0.40608 -0.44932 0.03327 0.11980 -0.64337 110 4ZZ -0.28603 -0.45916 0.10193 0.00857 -0.55279 111 4XY -0.03071 -0.04267 0.02454 -0.02967 -0.02057 112 4XZ -0.07310 -0.01761 -0.01909 -0.00588 -0.10663 113 4YZ -0.00649 0.11337 -0.04781 0.03082 -0.03357 114 12 C 1S -0.16668 -0.27396 -0.01262 0.03682 -0.14555 115 2S 1.05887 1.43483 0.08083 -0.21176 0.92168 116 2PX -0.00379 0.02895 0.00404 -0.03258 0.03211 117 2PY -0.02773 -0.00366 -0.00605 0.00004 0.04600 118 2PZ -0.00013 -0.01929 0.01523 -0.02700 -0.00130 119 3S 0.45140 1.16028 0.14635 -0.11264 0.17962 120 3PX 0.08689 -0.06496 -0.03718 0.07536 0.10579 121 3PY 0.03839 0.08212 0.05335 -0.01176 0.05405 122 3PZ -0.04842 0.02894 -0.03542 0.11935 -0.31033 123 4XX -0.67065 -1.04072 -0.04533 0.13855 -0.58039 124 4YY -0.57893 -0.90588 -0.04692 0.13116 -0.66275 125 4ZZ -0.66519 -1.02840 -0.05447 0.14413 -0.54409 126 4XY -0.00558 -0.02545 -0.00111 0.01230 -0.02345 127 4XZ -0.00025 -0.03210 0.01159 -0.01207 -0.02703 128 4YZ 0.00894 0.00801 0.00244 -0.00568 0.03006 129 13 C 1S -0.16667 -0.27396 -0.01261 0.03689 0.14553 130 2S 1.05850 1.43481 0.08080 -0.21232 -0.92158 131 2PX -0.00378 0.02895 0.00404 -0.03260 -0.03209 132 2PY 0.02774 0.00366 0.00605 -0.00002 0.04600 133 2PZ -0.00009 -0.01928 0.01523 -0.02700 0.00132 134 3S 0.45220 1.16033 0.14636 -0.11262 -0.17960 135 3PX 0.08648 -0.06495 -0.03723 0.07523 -0.10587 136 3PY -0.03812 -0.08211 -0.05336 0.01187 0.05400 137 3PZ -0.04834 0.02896 -0.03546 0.11953 0.31025 138 4XX -0.67052 -1.04071 -0.04532 0.13888 0.58033 139 4YY -0.57878 -0.90587 -0.04689 0.13153 0.66268 140 4ZZ -0.66506 -1.02840 -0.05445 0.14445 0.54404 141 4XY 0.00557 0.02544 0.00111 -0.01231 -0.02346 142 4XZ -0.00028 -0.03211 0.01159 -0.01207 0.02703 143 4YZ -0.00893 -0.00800 -0.00244 0.00569 0.03007 144 14 C 1S -0.10301 -0.11084 0.00691 0.03337 0.19973 145 2S 0.63271 0.56293 -0.06319 -0.05365 -0.75255 146 2PX 0.02044 0.05660 0.00892 0.00105 -0.02358 147 2PY 0.04703 -0.03488 0.02491 -0.01994 0.05244 148 2PZ 0.05369 -0.12199 0.04169 -0.05466 -0.08298 149 3S 0.21483 0.58946 -0.18207 -0.07805 -1.41527 150 3PX 0.02620 -0.18219 -0.07263 0.08898 -0.07498 151 3PY 0.01240 0.05871 0.00188 -0.01349 -0.65988 152 3PZ -0.05897 0.21454 0.05953 0.09839 -0.04542 153 4XX -0.35816 -0.33483 0.04024 0.04443 0.69435 154 4YY -0.40611 -0.44936 0.03330 0.12003 0.64333 155 4ZZ -0.28610 -0.45928 0.10198 0.00873 0.55277 156 4XY 0.03074 0.04268 -0.02453 0.02965 -0.02060 157 4XZ -0.07303 -0.01760 -0.01909 -0.00582 0.10663 158 4YZ 0.00645 -0.11336 0.04779 -0.03081 -0.03354 159 15 C 1S -0.19028 0.18106 -0.13465 0.18651 0.20246 160 2S 1.30256 -0.98153 0.76648 -0.99291 -1.24490 161 2PX 0.01592 0.02948 0.00633 -0.02437 -0.02510 162 2PY 0.05777 -0.05010 0.03796 -0.02334 0.15015 163 2PZ -0.00249 -0.11868 0.06639 -0.06853 -0.03157 164 3S 0.42813 -0.86341 0.39938 -0.65985 -0.31013 165 3PX -0.04815 -0.03737 -0.01642 0.04640 0.23234 166 3PY -0.06472 0.04969 0.01281 -0.00366 -0.07476 167 3PZ 0.06461 0.23155 -0.07160 0.11520 -0.35732 168 4XX -0.74215 0.69638 -0.51554 0.70875 0.78030 169 4YY -0.70173 0.61146 -0.47284 0.63325 0.97463 170 4ZZ -0.76233 0.75277 -0.54268 0.71430 0.76619 171 4XY -0.00399 -0.02520 -0.00237 0.01241 0.02199 172 4XZ 0.01011 -0.01211 0.02128 -0.03392 0.00281 173 4YZ -0.00255 0.04903 -0.01555 -0.00420 0.01325 174 16 H 1S 0.07593 -0.05786 0.06029 -0.08989 0.04491 175 2S -0.19387 0.08324 -0.09693 0.16676 -0.26638 176 17 H 1S 0.05966 0.04748 0.00785 -0.02033 0.08244 177 2S -0.08694 -0.12400 0.01697 0.03340 0.05226 178 18 H 1S 0.06644 0.07178 -0.00419 0.00009 0.02483 179 2S -0.15157 -0.27591 -0.06143 0.13365 -0.20286 180 19 H 1S 0.06635 0.07179 -0.00420 0.00006 -0.02482 181 2S -0.15155 -0.27589 -0.06143 0.13377 0.20279 182 20 H 1S 0.05965 0.04749 0.00785 -0.02036 -0.08244 183 2S -0.08706 -0.12402 0.01698 0.03334 -0.05227 184 21 H 1S 0.07592 -0.05786 0.06027 -0.08991 -0.04488 185 2S -0.19374 0.08324 -0.09690 0.16688 0.26632 186 22 H 1S 0.06814 0.08769 -0.00115 -0.02106 0.08580 187 2S -0.19230 -0.25763 0.00877 -0.04892 -0.15906 188 23 H 1S 0.06814 0.08769 -0.00114 -0.02111 -0.08579 189 2S -0.19218 -0.25764 0.00879 -0.04882 0.15910 186 187 188 189 V V V V Eigenvalues -- 4.44863 4.50900 4.60326 4.87096 1 1 C 1S 0.03357 -0.04657 0.31063 -0.18579 2 2S 0.05316 0.23162 -1.25874 0.07125 3 2PX 0.01410 -0.00469 0.00585 -0.07540 4 2PY 0.01684 -0.02112 0.14750 -0.04652 5 2PZ 0.00967 0.02965 0.10664 -0.04508 6 3S -0.59256 0.11331 -3.68964 4.80632 7 3PX 0.01170 0.53476 0.13458 -0.43913 8 3PY 0.09405 -0.21267 -0.93525 1.07433 9 3PZ -0.24081 -0.51664 -0.73567 1.72963 10 4XX 0.03744 -0.17790 1.10342 -0.39261 11 4YY 0.07343 -0.23342 1.31693 -0.58795 12 4ZZ 0.07166 -0.17556 1.09343 -0.47053 13 4XY 0.02966 -0.01088 -0.00411 0.00300 14 4XZ -0.01269 0.05355 -0.02105 -0.01954 15 4YZ 0.01694 0.02536 -0.05677 0.02249 16 2 C 1S 0.03356 0.04658 -0.31065 0.18579 17 2S 0.05324 -0.23168 1.25878 -0.07123 18 2PX 0.01410 0.00469 -0.00586 0.07540 19 2PY -0.01683 -0.02110 0.14752 -0.04652 20 2PZ 0.00966 -0.02965 -0.10663 0.04507 21 3S -0.59236 -0.11336 3.68974 -4.80625 22 3PX 0.01169 -0.53478 -0.13455 0.43917 23 3PY -0.09404 -0.21275 -0.93534 1.07455 24 3PZ -0.24076 0.51665 0.73563 -1.72959 25 4XX 0.03738 0.17795 -1.10346 0.39260 26 4YY 0.07335 0.23346 -1.31696 0.58793 27 4ZZ 0.07159 0.17562 -1.09348 0.47050 28 4XY -0.02966 -0.01088 -0.00411 0.00300 29 4XZ -0.01269 -0.05355 0.02105 0.01954 30 4YZ -0.01694 0.02537 -0.05679 0.02250 31 3 C 1S -0.04516 0.00000 0.00000 -0.00001 32 2S 0.21437 0.00001 0.00001 0.00001 33 2PX -0.05543 0.00000 0.00000 0.00000 34 2PY 0.00000 0.00104 0.02510 -0.05383 35 2PZ 0.00666 0.00000 0.00000 0.00000 36 3S -0.03204 0.00006 0.00004 0.00007 37 3PX -0.02945 0.00002 0.00001 0.00002 38 3PY 0.00000 -0.06127 0.10478 -0.04681 39 3PZ 0.10202 0.00000 0.00002 -0.00002 40 4XX -0.18207 -0.00001 0.00000 -0.00002 41 4YY -0.15448 -0.00001 -0.00001 -0.00002 42 4ZZ -0.17175 -0.00001 0.00000 -0.00002 43 4XY 0.00000 -0.00814 -0.02061 0.02147 44 4XZ -0.00265 0.00000 0.00000 0.00000 45 4YZ 0.00000 -0.01137 -0.00286 -0.00295 46 4 O 1S -0.05013 0.00619 -0.07060 0.14314 47 2S -0.11588 -0.04398 -0.10894 0.38786 48 2PX -0.01284 0.02067 -0.03438 0.04986 49 2PY -0.01933 0.01533 -0.04153 0.05879 50 2PZ 0.01893 0.00465 0.03697 -0.02492 51 3S 0.80741 0.22423 1.35900 -2.85336 52 3PX 0.10598 0.10666 0.14817 -0.66253 53 3PY 0.15816 0.03382 0.16455 -0.41691 54 3PZ -0.09109 -0.11111 -0.05956 0.29677 55 4XX -0.14929 0.06136 -0.26267 0.37546 56 4YY -0.12360 0.02455 -0.25064 0.46336 57 4ZZ -0.18357 0.04020 -0.27992 0.50518 58 4XY -0.01555 0.02517 -0.05488 -0.03118 59 4XZ -0.01551 -0.02930 0.11928 0.01065 60 4YZ 0.00834 -0.02746 0.03855 0.01413 61 5 H 1S 0.02198 -0.08371 -0.05170 -0.00399 62 2S -0.00228 -0.33544 0.08726 0.23158 63 6 H 1S 0.02198 0.08371 0.05170 0.00398 64 2S -0.00229 0.33550 -0.08727 -0.23163 65 7 H 1S 0.04391 0.00000 0.00000 0.00000 66 2S -0.00086 0.00000 0.00000 -0.00001 67 8 O 1S -0.05012 -0.00618 0.07062 -0.14314 68 2S -0.11587 0.04400 0.10897 -0.38787 69 2PX -0.01284 -0.02067 0.03438 -0.04986 70 2PY 0.01933 0.01532 -0.04153 0.05878 71 2PZ 0.01893 -0.00464 -0.03698 0.02492 72 3S 0.80725 -0.22438 -1.35921 2.85335 73 3PX 0.10596 -0.10666 -0.14820 0.66255 74 3PY -0.15813 0.03384 0.16458 -0.41688 75 3PZ -0.09109 0.11111 0.05958 -0.29683 76 4XX -0.14925 -0.06134 0.26272 -0.37545 77 4YY -0.12357 -0.02451 0.25067 -0.46336 78 4ZZ -0.18353 -0.04017 0.27998 -0.50518 79 4XY 0.01555 0.02517 -0.05487 -0.03118 80 4XZ -0.01551 0.02931 -0.11929 -0.01066 81 4YZ -0.00834 -0.02746 0.03854 0.01413 82 9 H 1S 0.01820 0.00000 0.00000 0.00000 83 2S -0.07049 -0.00001 -0.00001 0.00000 84 10 C 1S 0.01482 0.22772 0.18751 0.02367 85 2S -0.07476 -1.10174 -0.87600 -0.19540 86 2PX 0.03170 0.02201 0.00767 0.03082 87 2PY 0.08350 -0.08455 -0.07765 0.04055 88 2PZ -0.11330 -0.12292 -0.10412 -0.02171 89 3S -0.55748 -2.39776 -1.65069 -2.53702 90 3PX -0.04402 -0.12171 -0.00213 -0.46819 91 3PY -0.08338 0.40537 0.52390 0.14018 92 3PZ 0.18044 0.68155 0.22435 1.21928 93 4XX 0.06736 0.82484 0.66253 0.08849 94 4YY 0.09244 1.03230 0.86142 0.19247 95 4ZZ 0.16980 0.87003 0.71315 0.20352 96 4XY 0.02654 0.03947 -0.02522 0.04575 97 4XZ -0.03534 -0.02943 -0.03318 -0.02865 98 4YZ -0.13442 -0.09297 -0.08394 -0.13414 99 11 C 1S -0.32494 -0.08605 -0.02299 -0.39277 100 2S 1.72560 0.30497 0.55045 0.87376 101 2PX 0.00028 0.02471 0.00171 0.04533 102 2PY 0.10205 0.06427 0.03232 0.21924 103 2PZ -0.01357 -0.08249 -0.04366 -0.00575 104 3S 2.16772 0.90217 0.12136 5.51948 105 3PX -0.01950 -0.15428 0.31108 -0.05238 106 3PY -0.23905 -0.30459 -0.00222 -2.02340 107 3PZ -0.10248 0.27106 -0.03779 0.03681 108 4XX -1.23480 -0.21707 -0.24283 -1.19478 109 4YY -1.24400 -0.31253 -0.19375 -1.21158 110 4ZZ -1.34426 -0.40309 -0.32816 -1.30170 111 4XY 0.03539 -0.04848 -0.05222 0.04595 112 4XZ 0.10948 -0.03196 0.03954 0.05687 113 4YZ 0.01721 0.10897 0.02982 0.00121 114 12 C 1S 0.15487 -0.29140 0.11660 0.17101 115 2S -0.79103 1.32782 -0.58131 -0.43144 116 2PX -0.05394 0.05424 -0.04243 0.02026 117 2PY 0.02485 0.05014 -0.01611 0.00946 118 2PZ 0.05703 -0.03210 0.00605 0.00108 119 3S -1.21243 2.29874 -1.01382 -3.92822 120 3PX 0.17615 -0.15608 0.15130 0.65368 121 3PY -0.10619 -0.32363 0.04781 0.64197 122 3PZ -0.15412 -0.00267 0.05635 -0.74950 123 4XX 0.63453 -1.02470 0.43300 0.51976 124 4YY 0.53337 -1.17943 0.50575 0.59557 125 4ZZ 0.65530 -1.01248 0.42346 0.54989 126 4XY -0.08111 0.00042 -0.03830 -0.09695 127 4XZ -0.08051 -0.02238 -0.03038 -0.06910 128 4YZ 0.07655 -0.02105 -0.00168 0.09883 129 13 C 1S 0.15489 0.29138 -0.11662 -0.17101 130 2S -0.79112 -1.32773 0.58138 0.43145 131 2PX -0.05394 -0.05424 0.04243 -0.02025 132 2PY -0.02486 0.05013 -0.01610 0.00945 133 2PZ 0.05703 0.03211 -0.00605 -0.00107 134 3S -1.21260 -2.29856 1.01392 3.92815 135 3PX 0.17615 0.15604 -0.15130 -0.65379 136 3PY 0.10619 -0.32362 0.04777 0.64184 137 3PZ -0.15412 0.00263 -0.05636 0.74951 138 4XX 0.63461 1.02462 -0.43305 -0.51975 139 4YY 0.53348 1.17937 -0.50580 -0.59561 140 4ZZ 0.65533 1.01240 -0.42352 -0.54987 141 4XY 0.08114 0.00040 -0.03830 -0.09696 142 4XZ -0.08049 0.02239 0.03038 0.06908 143 4YZ -0.07657 -0.02102 -0.00168 0.09881 144 14 C 1S -0.32494 0.08608 0.02301 0.39277 145 2S 1.72554 -0.30512 -0.55056 -0.87375 146 2PX 0.00028 -0.02471 -0.00171 -0.04533 147 2PY -0.10204 0.06427 0.03231 0.21923 148 2PZ -0.01358 0.08251 0.04366 0.00579 149 3S 2.16774 -0.90247 -0.12159 -5.51933 150 3PX -0.01952 0.15429 -0.31105 0.05247 151 3PY 0.23906 -0.30461 -0.00218 -2.02337 152 3PZ -0.10243 -0.27112 0.03781 -0.03724 153 4XX -1.23477 0.21718 0.24292 1.19475 154 4YY -1.24397 0.31260 0.19382 1.21158 155 4ZZ -1.34421 0.40326 0.32826 1.30166 156 4XY -0.03542 -0.04849 -0.05221 0.04597 157 4XZ 0.10947 0.03194 -0.03956 -0.05686 158 4YZ -0.01717 0.10896 0.02980 0.00118 159 15 C 1S 0.01478 -0.22774 -0.18752 -0.02363 160 2S -0.07458 1.10181 0.87604 0.19530 161 2PX 0.03170 -0.02201 -0.00767 -0.03081 162 2PY -0.08350 -0.08457 -0.07766 0.04056 163 2PZ -0.11330 0.12292 0.10412 0.02169 164 3S -0.55723 2.39793 1.65080 2.53685 165 3PX -0.04401 0.12172 0.00209 0.46816 166 3PY 0.08342 0.40550 0.52391 0.14037 167 3PZ 0.18042 -0.68157 -0.22428 -1.21916 168 4XX 0.06724 -0.82491 -0.66258 -0.08838 169 4YY 0.09223 -1.03233 -0.86144 -0.19233 170 4ZZ 0.16970 -0.87014 -0.71322 -0.20345 171 4XY -0.02653 0.03947 -0.02521 0.04576 172 4XZ -0.03535 0.02944 0.03320 0.02865 173 4YZ 0.13438 -0.09301 -0.08397 -0.13414 174 16 H 1S 0.02602 -0.05784 -0.05290 -0.00955 175 2S 0.00586 0.03005 0.10345 -0.20095 176 17 H 1S 0.06098 0.02978 0.02734 0.05775 177 2S -0.29864 -0.01812 -0.01169 0.08155 178 18 H 1S -0.01555 -0.01870 0.01554 0.11008 179 2S 0.16934 -0.32373 0.21106 0.09261 180 19 H 1S -0.01554 0.01869 -0.01554 -0.11007 181 2S 0.16934 0.32367 -0.21109 -0.09263 182 20 H 1S 0.06098 -0.02979 -0.02732 -0.05777 183 2S -0.29864 0.01813 0.01175 -0.08156 184 21 H 1S 0.02603 0.05785 0.05290 0.00953 185 2S 0.00584 -0.03004 -0.10347 0.20094 186 22 H 1S -0.00550 0.02202 -0.00317 0.13585 187 2S 0.14798 -0.27659 0.04653 0.15716 188 23 H 1S -0.00550 -0.02201 0.00317 -0.13586 189 2S 0.14802 0.27659 -0.04655 -0.15714 Density Matrix: 1 2 3 4 5 1 1 C 1S 2.05261 2 2S -0.06334 0.33256 3 2PX -0.01176 0.01998 0.35371 4 2PY -0.00634 0.01501 -0.03631 0.42804 5 2PZ 0.01404 -0.02170 0.01905 0.02886 0.37250 6 3S -0.17198 0.27273 0.08760 -0.01080 -0.02659 7 3PX -0.02120 0.04292 0.18177 -0.03495 0.08694 8 3PY -0.00657 0.00325 -0.04956 0.11867 -0.01996 9 3PZ 0.00674 -0.02185 0.07208 -0.00935 0.15202 10 4XX -0.01239 -0.01159 -0.01053 -0.00768 0.01099 11 4YY -0.01714 -0.00125 0.00616 0.01253 -0.00529 12 4ZZ -0.01510 -0.00556 0.00141 -0.01278 -0.00455 13 4XY 0.00069 -0.00120 -0.00172 -0.00375 0.01206 14 4XZ 0.00382 -0.00899 0.00965 0.01029 -0.00675 15 4YZ -0.00389 0.00798 0.01323 -0.00743 -0.00864 16 2 C 1S 0.01932 -0.04074 -0.01093 -0.08149 -0.00946 17 2S -0.04074 0.07597 0.02249 0.16744 0.01924 18 2PX -0.01094 0.02249 0.16290 -0.01403 0.10689 19 2PY 0.08149 -0.16744 0.01403 -0.32253 0.03100 20 2PZ -0.00945 0.01923 0.10689 -0.03104 0.12972 21 3S 0.00367 0.02478 0.04729 0.13773 0.06414 22 3PX -0.00177 0.00269 0.10791 -0.01351 0.06752 23 3PY 0.00213 -0.01919 0.01647 -0.09538 0.01933 24 3PZ -0.00504 0.01675 0.06605 -0.03742 0.08653 25 4XX 0.00306 -0.00698 0.00153 -0.01249 0.00060 26 4YY -0.00652 0.01196 -0.00050 0.00768 0.00132 27 4ZZ 0.00376 -0.00871 -0.00354 -0.01074 -0.00492 28 4XY 0.00011 -0.00072 -0.01305 0.00508 -0.00442 29 4XZ -0.00126 0.00299 -0.00134 0.00510 -0.00098 30 4YZ -0.00094 0.00176 -0.00411 -0.00039 -0.01358 31 3 C 1S -0.00314 0.00638 -0.01152 0.00990 0.00088 32 2S 0.00673 -0.01754 0.03150 -0.03286 0.00092 33 2PX 0.01268 -0.03068 0.02354 -0.02099 -0.02323 34 2PY -0.00315 0.00785 -0.03052 -0.02359 0.03727 35 2PZ -0.00739 0.01915 -0.02701 0.00821 -0.00102 36 3S 0.01015 -0.01295 0.04935 -0.04941 -0.00081 37 3PX 0.01056 -0.01965 -0.00272 -0.01597 -0.03444 38 3PY -0.00295 0.00740 -0.03169 -0.00310 0.02777 39 3PZ -0.00561 0.00942 -0.01389 0.00428 -0.00634 40 4XX -0.00080 0.00210 -0.00733 -0.00190 0.00471 41 4YY 0.00216 -0.00472 0.00926 0.00494 -0.00647 42 4ZZ -0.00173 0.00371 -0.00745 -0.00112 0.00216 43 4XY 0.00068 -0.00166 0.00086 -0.00201 -0.00227 44 4XZ 0.00080 -0.00197 0.00588 -0.00055 -0.00268 45 4YZ -0.00033 0.00055 -0.00624 0.00076 -0.00037 46 4 O 1S 0.00575 -0.00817 0.02660 0.00953 -0.02436 47 2S -0.01014 0.01261 -0.06256 -0.03256 0.05495 48 2PX -0.05526 0.11975 -0.16220 -0.10595 0.18093 49 2PY -0.02650 0.05514 -0.08201 -0.03447 0.07954 50 2PZ 0.03854 -0.07484 0.18835 0.07734 -0.08634 51 3S 0.00859 -0.01458 -0.03693 0.02899 0.05864 52 3PX -0.02442 0.05739 -0.09467 -0.05563 0.08461 53 3PY -0.02158 0.04412 -0.05066 -0.03050 0.06484 54 3PZ 0.01944 -0.03656 0.09279 0.04358 -0.06402 55 4XX -0.00264 0.00397 0.00732 -0.00643 0.00497 56 4YY -0.00114 0.00121 -0.00361 -0.00068 0.00434 57 4ZZ -0.00133 0.00154 -0.00646 -0.00547 -0.00851 58 4XY -0.00424 0.00849 -0.00830 0.00376 0.00942 59 4XZ 0.00528 -0.00877 0.00426 0.00366 -0.00103 60 4YZ 0.00346 -0.00613 0.01220 -0.00314 -0.00307 61 5 H 1S -0.06712 0.13219 0.07497 -0.16956 -0.18398 62 2S -0.01673 0.03913 0.03835 -0.14223 -0.16122 63 6 H 1S 0.01685 -0.03778 -0.01256 -0.04264 -0.00218 64 2S 0.02111 -0.04292 -0.02474 -0.07153 0.00607 65 7 H 1S -0.00128 0.00252 -0.00527 -0.00494 0.00591 66 2S 0.00094 -0.00187 -0.03559 0.00678 -0.02527 67 8 O 1S -0.00167 0.00506 -0.00606 0.00187 0.00720 68 2S 0.00707 -0.01595 0.01455 -0.01745 -0.01528 69 2PX 0.00948 -0.02371 -0.05406 -0.04110 -0.03138 70 2PY -0.02371 0.05641 -0.02195 0.05732 0.01760 71 2PZ 0.00043 -0.00376 -0.05069 0.04293 -0.05474 72 3S -0.00449 -0.00280 0.04408 0.02610 -0.04176 73 3PX 0.00713 -0.01771 -0.04782 -0.02586 -0.03641 74 3PY -0.01439 0.03754 -0.02403 0.04144 0.00843 75 3PZ 0.00259 -0.00728 -0.05535 0.03221 -0.04924 76 4XX 0.00035 -0.00011 0.00296 -0.00359 0.00422 77 4YY 0.00145 -0.00240 0.00041 -0.00269 0.00110 78 4ZZ 0.00100 -0.00105 -0.00402 -0.00273 -0.00165 79 4XY 0.00095 -0.00216 0.00302 -0.00611 0.00029 80 4XZ 0.00014 -0.00039 0.00122 -0.00119 -0.00038 81 4YZ -0.00075 0.00153 -0.00079 0.00423 -0.00014 82 9 H 1S -0.00640 0.01540 -0.02376 -0.00702 0.01456 83 2S -0.00610 0.01493 -0.04141 0.00541 0.01429 84 10 C 1S -0.00081 0.00108 0.00283 0.00030 0.00256 85 2S 0.00203 -0.00181 -0.00628 -0.00018 -0.00486 86 2PX -0.00961 0.02495 0.07962 -0.00869 0.07392 87 2PY -0.00215 0.00412 0.01586 -0.00476 0.01329 88 2PZ -0.00592 0.01178 0.04182 -0.00047 0.03685 89 3S 0.00054 0.00015 -0.01600 -0.01387 -0.01086 90 3PX -0.00684 0.01759 0.06940 -0.01267 0.06698 91 3PY 0.00000 0.00211 0.02336 -0.00347 0.02405 92 3PZ -0.00510 0.00932 0.04611 -0.00077 0.03744 93 4XX -0.00013 0.00020 0.00029 0.00023 0.00057 94 4YY -0.00010 0.00011 -0.00035 0.00051 -0.00016 95 4ZZ 0.00004 -0.00016 0.00074 -0.00118 0.00058 96 4XY 0.00000 -0.00028 -0.00042 0.00071 0.00046 97 4XZ -0.00007 0.00010 0.00113 -0.00026 0.00087 98 4YZ -0.00005 -0.00032 0.00001 0.00007 0.00003 99 11 C 1S -0.00087 0.00284 0.00614 0.00131 0.00598 100 2S 0.00340 -0.00361 -0.01795 -0.00281 -0.01530 101 2PX -0.00345 0.00871 0.00239 0.01762 0.01206 102 2PY -0.00462 0.00685 0.00664 0.01472 0.00694 103 2PZ -0.00223 0.00600 0.00500 0.00876 0.00835 104 3S -0.00191 -0.00263 0.00497 -0.00301 -0.00919 105 3PX -0.00291 0.00729 0.01484 0.01430 0.02574 106 3PY 0.00119 0.00026 -0.01266 -0.00282 -0.00904 107 3PZ -0.00259 0.00498 -0.00067 0.01855 -0.00178 108 4XX 0.00024 -0.00030 0.00127 -0.00119 0.00139 109 4YY -0.00007 0.00036 -0.00064 0.00103 -0.00063 110 4ZZ 0.00001 0.00038 0.00194 -0.00083 0.00185 111 4XY -0.00027 0.00025 0.00122 0.00074 0.00073 112 4XZ -0.00049 0.00107 0.00619 -0.00141 0.00555 113 4YZ -0.00025 0.00040 0.00130 0.00016 0.00105 114 12 C 1S -0.00111 0.00181 0.00869 -0.00054 0.00636 115 2S 0.00217 -0.00414 -0.01777 0.00136 -0.01399 116 2PX -0.00250 0.00432 0.02088 0.00079 0.01474 117 2PY -0.00146 0.00201 0.00592 0.00077 0.00442 118 2PZ 0.00247 -0.00326 -0.01049 -0.00034 -0.01052 119 3S 0.00506 -0.00646 -0.06640 0.01066 -0.04807 120 3PX -0.00016 -0.00019 0.00533 0.00063 -0.00111 121 3PY -0.00059 -0.00054 -0.00025 0.00521 -0.00525 122 3PZ 0.00228 -0.00320 -0.01256 -0.00323 -0.01129 123 4XX -0.00015 0.00025 0.00239 -0.00105 0.00074 124 4YY 0.00001 -0.00008 -0.00133 0.00075 -0.00048 125 4ZZ -0.00016 0.00035 -0.00044 0.00031 -0.00004 126 4XY -0.00002 -0.00012 0.00015 0.00039 0.00053 127 4XZ -0.00023 0.00039 0.00156 0.00014 0.00103 128 4YZ 0.00005 -0.00009 -0.00041 0.00071 -0.00021 129 13 C 1S -0.00252 0.00480 0.00742 -0.00329 0.00118 130 2S 0.00388 -0.00790 -0.02077 0.00691 -0.00214 131 2PX -0.00833 0.01838 0.02875 -0.01257 0.00753 132 2PY -0.00134 0.00288 0.00193 -0.00483 -0.00437 133 2PZ -0.00374 0.00642 0.00451 -0.00858 -0.00897 134 3S 0.01272 -0.02730 -0.02701 0.02355 -0.01480 135 3PX -0.00698 0.01248 0.00066 -0.00632 0.00749 136 3PY -0.00303 0.00508 0.01966 -0.00941 0.00328 137 3PZ -0.00322 0.00394 0.00521 -0.00968 -0.01192 138 4XX -0.00136 0.00219 0.00744 -0.00215 0.00482 139 4YY 0.00003 -0.00022 -0.00284 0.00071 -0.00169 140 4ZZ 0.00050 -0.00107 -0.00457 0.00135 -0.00251 141 4XY 0.00038 -0.00071 -0.00066 0.00040 -0.00003 142 4XZ -0.00042 0.00107 0.00081 -0.00036 -0.00008 143 4YZ 0.00007 -0.00035 0.00036 -0.00022 0.00084 144 14 C 1S -0.00178 0.00088 -0.00337 -0.00036 -0.00708 145 2S 0.00203 -0.01175 0.00217 0.00341 0.00896 146 2PX 0.01015 -0.01513 -0.09618 0.02838 -0.08499 147 2PY -0.00432 0.00318 0.03274 -0.01781 0.02216 148 2PZ 0.00361 -0.00713 -0.05345 0.01151 -0.05580 149 3S 0.00643 -0.00116 -0.00327 0.00310 0.03657 150 3PX -0.00004 -0.00216 -0.06339 0.01665 -0.06051 151 3PY -0.00140 0.00541 0.00958 0.00035 0.02168 152 3PZ 0.00539 -0.00889 -0.04567 0.02345 -0.04285 153 4XX -0.00117 0.00203 0.00413 -0.00259 0.00356 154 4YY 0.00008 -0.00132 -0.00200 0.00199 -0.00090 155 4ZZ -0.00041 0.00005 0.00061 -0.00069 -0.00119 156 4XY 0.00011 -0.00072 -0.00214 -0.00057 -0.00182 157 4XZ -0.00101 0.00281 0.00601 -0.00293 0.00182 158 4YZ 0.00033 -0.00076 -0.00200 -0.00008 -0.00168 159 15 C 1S -0.00147 0.00106 0.00434 -0.00049 0.00469 160 2S 0.00123 -0.00455 -0.01454 0.00143 -0.01529 161 2PX -0.00411 0.01445 0.01847 -0.00664 0.00157 162 2PY 0.00076 -0.00061 -0.00451 0.00325 -0.00047 163 2PZ -0.00342 0.01439 0.02131 -0.00218 0.01566 164 3S 0.00181 -0.00137 0.02214 -0.01124 0.00470 165 3PX -0.00602 0.01485 0.02983 -0.01357 0.01379 166 3PY 0.00355 -0.00374 0.00268 0.00680 0.00870 167 3PZ -0.00327 0.01038 0.00666 -0.00130 0.01235 168 4XX -0.00073 0.00068 -0.00075 -0.00005 -0.00027 169 4YY -0.00019 -0.00014 -0.00203 0.00055 -0.00171 170 4ZZ -0.00079 0.00054 0.00379 -0.00138 0.00331 171 4XY -0.00064 0.00110 0.00483 -0.00092 0.00453 172 4XZ -0.00042 0.00088 0.00371 -0.00057 0.00410 173 4YZ -0.00008 0.00014 0.00084 -0.00005 0.00075 174 16 H 1S 0.00002 -0.00081 0.00140 -0.00105 -0.00024 175 2S -0.00007 -0.00124 -0.00782 -0.00046 -0.00694 176 17 H 1S -0.00158 0.00237 -0.00430 0.00874 -0.00434 177 2S -0.00290 0.00462 0.00196 0.01591 0.00488 178 18 H 1S -0.00089 0.00093 -0.00030 -0.00055 0.00171 179 2S -0.00225 0.00354 0.01051 -0.00519 0.00986 180 19 H 1S 0.00527 -0.00989 -0.02034 0.00878 -0.00529 181 2S 0.00154 -0.00350 -0.01467 0.00001 -0.01675 182 20 H 1S 0.00352 -0.00613 -0.01583 0.01298 -0.00548 183 2S 0.00300 -0.00426 -0.02177 0.01747 -0.01240 184 21 H 1S -0.00020 0.00178 0.00449 -0.00132 0.00415 185 2S -0.00032 0.00115 0.01194 -0.00115 0.00745 186 22 H 1S -0.00017 -0.00010 0.00825 -0.00090 0.00462 187 2S -0.00101 0.00165 0.02950 -0.00628 0.02402 188 23 H 1S -0.00569 0.01142 0.02669 -0.00982 0.01420 189 2S -0.00774 0.01691 0.06151 -0.01884 0.03321 6 7 8 9 10 6 3S 0.29973 7 3PX 0.06708 0.12473 8 3PY 0.00400 -0.03310 0.05430 9 3PZ 0.00052 0.06146 -0.02262 0.08173 10 4XX -0.00903 -0.00247 -0.00219 0.00351 0.00257 11 4YY -0.00021 -0.00008 0.00157 -0.00049 -0.00066 12 4ZZ -0.00500 0.00044 -0.00161 -0.00234 -0.00051 13 4XY -0.00208 0.00129 -0.00261 0.00470 0.00076 14 4XZ -0.00357 0.00042 0.00122 0.00012 -0.00029 15 4YZ 0.01236 0.00582 -0.00152 -0.00033 -0.00050 16 2 C 1S 0.00367 -0.00176 -0.00213 -0.00504 0.00306 17 2S 0.02478 0.00269 0.01919 0.01675 -0.00698 18 2PX 0.04729 0.10791 -0.01647 0.06605 0.00153 19 2PY -0.13773 0.01351 -0.09538 0.03740 0.01249 20 2PZ 0.06413 0.06752 -0.01935 0.08653 0.00060 21 3S -0.03679 0.02455 -0.00690 0.03436 -0.00353 22 3PX 0.02455 0.06258 -0.01792 0.05315 0.00135 23 3PY 0.00690 0.01792 -0.01861 0.01742 0.00402 24 3PZ 0.03436 0.05315 -0.01742 0.04910 0.00175 25 4XX -0.00353 0.00135 -0.00402 0.00175 0.00068 26 4YY 0.01095 0.00199 0.00317 -0.00132 -0.00030 27 4ZZ -0.00908 -0.00425 -0.00188 -0.00197 0.00019 28 4XY -0.00648 -0.00819 0.00235 -0.00436 0.00013 29 4XZ 0.00359 0.00003 0.00294 -0.00229 -0.00006 30 4YZ 0.00473 -0.00509 0.00302 -0.00620 -0.00048 31 3 C 1S 0.00659 -0.00869 0.00707 -0.00110 -0.00090 32 2S -0.00918 0.01919 -0.01699 0.00906 0.00265 33 2PX -0.04600 0.02153 -0.00387 -0.00788 0.00613 34 2PY -0.01697 -0.02818 -0.02953 0.02186 -0.00294 35 2PZ 0.03497 -0.02188 -0.00445 -0.00484 -0.00296 36 3S 0.00519 0.02303 -0.02300 0.01582 0.00059 37 3PX -0.02794 -0.00700 0.00175 -0.01561 0.00036 38 3PY -0.00490 -0.01051 0.00031 0.00461 0.00021 39 3PZ 0.00687 -0.01224 0.00257 -0.00742 -0.00345 40 4XX -0.00284 -0.00316 0.00097 0.00061 -0.00048 41 4YY -0.00306 0.00456 0.00140 -0.00241 0.00034 42 4ZZ 0.00512 -0.00388 -0.00126 0.00065 0.00021 43 4XY -0.00068 -0.00386 -0.00347 0.00208 -0.00027 44 4XZ -0.00163 0.00126 0.00086 -0.00070 -0.00104 45 4YZ 0.00114 -0.00306 0.00150 -0.00113 0.00104 46 4 O 1S 0.03492 -0.00475 0.01020 0.00953 -0.00322 47 2S -0.08913 0.01373 -0.02120 -0.02437 0.00839 48 2PX 0.03540 -0.03146 -0.01152 0.03241 -0.00944 49 2PY 0.06759 0.02143 0.04807 0.00629 0.01046 50 2PZ -0.08963 0.07251 0.03328 -0.03092 -0.02940 51 3S -0.13468 0.02484 -0.01206 -0.02986 0.00468 52 3PX 0.00258 -0.02166 0.00067 0.00691 -0.00783 53 3PY 0.05256 0.01952 0.02862 0.00930 0.00632 54 3PZ -0.05651 0.03126 0.02423 -0.02963 -0.02040 55 4XX 0.00520 0.00493 -0.00303 0.00340 -0.00032 56 4YY 0.00233 0.00108 0.00265 0.00113 0.00061 57 4ZZ 0.00369 -0.00568 -0.00102 -0.00309 0.00039 58 4XY 0.00425 -0.00179 0.00214 0.00152 -0.00057 59 4XZ -0.00578 0.00025 0.00086 0.00111 0.00006 60 4YZ -0.00522 0.00470 -0.00169 0.00029 -0.00114 61 5 H 1S 0.13427 0.02269 -0.03640 -0.06121 -0.00934 62 2S 0.04263 -0.00484 -0.02193 -0.05495 -0.00724 63 6 H 1S -0.07012 -0.00642 -0.02493 -0.00022 0.00263 64 2S -0.06765 -0.00799 -0.02647 -0.00149 0.00349 65 7 H 1S -0.00400 -0.00738 0.00321 0.00178 -0.00398 66 2S -0.02480 -0.03243 0.01792 -0.02142 -0.00782 67 8 O 1S -0.02204 0.00010 -0.00839 -0.00190 0.00001 68 2S 0.04462 -0.00142 0.01356 0.00723 0.00037 69 2PX -0.03900 -0.06130 -0.00425 -0.00347 -0.00316 70 2PY 0.12848 0.02257 0.07207 -0.02405 0.00010 71 2PZ -0.01853 -0.06051 0.04181 -0.03842 -0.00257 72 3S 0.08733 0.00886 0.03795 -0.00346 -0.00165 73 3PX -0.03135 -0.05161 0.00043 -0.01115 -0.00260 74 3PY 0.08186 0.00997 0.05021 -0.01958 0.00019 75 3PZ -0.02233 -0.05505 0.03132 -0.03403 -0.00153 76 4XX 0.00069 0.00177 -0.00133 0.00260 -0.00003 77 4YY -0.00732 -0.00045 -0.00374 0.00171 0.00023 78 4ZZ -0.00196 -0.00144 -0.00125 -0.00161 0.00020 79 4XY 0.00006 0.00314 -0.00169 0.00009 0.00042 80 4XZ -0.00026 0.00114 0.00043 -0.00069 0.00002 81 4YZ -0.00025 -0.00006 -0.00031 0.00022 -0.00011 82 9 H 1S 0.03113 -0.01289 -0.01181 0.00640 0.00094 83 2S 0.02963 -0.01984 -0.00734 0.00350 0.00366 84 10 C 1S 0.00323 0.00175 0.00071 0.00133 -0.00011 85 2S -0.01717 -0.00019 -0.00700 -0.00757 0.00030 86 2PX 0.02582 0.07629 -0.03392 0.04357 0.00113 87 2PY 0.00651 0.02019 -0.00773 0.00501 0.00025 88 2PZ 0.04043 0.03053 -0.00101 0.03447 0.00034 89 3S -0.01583 -0.01134 -0.00543 -0.00497 -0.00046 90 3PX 0.02582 0.06199 -0.02751 0.04224 0.00154 91 3PY 0.00756 0.02273 -0.00859 0.01208 0.00065 92 3PZ 0.02020 0.03712 -0.01206 0.02569 0.00092 93 4XX 0.00058 0.00019 -0.00002 0.00055 0.00000 94 4YY 0.00130 -0.00030 0.00056 0.00012 0.00004 95 4ZZ -0.00033 0.00036 -0.00039 0.00040 0.00008 96 4XY -0.00078 -0.00031 -0.00069 -0.00021 0.00016 97 4XZ 0.00070 0.00039 0.00027 0.00058 -0.00003 98 4YZ 0.00103 -0.00091 0.00071 0.00087 0.00005 99 11 C 1S -0.00273 0.00469 -0.00257 0.00230 -0.00010 100 2S -0.01790 -0.01285 -0.00144 -0.01589 0.00008 101 2PX 0.00114 0.00853 -0.01041 0.00856 0.00067 102 2PY 0.04084 0.00807 0.01209 0.00736 -0.00035 103 2PZ -0.00819 0.02081 -0.01393 -0.00722 0.00020 104 3S -0.00974 0.00119 -0.00634 -0.00801 0.00043 105 3PX 0.00298 0.01711 -0.01234 0.01411 0.00098 106 3PY 0.00289 -0.00775 0.00361 -0.00453 -0.00086 107 3PZ -0.00038 0.00678 -0.00139 -0.00698 -0.00015 108 4XX 0.00013 0.00033 0.00014 0.00142 -0.00003 109 4YY 0.00170 -0.00053 0.00098 -0.00051 -0.00004 110 4ZZ 0.00004 0.00198 -0.00133 0.00116 0.00004 111 4XY 0.00048 0.00048 0.00017 0.00049 -0.00002 112 4XZ 0.00209 0.00506 -0.00188 0.00352 0.00011 113 4YZ 0.00116 0.00053 0.00013 0.00100 0.00003 114 12 C 1S 0.00591 0.00658 -0.00087 0.00574 -0.00012 115 2S -0.00784 -0.01730 0.00302 -0.00704 0.00019 116 2PX 0.01472 0.01932 0.00355 0.00955 -0.00068 117 2PY 0.00701 0.00217 0.00163 0.00872 -0.00028 118 2PZ -0.01729 -0.01182 0.00358 -0.00538 -0.00014 119 3S -0.02351 -0.04974 0.01821 -0.03324 -0.00132 120 3PX 0.00234 0.00344 0.00167 0.00066 -0.00064 121 3PY 0.00615 -0.00336 0.00512 0.00081 -0.00024 122 3PZ -0.01200 -0.01093 0.00281 -0.00581 -0.00021 123 4XX 0.00063 0.00100 0.00021 0.00097 -0.00006 124 4YY -0.00002 -0.00067 0.00047 -0.00066 0.00003 125 4ZZ -0.00020 0.00017 -0.00081 -0.00019 -0.00002 126 4XY -0.00068 0.00054 0.00060 -0.00011 0.00007 127 4XZ 0.00133 0.00122 -0.00003 0.00086 -0.00001 128 4YZ -0.00091 -0.00033 0.00057 -0.00004 -0.00002 129 13 C 1S 0.00752 0.00620 -0.00413 0.00045 -0.00102 130 2S -0.01862 -0.00786 0.00703 -0.00999 0.00157 131 2PX 0.03651 0.01115 -0.02235 0.01893 -0.00369 132 2PY 0.00836 -0.00189 -0.00382 -0.00286 -0.00007 133 2PZ 0.02679 0.00121 -0.01032 -0.00721 -0.00053 134 3S -0.03284 -0.01695 0.01115 -0.01682 0.00053 135 3PX 0.01725 -0.00040 -0.00820 0.00773 -0.00120 136 3PY 0.01615 0.01069 -0.00503 0.00600 0.00009 137 3PZ 0.01052 0.00266 -0.00539 -0.00719 -0.00164 138 4XX 0.00463 0.00474 -0.00286 0.00364 0.00008 139 4YY -0.00125 -0.00209 0.00033 -0.00131 -0.00006 140 4ZZ -0.00270 -0.00276 0.00257 -0.00178 -0.00011 141 4XY -0.00136 -0.00007 0.00068 -0.00051 0.00012 142 4XZ 0.00062 0.00061 -0.00055 0.00031 -0.00013 143 4YZ -0.00098 0.00028 0.00030 0.00062 0.00010 144 14 C 1S 0.01627 0.00364 0.00002 0.00155 -0.00145 145 2S -0.00058 -0.00783 0.00570 0.00702 0.00260 146 2PX -0.03825 -0.05824 0.03774 -0.05985 -0.00450 147 2PY 0.03810 0.02308 0.00624 0.01613 0.00217 148 2PZ 0.00095 -0.04996 0.02707 -0.01994 -0.00488 149 3S 0.01385 -0.00397 0.00071 0.01978 0.00639 150 3PX -0.01594 -0.04196 0.02789 -0.03871 -0.00377 151 3PY 0.01742 0.00784 -0.00033 0.01251 0.00275 152 3PZ -0.01386 -0.03718 0.02219 -0.02313 -0.00391 153 4XX 0.00247 0.00353 -0.00196 0.00187 -0.00016 154 4YY -0.00286 -0.00204 -0.00003 -0.00072 0.00001 155 4ZZ 0.00019 0.00070 0.00085 -0.00039 -0.00010 156 4XY -0.00121 -0.00115 0.00008 -0.00128 0.00002 157 4XZ 0.00361 0.00414 -0.00154 0.00210 -0.00029 158 4YZ -0.00034 -0.00204 0.00065 -0.00043 -0.00009 159 15 C 1S 0.00628 0.00386 -0.00121 0.00700 -0.00017 160 2S 0.00377 -0.01646 0.01053 -0.00537 0.00025 161 2PX 0.02070 0.02051 0.00788 0.00982 -0.00359 162 2PY -0.00929 -0.00477 -0.00272 -0.00210 0.00040 163 2PZ -0.00712 0.03439 -0.01736 -0.00169 -0.00053 164 3S 0.00523 0.01597 0.00057 0.00405 -0.00201 165 3PX 0.02069 0.02878 -0.00180 0.01374 -0.00155 166 3PY -0.00411 0.00352 -0.00221 0.00167 0.00031 167 3PZ 0.01026 0.01177 -0.00331 0.00582 0.00088 168 4XX 0.00014 0.00002 -0.00001 -0.00049 -0.00008 169 4YY -0.00167 -0.00135 -0.00028 -0.00116 0.00002 170 4ZZ 0.00223 0.00275 -0.00112 0.00202 0.00034 171 4XY 0.00139 0.00429 -0.00220 0.00254 0.00016 172 4XZ 0.00138 0.00247 -0.00125 0.00261 0.00009 173 4YZ 0.00157 -0.00007 0.00037 0.00142 -0.00004 174 16 H 1S 0.00819 -0.00087 0.00425 0.00481 0.00001 175 2S 0.01022 -0.00998 0.00992 0.00221 -0.00018 176 17 H 1S 0.01882 -0.00227 0.00882 -0.00334 -0.00027 177 2S 0.02528 0.00329 0.00984 0.00171 0.00021 178 18 H 1S 0.00694 0.00100 -0.00437 0.00150 0.00022 179 2S 0.00816 0.01119 -0.01101 0.00609 0.00037 180 19 H 1S -0.03048 -0.00988 0.01592 -0.00562 0.00064 181 2S -0.02129 -0.00873 0.01603 -0.00795 -0.00125 182 20 H 1S -0.02333 -0.01586 -0.00394 -0.00445 0.00013 183 2S -0.02506 -0.01979 -0.00221 -0.00895 -0.00085 184 21 H 1S -0.00487 0.01027 -0.00725 -0.00468 0.00094 185 2S -0.00908 0.01681 -0.01081 -0.00448 0.00039 186 22 H 1S 0.00309 0.00534 0.00559 0.00481 -0.00021 187 2S 0.00911 0.02229 0.00152 0.01616 0.00068 188 23 H 1S 0.02483 0.01504 -0.01742 0.01523 -0.00108 189 2S 0.03965 0.03713 -0.02693 0.03099 -0.00018 11 12 13 14 15 11 4YY 0.00122 12 4ZZ -0.00036 0.00177 13 4XY -0.00008 -0.00055 0.00157 14 4XZ 0.00086 -0.00049 -0.00038 0.00159 15 4YZ 0.00003 0.00000 -0.00056 0.00008 0.00181 16 2 C 1S -0.00652 0.00376 -0.00011 -0.00126 0.00093 17 2S 0.01196 -0.00871 0.00072 0.00299 -0.00176 18 2PX -0.00050 -0.00354 0.01305 -0.00134 0.00411 19 2PY -0.00768 0.01074 0.00508 -0.00510 -0.00039 20 2PZ 0.00132 -0.00492 0.00442 -0.00098 0.01358 21 3S 0.01095 -0.00908 0.00647 0.00359 -0.00473 22 3PX 0.00199 -0.00425 0.00819 0.00003 0.00509 23 3PY -0.00317 0.00188 0.00235 -0.00294 0.00302 24 3PZ -0.00132 -0.00196 0.00436 -0.00229 0.00620 25 4XX -0.00030 0.00019 -0.00013 -0.00006 0.00048 26 4YY -0.00012 -0.00031 0.00009 -0.00025 -0.00008 27 4ZZ -0.00030 0.00079 0.00000 -0.00011 -0.00019 28 4XY -0.00009 0.00000 0.00003 -0.00031 -0.00058 29 4XZ -0.00025 -0.00011 0.00031 0.00001 -0.00019 30 4YZ 0.00008 0.00019 -0.00058 0.00019 0.00061 31 3 C 1S 0.00096 -0.00057 0.00137 -0.00004 -0.00181 32 2S -0.00239 0.00111 -0.00301 -0.00068 0.00437 33 2PX -0.00375 0.00264 -0.00532 -0.00384 0.00547 34 2PY 0.00283 -0.00156 0.00802 -0.00057 -0.00723 35 2PZ 0.00195 -0.00165 0.00252 0.00166 -0.00160 36 3S -0.00173 0.00098 -0.00263 0.00112 0.00502 37 3PX -0.00157 0.00328 -0.00344 -0.00084 0.00130 38 3PY -0.00093 0.00015 0.00335 -0.00257 -0.00314 39 3PZ 0.00071 0.00177 0.00021 -0.00038 -0.00124 40 4XX -0.00031 0.00078 -0.00045 -0.00076 -0.00012 41 4YY 0.00017 -0.00013 0.00018 0.00039 0.00003 42 4ZZ 0.00013 -0.00067 0.00033 0.00018 -0.00020 43 4XY 0.00068 -0.00053 0.00051 0.00063 -0.00023 44 4XZ 0.00015 0.00079 -0.00003 0.00020 -0.00020 45 4YZ -0.00032 -0.00065 0.00033 -0.00006 0.00012 46 4 O 1S 0.00182 -0.00090 -0.00470 0.00505 0.00413 47 2S -0.00409 0.00235 0.01079 -0.01161 -0.00922 48 2PX -0.00918 0.01398 0.00449 -0.02005 -0.01220 49 2PY -0.01653 0.00638 -0.01261 -0.01476 0.00926 50 2PZ 0.00565 0.02477 -0.01651 0.00339 0.00084 51 3S -0.00024 0.00267 0.01469 -0.00972 -0.01448 52 3PX -0.00558 0.01124 -0.00028 -0.01187 -0.00699 53 3PY -0.01096 0.00436 -0.00710 -0.01042 0.00564 54 3PZ 0.00316 0.01746 -0.01091 0.00064 -0.00083 55 4XX -0.00004 0.00019 0.00022 -0.00006 0.00013 56 4YY -0.00085 0.00032 -0.00094 -0.00074 0.00074 57 4ZZ 0.00003 -0.00048 0.00014 0.00023 0.00017 58 4XY -0.00024 0.00030 0.00006 -0.00079 -0.00053 59 4XZ 0.00022 -0.00002 -0.00024 0.00065 0.00001 60 4YZ 0.00030 0.00107 -0.00033 0.00029 0.00010 61 5 H 1S -0.00167 0.00676 -0.00634 -0.00355 0.01345 62 2S -0.00147 0.00845 -0.00604 -0.00266 0.01024 63 6 H 1S 0.00051 0.00228 0.00243 -0.00114 -0.00701 64 2S -0.00295 0.00487 0.00041 -0.00217 -0.00665 65 7 H 1S -0.00002 0.00291 -0.00086 -0.00022 -0.00136 66 2S 0.00013 0.00705 -0.00259 -0.00116 -0.00382 67 8 O 1S -0.00112 -0.00027 0.00006 -0.00024 -0.00031 68 2S 0.00166 0.00067 0.00010 0.00049 0.00054 69 2PX 0.00309 0.00289 -0.00582 0.00024 0.00542 70 2PY -0.00537 0.00049 0.00300 -0.00140 -0.00364 71 2PZ -0.00238 0.00310 0.00420 -0.00091 -0.00347 72 3S 0.00285 -0.00035 0.00067 0.00291 0.00097 73 3PX 0.00146 0.00278 -0.00413 0.00006 0.00252 74 3PY -0.00403 0.00066 0.00134 -0.00124 -0.00270 75 3PZ -0.00135 0.00229 0.00166 -0.00036 -0.00313 76 4XX 0.00007 -0.00004 0.00054 -0.00008 0.00008 77 4YY 0.00005 -0.00002 -0.00036 -0.00014 0.00034 78 4ZZ -0.00008 0.00005 -0.00011 0.00004 -0.00041 79 4XY -0.00039 0.00016 0.00033 -0.00011 -0.00019 80 4XZ -0.00029 0.00022 0.00000 -0.00009 0.00008 81 4YZ 0.00036 -0.00031 -0.00040 0.00015 0.00004 82 9 H 1S 0.00056 -0.00334 0.00174 0.00117 0.00005 83 2S 0.00073 -0.00572 0.00256 0.00167 -0.00088 84 10 C 1S -0.00013 -0.00033 0.00019 -0.00001 0.00005 85 2S 0.00012 0.00043 -0.00064 0.00032 -0.00062 86 2PX 0.00060 -0.00323 0.00062 -0.00079 -0.00010 87 2PY -0.00051 -0.00056 0.00022 0.00004 0.00000 88 2PZ 0.00067 -0.00212 0.00096 -0.00078 0.00077 89 3S 0.00001 0.00080 0.00111 -0.00195 0.00064 90 3PX 0.00039 -0.00298 0.00146 -0.00054 0.00051 91 3PY -0.00041 -0.00042 -0.00024 0.00065 -0.00063 92 3PZ 0.00063 -0.00198 0.00013 0.00062 0.00050 93 4XX 0.00001 -0.00004 -0.00005 0.00002 -0.00004 94 4YY 0.00000 -0.00003 -0.00008 0.00006 -0.00008 95 4ZZ 0.00000 -0.00006 0.00023 -0.00007 0.00020 96 4XY -0.00008 0.00002 -0.00031 0.00031 -0.00030 97 4XZ 0.00003 -0.00005 0.00019 -0.00005 0.00021 98 4YZ -0.00004 0.00001 -0.00002 0.00011 -0.00004 99 11 C 1S 0.00014 -0.00016 -0.00029 0.00012 -0.00042 100 2S -0.00011 0.00093 0.00009 -0.00031 0.00030 101 2PX -0.00040 0.00007 -0.00546 0.00234 -0.00522 102 2PY 0.00009 -0.00083 -0.00217 0.00092 -0.00158 103 2PZ -0.00049 -0.00005 -0.00308 0.00171 -0.00311 104 3S 0.00088 -0.00051 -0.00001 0.00077 0.00202 105 3PX -0.00024 -0.00054 -0.00373 0.00234 -0.00404 106 3PY -0.00030 0.00100 -0.00080 -0.00078 -0.00121 107 3PZ -0.00009 -0.00011 -0.00275 0.00178 -0.00259 108 4XX 0.00002 0.00000 0.00022 -0.00009 0.00017 109 4YY -0.00001 0.00001 -0.00012 0.00006 -0.00007 110 4ZZ -0.00003 -0.00004 0.00002 -0.00003 -0.00005 111 4XY 0.00003 -0.00007 0.00009 0.00008 0.00009 112 4XZ 0.00004 -0.00023 0.00026 -0.00006 0.00011 113 4YZ 0.00003 -0.00008 0.00010 -0.00001 0.00008 114 12 C 1S 0.00005 -0.00043 0.00017 0.00013 0.00020 115 2S 0.00008 0.00076 -0.00072 -0.00013 -0.00039 116 2PX 0.00046 -0.00081 0.00117 0.00000 0.00086 117 2PY -0.00026 -0.00015 -0.00033 0.00030 0.00029 118 2PZ 0.00027 0.00080 0.00008 0.00001 -0.00017 119 3S -0.00051 0.00260 -0.00093 -0.00191 -0.00113 120 3PX 0.00060 -0.00021 0.00002 0.00029 0.00053 121 3PY -0.00012 0.00006 -0.00104 0.00101 -0.00020 122 3PZ -0.00002 0.00076 0.00008 -0.00045 -0.00033 123 4XX 0.00007 -0.00007 0.00035 -0.00009 0.00034 124 4YY -0.00001 0.00001 -0.00013 0.00005 -0.00013 125 4ZZ -0.00003 0.00003 -0.00023 0.00006 -0.00018 126 4XY -0.00001 -0.00004 0.00004 0.00000 -0.00001 127 4XZ 0.00003 -0.00007 0.00002 0.00002 0.00001 128 4YZ 0.00003 0.00001 -0.00005 0.00000 -0.00007 129 13 C 1S 0.00005 -0.00016 0.00019 0.00002 0.00076 130 2S -0.00062 -0.00010 -0.00037 -0.00007 -0.00131 131 2PX 0.00094 0.00063 0.00065 -0.00012 0.00182 132 2PY 0.00025 0.00044 -0.00021 0.00013 -0.00009 133 2PZ -0.00026 0.00031 -0.00053 0.00085 0.00048 134 3S 0.00010 0.00097 -0.00252 0.00241 -0.00406 135 3PX -0.00021 0.00054 0.00016 -0.00067 0.00018 136 3PY 0.00016 -0.00022 -0.00030 0.00049 0.00080 137 3PZ -0.00010 0.00151 -0.00096 -0.00008 0.00020 138 4XX -0.00005 -0.00012 -0.00002 0.00026 0.00012 139 4YY 0.00005 0.00008 -0.00005 -0.00009 -0.00007 140 4ZZ 0.00000 0.00012 0.00006 -0.00026 -0.00005 141 4XY -0.00001 -0.00004 -0.00003 0.00001 -0.00007 142 4XZ 0.00004 0.00001 0.00005 -0.00010 0.00011 143 4YZ -0.00003 -0.00002 0.00003 0.00002 -0.00001 144 14 C 1S -0.00025 -0.00002 0.00060 -0.00108 0.00072 145 2S -0.00060 -0.00077 -0.00158 0.00262 -0.00176 146 2PX 0.00146 0.00198 0.00189 -0.00601 0.00142 147 2PY -0.00225 -0.00006 0.00082 0.00200 0.00062 148 2PZ 0.00099 0.00252 0.00154 -0.00294 0.00120 149 3S -0.00161 -0.00389 0.00038 0.00235 -0.00168 150 3PX 0.00109 0.00145 0.00156 -0.00458 0.00232 151 3PY -0.00074 -0.00224 0.00189 0.00115 0.00026 152 3PZ 0.00119 0.00186 0.00098 -0.00211 -0.00021 153 4XX -0.00007 0.00014 0.00005 -0.00007 0.00008 154 4YY 0.00015 -0.00003 -0.00011 0.00007 -0.00014 155 4ZZ 0.00002 0.00004 0.00014 -0.00016 0.00021 156 4XY 0.00001 0.00003 -0.00001 -0.00011 -0.00003 157 4XZ 0.00009 -0.00001 0.00024 -0.00027 0.00044 158 4YZ 0.00000 0.00010 -0.00002 -0.00001 -0.00005 159 15 C 1S -0.00029 -0.00095 0.00007 -0.00034 -0.00007 160 2S -0.00008 0.00042 0.00026 0.00041 0.00025 161 2PX 0.00185 -0.00117 0.00515 -0.00639 0.00503 162 2PY 0.00028 0.00018 -0.00109 0.00051 -0.00085 163 2PZ 0.00138 -0.00156 0.00182 -0.00303 0.00227 164 3S -0.00025 0.00264 -0.00148 -0.00013 0.00005 165 3PX 0.00116 -0.00164 0.00406 -0.00435 0.00457 166 3PY -0.00011 0.00033 -0.00142 0.00108 -0.00177 167 3PZ 0.00057 -0.00229 0.00286 -0.00204 0.00225 168 4XX 0.00000 0.00003 0.00001 -0.00014 0.00004 169 4YY 0.00008 -0.00005 -0.00003 -0.00004 0.00001 170 4ZZ -0.00010 -0.00020 0.00001 0.00024 0.00005 171 4XY -0.00001 -0.00016 -0.00002 0.00009 -0.00005 172 4XZ -0.00003 -0.00007 -0.00001 0.00012 -0.00003 173 4YZ 0.00002 -0.00003 -0.00002 -0.00001 -0.00003 174 16 H 1S 0.00001 -0.00010 0.00040 -0.00019 0.00037 175 2S -0.00014 0.00003 0.00092 -0.00060 0.00057 176 17 H 1S 0.00011 -0.00015 -0.00109 0.00041 -0.00054 177 2S 0.00003 -0.00073 -0.00139 0.00109 -0.00106 178 18 H 1S -0.00037 -0.00001 -0.00092 0.00021 -0.00054 179 2S -0.00044 -0.00021 -0.00096 0.00034 -0.00087 180 19 H 1S -0.00016 0.00013 0.00028 -0.00112 -0.00061 181 2S 0.00008 0.00120 0.00041 -0.00224 0.00075 182 20 H 1S 0.00115 -0.00051 -0.00129 0.00029 -0.00132 183 2S 0.00170 -0.00047 -0.00010 -0.00036 -0.00092 184 21 H 1S -0.00008 -0.00042 -0.00001 0.00034 0.00014 185 2S -0.00004 0.00006 -0.00063 0.00061 -0.00044 186 22 H 1S 0.00033 -0.00032 0.00129 -0.00034 0.00108 187 2S 0.00028 -0.00144 0.00305 -0.00062 0.00220 188 23 H 1S 0.00009 -0.00012 0.00011 0.00077 0.00087 189 2S 0.00024 -0.00138 0.00081 0.00156 0.00221 16 17 18 19 20 16 2 C 1S 2.05261 17 2S -0.06334 0.33257 18 2PX -0.01176 0.01998 0.35371 19 2PY 0.00634 -0.01501 0.03630 0.42805 20 2PZ 0.01404 -0.02170 0.01906 -0.02885 0.37249 21 3S -0.17198 0.27273 0.08760 0.01081 -0.02659 22 3PX -0.02120 0.04292 0.18177 0.03494 0.08695 23 3PY 0.00657 -0.00325 0.04956 0.11867 0.01996 24 3PZ 0.00675 -0.02185 0.07209 0.00936 0.15203 25 4XX -0.01239 -0.01159 -0.01053 0.00768 0.01099 26 4YY -0.01714 -0.00125 0.00616 -0.01253 -0.00529 27 4ZZ -0.01510 -0.00556 0.00141 0.01278 -0.00454 28 4XY -0.00069 0.00120 0.00172 -0.00375 -0.01206 29 4XZ 0.00382 -0.00899 0.00965 -0.01029 -0.00675 30 4YZ 0.00389 -0.00798 -0.01323 -0.00743 0.00864 31 3 C 1S -0.00314 0.00638 -0.01152 -0.00990 0.00088 32 2S 0.00673 -0.01754 0.03150 0.03286 0.00092 33 2PX 0.01268 -0.03068 0.02354 0.02100 -0.02323 34 2PY 0.00315 -0.00785 0.03052 -0.02359 -0.03727 35 2PZ -0.00739 0.01915 -0.02701 -0.00822 -0.00102 36 3S 0.01015 -0.01295 0.04935 0.04941 -0.00081 37 3PX 0.01056 -0.01965 -0.00272 0.01598 -0.03444 38 3PY 0.00295 -0.00741 0.03169 -0.00309 -0.02777 39 3PZ -0.00561 0.00942 -0.01389 -0.00428 -0.00634 40 4XX -0.00080 0.00210 -0.00733 0.00190 0.00471 41 4YY 0.00216 -0.00472 0.00926 -0.00494 -0.00647 42 4ZZ -0.00173 0.00371 -0.00745 0.00112 0.00216 43 4XY -0.00068 0.00166 -0.00086 -0.00201 0.00227 44 4XZ 0.00080 -0.00197 0.00588 0.00055 -0.00268 45 4YZ 0.00033 -0.00056 0.00624 0.00076 0.00037 46 4 O 1S -0.00167 0.00506 -0.00606 -0.00188 0.00720 47 2S 0.00707 -0.01595 0.01455 0.01745 -0.01527 48 2PX 0.00948 -0.02371 -0.05406 0.04110 -0.03138 49 2PY 0.02371 -0.05641 0.02195 0.05732 -0.01759 50 2PZ 0.00044 -0.00377 -0.05069 -0.04292 -0.05475 51 3S -0.00449 -0.00280 0.04409 -0.02609 -0.04176 52 3PX 0.00713 -0.01771 -0.04782 0.02586 -0.03641 53 3PY 0.01439 -0.03755 0.02403 0.04145 -0.00843 54 3PZ 0.00260 -0.00728 -0.05534 -0.03221 -0.04924 55 4XX 0.00035 -0.00011 0.00296 0.00359 0.00422 56 4YY 0.00145 -0.00240 0.00041 0.00269 0.00110 57 4ZZ 0.00100 -0.00105 -0.00402 0.00273 -0.00165 58 4XY -0.00095 0.00216 -0.00302 -0.00611 -0.00029 59 4XZ 0.00014 -0.00039 0.00122 0.00119 -0.00038 60 4YZ 0.00075 -0.00153 0.00079 0.00423 0.00014 61 5 H 1S 0.01685 -0.03778 -0.01256 0.04264 -0.00218 62 2S 0.02111 -0.04292 -0.02474 0.07153 0.00608 63 6 H 1S -0.06712 0.13219 0.07497 0.16958 -0.18396 64 2S -0.01673 0.03913 0.03835 0.14225 -0.16120 65 7 H 1S -0.00128 0.00252 -0.00527 0.00494 0.00591 66 2S 0.00094 -0.00187 -0.03559 -0.00678 -0.02527 67 8 O 1S 0.00575 -0.00817 0.02660 -0.00953 -0.02436 68 2S -0.01014 0.01261 -0.06256 0.03255 0.05495 69 2PX -0.05526 0.11975 -0.16220 0.10593 0.18094 70 2PY 0.02649 -0.05513 0.08199 -0.03445 -0.07953 71 2PZ 0.03854 -0.07485 0.18836 -0.07733 -0.08635 72 3S 0.00859 -0.01458 -0.03694 -0.02900 0.05864 73 3PX -0.02442 0.05739 -0.09467 0.05562 0.08462 74 3PY 0.02158 -0.04411 0.05065 -0.03048 -0.06483 75 3PZ 0.01944 -0.03657 0.09280 -0.04357 -0.06403 76 4XX -0.00264 0.00397 0.00732 0.00643 0.00497 77 4YY -0.00114 0.00121 -0.00361 0.00068 0.00434 78 4ZZ -0.00133 0.00154 -0.00647 0.00547 -0.00851 79 4XY 0.00424 -0.00849 0.00830 0.00376 -0.00942 80 4XZ 0.00528 -0.00877 0.00426 -0.00366 -0.00104 81 4YZ -0.00346 0.00613 -0.01220 -0.00315 0.00307 82 9 H 1S -0.00640 0.01540 -0.02377 0.00702 0.01456 83 2S -0.00610 0.01493 -0.04141 -0.00542 0.01429 84 10 C 1S -0.00147 0.00106 0.00434 0.00049 0.00469 85 2S 0.00123 -0.00455 -0.01454 -0.00143 -0.01529 86 2PX -0.00411 0.01445 0.01847 0.00663 0.00157 87 2PY -0.00076 0.00061 0.00451 0.00325 0.00046 88 2PZ -0.00342 0.01439 0.02131 0.00218 0.01566 89 3S 0.00181 -0.00137 0.02214 0.01124 0.00471 90 3PX -0.00602 0.01485 0.02983 0.01357 0.01379 91 3PY -0.00355 0.00374 -0.00268 0.00680 -0.00870 92 3PZ -0.00327 0.01038 0.00666 0.00130 0.01235 93 4XX -0.00073 0.00068 -0.00075 0.00005 -0.00027 94 4YY -0.00019 -0.00014 -0.00203 -0.00055 -0.00171 95 4ZZ -0.00079 0.00054 0.00379 0.00138 0.00331 96 4XY 0.00064 -0.00110 -0.00483 -0.00092 -0.00453 97 4XZ -0.00042 0.00088 0.00371 0.00057 0.00410 98 4YZ 0.00008 -0.00014 -0.00084 -0.00005 -0.00075 99 11 C 1S -0.00178 0.00088 -0.00337 0.00036 -0.00708 100 2S 0.00203 -0.01175 0.00217 -0.00341 0.00896 101 2PX 0.01015 -0.01512 -0.09618 -0.02837 -0.08499 102 2PY 0.00432 -0.00318 -0.03273 -0.01781 -0.02216 103 2PZ 0.00361 -0.00713 -0.05345 -0.01151 -0.05581 104 3S 0.00643 -0.00116 -0.00328 -0.00310 0.03656 105 3PX -0.00004 -0.00216 -0.06339 -0.01665 -0.06052 106 3PY 0.00140 -0.00541 -0.00958 0.00035 -0.02168 107 3PZ 0.00539 -0.00889 -0.04567 -0.02344 -0.04286 108 4XX -0.00117 0.00203 0.00413 0.00259 0.00356 109 4YY 0.00008 -0.00132 -0.00200 -0.00199 -0.00090 110 4ZZ -0.00041 0.00005 0.00061 0.00069 -0.00119 111 4XY -0.00011 0.00072 0.00214 -0.00057 0.00182 112 4XZ -0.00101 0.00281 0.00601 0.00293 0.00182 113 4YZ -0.00033 0.00076 0.00200 -0.00008 0.00168 114 12 C 1S -0.00252 0.00480 0.00742 0.00329 0.00118 115 2S 0.00388 -0.00790 -0.02077 -0.00691 -0.00214 116 2PX -0.00833 0.01838 0.02875 0.01257 0.00752 117 2PY 0.00135 -0.00289 -0.00193 -0.00484 0.00437 118 2PZ -0.00374 0.00643 0.00451 0.00858 -0.00897 119 3S 0.01272 -0.02730 -0.02701 -0.02355 -0.01480 120 3PX -0.00698 0.01248 0.00066 0.00632 0.00749 121 3PY 0.00303 -0.00508 -0.01966 -0.00941 -0.00327 122 3PZ -0.00322 0.00394 0.00522 0.00968 -0.01192 123 4XX -0.00136 0.00219 0.00744 0.00215 0.00482 124 4YY 0.00003 -0.00022 -0.00283 -0.00071 -0.00169 125 4ZZ 0.00050 -0.00107 -0.00457 -0.00135 -0.00251 126 4XY -0.00038 0.00071 0.00066 0.00040 0.00003 127 4XZ -0.00042 0.00107 0.00081 0.00036 -0.00008 128 4YZ -0.00008 0.00035 -0.00036 -0.00022 -0.00084 129 13 C 1S -0.00111 0.00181 0.00869 0.00054 0.00636 130 2S 0.00217 -0.00414 -0.01776 -0.00136 -0.01399 131 2PX -0.00250 0.00432 0.02088 -0.00079 0.01474 132 2PY 0.00146 -0.00201 -0.00592 0.00077 -0.00442 133 2PZ 0.00247 -0.00326 -0.01050 0.00034 -0.01052 134 3S 0.00506 -0.00646 -0.06640 -0.01066 -0.04807 135 3PX -0.00016 -0.00019 0.00533 -0.00062 -0.00110 136 3PY 0.00059 0.00054 0.00025 0.00522 0.00526 137 3PZ 0.00228 -0.00320 -0.01257 0.00323 -0.01129 138 4XX -0.00015 0.00025 0.00239 0.00105 0.00074 139 4YY 0.00001 -0.00008 -0.00133 -0.00075 -0.00048 140 4ZZ -0.00016 0.00035 -0.00044 -0.00031 -0.00004 141 4XY 0.00002 0.00012 -0.00015 0.00039 -0.00053 142 4XZ -0.00023 0.00039 0.00156 -0.00014 0.00103 143 4YZ -0.00005 0.00009 0.00041 0.00071 0.00021 144 14 C 1S -0.00087 0.00284 0.00614 -0.00131 0.00598 145 2S 0.00340 -0.00361 -0.01795 0.00281 -0.01530 146 2PX -0.00345 0.00871 0.00239 -0.01762 0.01206 147 2PY 0.00462 -0.00685 -0.00664 0.01472 -0.00694 148 2PZ -0.00223 0.00600 0.00500 -0.00876 0.00835 149 3S -0.00191 -0.00263 0.00497 0.00301 -0.00919 150 3PX -0.00291 0.00729 0.01485 -0.01430 0.02574 151 3PY -0.00120 -0.00026 0.01266 -0.00281 0.00905 152 3PZ -0.00259 0.00498 -0.00067 -0.01855 -0.00178 153 4XX 0.00024 -0.00030 0.00127 0.00119 0.00139 154 4YY -0.00007 0.00036 -0.00064 -0.00103 -0.00063 155 4ZZ 0.00001 0.00038 0.00194 0.00083 0.00185 156 4XY 0.00027 -0.00025 -0.00123 0.00074 -0.00073 157 4XZ -0.00049 0.00107 0.00619 0.00141 0.00555 158 4YZ 0.00025 -0.00040 -0.00130 0.00016 -0.00105 159 15 C 1S -0.00081 0.00108 0.00283 -0.00030 0.00256 160 2S 0.00203 -0.00181 -0.00628 0.00018 -0.00486 161 2PX -0.00961 0.02494 0.07962 0.00869 0.07392 162 2PY 0.00215 -0.00412 -0.01586 -0.00475 -0.01329 163 2PZ -0.00592 0.01178 0.04182 0.00047 0.03685 164 3S 0.00054 0.00015 -0.01601 0.01387 -0.01086 165 3PX -0.00684 0.01759 0.06941 0.01267 0.06699 166 3PY 0.00000 -0.00211 -0.02337 -0.00347 -0.02406 167 3PZ -0.00510 0.00932 0.04610 0.00076 0.03744 168 4XX -0.00013 0.00020 0.00029 -0.00023 0.00057 169 4YY -0.00010 0.00011 -0.00035 -0.00051 -0.00016 170 4ZZ 0.00004 -0.00016 0.00074 0.00118 0.00058 171 4XY 0.00000 0.00028 0.00042 0.00071 -0.00046 172 4XZ -0.00007 0.00010 0.00113 0.00026 0.00087 173 4YZ 0.00005 0.00032 -0.00001 0.00007 -0.00003 174 16 H 1S -0.00021 0.00178 0.00449 0.00132 0.00415 175 2S -0.00032 0.00115 0.01194 0.00115 0.00745 176 17 H 1S 0.00351 -0.00613 -0.01582 -0.01298 -0.00548 177 2S 0.00299 -0.00426 -0.02176 -0.01746 -0.01240 178 18 H 1S 0.00527 -0.00989 -0.02034 -0.00879 -0.00529 179 2S 0.00154 -0.00350 -0.01468 -0.00001 -0.01675 180 19 H 1S -0.00089 0.00093 -0.00030 0.00055 0.00171 181 2S -0.00225 0.00354 0.01051 0.00519 0.00986 182 20 H 1S -0.00158 0.00237 -0.00430 -0.00874 -0.00434 183 2S -0.00290 0.00462 0.00196 -0.01591 0.00488 184 21 H 1S 0.00002 -0.00081 0.00140 0.00105 -0.00024 185 2S -0.00006 -0.00124 -0.00782 0.00046 -0.00694 186 22 H 1S -0.00569 0.01142 0.02669 0.00982 0.01420 187 2S -0.00774 0.01691 0.06151 0.01884 0.03321 188 23 H 1S -0.00017 -0.00011 0.00824 0.00090 0.00462 189 2S -0.00101 0.00165 0.02949 0.00627 0.02402 21 22 23 24 25 21 3S 0.29973 22 3PX 0.06708 0.12473 23 3PY -0.00400 0.03310 0.05430 24 3PZ 0.00052 0.06146 0.02263 0.08174 25 4XX -0.00903 -0.00247 0.00219 0.00351 0.00257 26 4YY -0.00021 -0.00008 -0.00157 -0.00049 -0.00066 27 4ZZ -0.00500 0.00044 0.00161 -0.00234 -0.00051 28 4XY 0.00208 -0.00129 -0.00261 -0.00470 -0.00076 29 4XZ -0.00357 0.00042 -0.00122 0.00012 -0.00029 30 4YZ -0.01236 -0.00582 -0.00152 0.00033 0.00050 31 3 C 1S 0.00659 -0.00869 -0.00707 -0.00110 -0.00090 32 2S -0.00918 0.01919 0.01699 0.00906 0.00265 33 2PX -0.04600 0.02153 0.00387 -0.00787 0.00613 34 2PY 0.01696 0.02818 -0.02953 -0.02186 0.00294 35 2PZ 0.03497 -0.02188 0.00445 -0.00484 -0.00296 36 3S 0.00519 0.02303 0.02300 0.01582 0.00059 37 3PX -0.02794 -0.00700 -0.00175 -0.01561 0.00036 38 3PY 0.00490 0.01051 0.00031 -0.00461 -0.00021 39 3PZ 0.00687 -0.01224 -0.00257 -0.00742 -0.00345 40 4XX -0.00284 -0.00316 -0.00097 0.00061 -0.00048 41 4YY -0.00306 0.00456 -0.00140 -0.00241 0.00034 42 4ZZ 0.00512 -0.00388 0.00126 0.00065 0.00021 43 4XY 0.00068 0.00386 -0.00347 -0.00208 0.00027 44 4XZ -0.00163 0.00126 -0.00087 -0.00070 -0.00104 45 4YZ -0.00114 0.00306 0.00150 0.00113 -0.00104 46 4 O 1S -0.02204 0.00010 0.00839 -0.00190 0.00001 47 2S 0.04462 -0.00142 -0.01356 0.00722 0.00037 48 2PX -0.03899 -0.06130 0.00425 -0.00347 -0.00316 49 2PY -0.12848 -0.02257 0.07207 0.02406 -0.00010 50 2PZ -0.01854 -0.06051 -0.04181 -0.03842 -0.00257 51 3S 0.08733 0.00886 -0.03795 -0.00346 -0.00165 52 3PX -0.03135 -0.05161 -0.00043 -0.01115 -0.00260 53 3PY -0.08186 -0.00997 0.05021 0.01958 -0.00019 54 3PZ -0.02233 -0.05505 -0.03131 -0.03403 -0.00153 55 4XX 0.00069 0.00177 0.00133 0.00260 -0.00003 56 4YY -0.00732 -0.00045 0.00374 0.00171 0.00023 57 4ZZ -0.00196 -0.00144 0.00125 -0.00161 0.00020 58 4XY -0.00006 -0.00314 -0.00169 -0.00009 -0.00042 59 4XZ -0.00026 0.00113 -0.00043 -0.00069 0.00002 60 4YZ 0.00025 0.00006 -0.00031 -0.00022 0.00011 61 5 H 1S -0.07011 -0.00642 0.02494 -0.00021 0.00263 62 2S -0.06765 -0.00799 0.02647 -0.00149 0.00349 63 6 H 1S 0.13427 0.02269 0.03640 -0.06120 -0.00934 64 2S 0.04263 -0.00484 0.02193 -0.05495 -0.00724 65 7 H 1S -0.00400 -0.00738 -0.00321 0.00178 -0.00398 66 2S -0.02480 -0.03243 -0.01792 -0.02142 -0.00782 67 8 O 1S 0.03492 -0.00475 -0.01020 0.00953 -0.00322 68 2S -0.08913 0.01373 0.02120 -0.02437 0.00839 69 2PX 0.03540 -0.03146 0.01152 0.03240 -0.00944 70 2PY -0.06758 -0.02144 0.04808 -0.00628 -0.01046 71 2PZ -0.08964 0.07251 -0.03327 -0.03092 -0.02940 72 3S -0.13468 0.02484 0.01206 -0.02986 0.00468 73 3PX 0.00258 -0.02166 -0.00067 0.00691 -0.00783 74 3PY -0.05256 -0.01952 0.02862 -0.00930 -0.00632 75 3PZ -0.05651 0.03125 -0.02423 -0.02964 -0.02040 76 4XX 0.00520 0.00493 0.00303 0.00340 -0.00032 77 4YY 0.00233 0.00108 -0.00265 0.00113 0.00061 78 4ZZ 0.00370 -0.00568 0.00102 -0.00309 0.00039 79 4XY -0.00425 0.00179 0.00214 -0.00152 0.00057 80 4XZ -0.00578 0.00025 -0.00086 0.00111 0.00006 81 4YZ 0.00522 -0.00470 -0.00169 -0.00029 0.00114 82 9 H 1S 0.03113 -0.01289 0.01181 0.00640 0.00094 83 2S 0.02963 -0.01984 0.00734 0.00350 0.00366 84 10 C 1S 0.00628 0.00386 0.00121 0.00700 -0.00017 85 2S 0.00377 -0.01646 -0.01053 -0.00538 0.00025 86 2PX 0.02069 0.02051 -0.00788 0.00983 -0.00359 87 2PY 0.00929 0.00476 -0.00273 0.00210 -0.00040 88 2PZ -0.00712 0.03438 0.01736 -0.00169 -0.00053 89 3S 0.00523 0.01598 -0.00057 0.00406 -0.00201 90 3PX 0.02069 0.02878 0.00180 0.01374 -0.00154 91 3PY 0.00411 -0.00352 -0.00221 -0.00167 -0.00031 92 3PZ 0.01026 0.01177 0.00331 0.00582 0.00088 93 4XX 0.00014 0.00002 0.00001 -0.00049 -0.00008 94 4YY -0.00167 -0.00135 0.00028 -0.00116 0.00002 95 4ZZ 0.00223 0.00275 0.00112 0.00202 0.00034 96 4XY -0.00139 -0.00429 -0.00220 -0.00254 -0.00016 97 4XZ 0.00138 0.00246 0.00125 0.00261 0.00009 98 4YZ -0.00157 0.00006 0.00037 -0.00142 0.00004 99 11 C 1S 0.01627 0.00364 -0.00002 0.00155 -0.00145 100 2S -0.00058 -0.00783 -0.00570 0.00701 0.00260 101 2PX -0.03824 -0.05824 -0.03774 -0.05986 -0.00450 102 2PY -0.03810 -0.02307 0.00624 -0.01613 -0.00217 103 2PZ 0.00094 -0.04996 -0.02708 -0.01994 -0.00488 104 3S 0.01385 -0.00397 -0.00072 0.01977 0.00638 105 3PX -0.01594 -0.04196 -0.02789 -0.03871 -0.00377 106 3PY -0.01741 -0.00784 -0.00033 -0.01251 -0.00275 107 3PZ -0.01387 -0.03718 -0.02219 -0.02313 -0.00391 108 4XX 0.00247 0.00353 0.00196 0.00187 -0.00016 109 4YY -0.00286 -0.00204 0.00003 -0.00072 0.00001 110 4ZZ 0.00019 0.00070 -0.00085 -0.00039 -0.00010 111 4XY 0.00121 0.00115 0.00007 0.00128 -0.00002 112 4XZ 0.00361 0.00414 0.00154 0.00210 -0.00029 113 4YZ 0.00034 0.00204 0.00065 0.00043 0.00009 114 12 C 1S 0.00752 0.00620 0.00413 0.00045 -0.00102 115 2S -0.01862 -0.00786 -0.00703 -0.00999 0.00157 116 2PX 0.03651 0.01115 0.02235 0.01893 -0.00369 117 2PY -0.00837 0.00189 -0.00382 0.00287 0.00007 118 2PZ 0.02679 0.00121 0.01032 -0.00720 -0.00053 119 3S -0.03284 -0.01694 -0.01115 -0.01681 0.00053 120 3PX 0.01725 -0.00040 0.00820 0.00773 -0.00120 121 3PY -0.01615 -0.01069 -0.00503 -0.00600 -0.00009 122 3PZ 0.01053 0.00266 0.00539 -0.00719 -0.00164 123 4XX 0.00463 0.00474 0.00286 0.00364 0.00008 124 4YY -0.00125 -0.00209 -0.00033 -0.00131 -0.00006 125 4ZZ -0.00270 -0.00276 -0.00257 -0.00178 -0.00011 126 4XY 0.00136 0.00007 0.00068 0.00051 -0.00012 127 4XZ 0.00062 0.00061 0.00055 0.00031 -0.00013 128 4YZ 0.00098 -0.00028 0.00030 -0.00062 -0.00010 129 13 C 1S 0.00590 0.00658 0.00087 0.00574 -0.00012 130 2S -0.00783 -0.01730 -0.00302 -0.00704 0.00019 131 2PX 0.01472 0.01932 -0.00355 0.00955 -0.00068 132 2PY -0.00700 -0.00217 0.00163 -0.00872 0.00028 133 2PZ -0.01729 -0.01183 -0.00358 -0.00538 -0.00014 134 3S -0.02351 -0.04974 -0.01821 -0.03325 -0.00132 135 3PX 0.00234 0.00345 -0.00167 0.00066 -0.00064 136 3PY -0.00615 0.00337 0.00512 -0.00081 0.00024 137 3PZ -0.01200 -0.01093 -0.00281 -0.00581 -0.00021 138 4XX 0.00063 0.00100 -0.00021 0.00097 -0.00006 139 4YY -0.00002 -0.00067 -0.00047 -0.00066 0.00003 140 4ZZ -0.00020 0.00017 0.00081 -0.00019 -0.00002 141 4XY 0.00068 -0.00054 0.00060 0.00011 -0.00007 142 4XZ 0.00133 0.00122 0.00003 0.00086 -0.00001 143 4YZ 0.00091 0.00033 0.00057 0.00004 0.00002 144 14 C 1S -0.00273 0.00469 0.00257 0.00230 -0.00010 145 2S -0.01790 -0.01285 0.00144 -0.01589 0.00008 146 2PX 0.00114 0.00853 0.01041 0.00856 0.00067 147 2PY -0.04084 -0.00807 0.01209 -0.00736 0.00035 148 2PZ -0.00820 0.02081 0.01393 -0.00722 0.00020 149 3S -0.00974 0.00119 0.00634 -0.00801 0.00043 150 3PX 0.00299 0.01712 0.01234 0.01411 0.00098 151 3PY -0.00289 0.00775 0.00362 0.00454 0.00086 152 3PZ -0.00038 0.00678 0.00139 -0.00698 -0.00015 153 4XX 0.00013 0.00033 -0.00014 0.00142 -0.00003 154 4YY 0.00170 -0.00053 -0.00098 -0.00051 -0.00004 155 4ZZ 0.00004 0.00198 0.00133 0.00116 0.00004 156 4XY -0.00048 -0.00048 0.00017 -0.00049 0.00002 157 4XZ 0.00209 0.00506 0.00188 0.00352 0.00011 158 4YZ -0.00116 -0.00053 0.00013 -0.00100 -0.00003 159 15 C 1S 0.00322 0.00175 -0.00071 0.00133 -0.00011 160 2S -0.01717 -0.00019 0.00701 -0.00757 0.00030 161 2PX 0.02583 0.07629 0.03392 0.04358 0.00113 162 2PY -0.00652 -0.02019 -0.00773 -0.00502 -0.00025 163 2PZ 0.04043 0.03053 0.00101 0.03447 0.00034 164 3S -0.01584 -0.01134 0.00543 -0.00497 -0.00046 165 3PX 0.02583 0.06199 0.02752 0.04225 0.00154 166 3PY -0.00757 -0.02274 -0.00859 -0.01209 -0.00065 167 3PZ 0.02020 0.03712 0.01206 0.02569 0.00092 168 4XX 0.00058 0.00019 0.00002 0.00055 0.00000 169 4YY 0.00130 -0.00030 -0.00056 0.00012 0.00004 170 4ZZ -0.00033 0.00036 0.00039 0.00040 0.00008 171 4XY 0.00078 0.00031 -0.00069 0.00021 -0.00016 172 4XZ 0.00070 0.00039 -0.00028 0.00058 -0.00003 173 4YZ -0.00103 0.00091 0.00071 -0.00087 -0.00005 174 16 H 1S -0.00487 0.01027 0.00725 -0.00468 0.00094 175 2S -0.00908 0.01681 0.01081 -0.00448 0.00039 176 17 H 1S -0.02333 -0.01586 0.00394 -0.00445 0.00013 177 2S -0.02506 -0.01979 0.00221 -0.00895 -0.00085 178 18 H 1S -0.03049 -0.00988 -0.01592 -0.00563 0.00064 179 2S -0.02130 -0.00873 -0.01604 -0.00796 -0.00125 180 19 H 1S 0.00695 0.00101 0.00437 0.00150 0.00022 181 2S 0.00816 0.01119 0.01101 0.00609 0.00037 182 20 H 1S 0.01883 -0.00227 -0.00882 -0.00334 -0.00027 183 2S 0.02529 0.00329 -0.00984 0.00171 0.00020 184 21 H 1S 0.00819 -0.00087 -0.00425 0.00481 0.00001 185 2S 0.01022 -0.00998 -0.00992 0.00221 -0.00018 186 22 H 1S 0.02483 0.01504 0.01742 0.01523 -0.00108 187 2S 0.03965 0.03712 0.02692 0.03099 -0.00018 188 23 H 1S 0.00309 0.00533 -0.00560 0.00481 -0.00021 189 2S 0.00910 0.02228 -0.00152 0.01616 0.00068 26 27 28 29 30 26 4YY 0.00122 27 4ZZ -0.00036 0.00177 28 4XY 0.00008 0.00055 0.00157 29 4XZ 0.00086 -0.00049 0.00038 0.00159 30 4YZ -0.00004 0.00000 -0.00056 -0.00008 0.00181 31 3 C 1S 0.00096 -0.00057 -0.00137 -0.00004 0.00181 32 2S -0.00239 0.00111 0.00301 -0.00068 -0.00437 33 2PX -0.00374 0.00264 0.00532 -0.00384 -0.00547 34 2PY -0.00283 0.00156 0.00802 0.00057 -0.00723 35 2PZ 0.00195 -0.00165 -0.00251 0.00166 0.00160 36 3S -0.00173 0.00098 0.00263 0.00112 -0.00502 37 3PX -0.00157 0.00328 0.00344 -0.00084 -0.00130 38 3PY 0.00093 -0.00015 0.00334 0.00257 -0.00314 39 3PZ 0.00071 0.00177 -0.00021 -0.00038 0.00124 40 4XX -0.00031 0.00078 0.00045 -0.00076 0.00012 41 4YY 0.00017 -0.00013 -0.00018 0.00039 -0.00003 42 4ZZ 0.00013 -0.00067 -0.00033 0.00018 0.00020 43 4XY -0.00068 0.00053 0.00051 -0.00063 -0.00023 44 4XZ 0.00015 0.00079 0.00003 0.00020 0.00020 45 4YZ 0.00032 0.00065 0.00033 0.00006 0.00012 46 4 O 1S -0.00112 -0.00027 -0.00006 -0.00024 0.00031 47 2S 0.00166 0.00067 -0.00010 0.00049 -0.00054 48 2PX 0.00309 0.00288 0.00582 0.00024 -0.00542 49 2PY 0.00537 -0.00049 0.00300 0.00140 -0.00364 50 2PZ -0.00238 0.00310 -0.00420 -0.00091 0.00347 51 3S 0.00285 -0.00035 -0.00067 0.00291 -0.00097 52 3PX 0.00146 0.00278 0.00413 0.00006 -0.00252 53 3PY 0.00403 -0.00066 0.00134 0.00124 -0.00270 54 3PZ -0.00135 0.00229 -0.00166 -0.00036 0.00313 55 4XX 0.00007 -0.00004 -0.00054 -0.00008 -0.00008 56 4YY 0.00005 -0.00002 0.00036 -0.00014 -0.00034 57 4ZZ -0.00008 0.00005 0.00011 0.00004 0.00041 58 4XY 0.00039 -0.00016 0.00033 0.00011 -0.00019 59 4XZ -0.00029 0.00022 0.00000 -0.00009 -0.00008 60 4YZ -0.00036 0.00031 -0.00040 -0.00015 0.00004 61 5 H 1S 0.00051 0.00228 -0.00243 -0.00114 0.00701 62 2S -0.00296 0.00487 -0.00041 -0.00217 0.00665 63 6 H 1S -0.00167 0.00675 0.00634 -0.00355 -0.01345 64 2S -0.00147 0.00844 0.00604 -0.00266 -0.01024 65 7 H 1S -0.00002 0.00291 0.00086 -0.00022 0.00136 66 2S 0.00013 0.00705 0.00259 -0.00116 0.00381 67 8 O 1S 0.00182 -0.00090 0.00470 0.00505 -0.00413 68 2S -0.00409 0.00235 -0.01079 -0.01161 0.00922 69 2PX -0.00918 0.01398 -0.00448 -0.02005 0.01220 70 2PY 0.01653 -0.00638 -0.01261 0.01476 0.00927 71 2PZ 0.00565 0.02477 0.01651 0.00340 -0.00084 72 3S -0.00025 0.00267 -0.01469 -0.00972 0.01448 73 3PX -0.00558 0.01124 0.00028 -0.01187 0.00699 74 3PY 0.01096 -0.00436 -0.00711 0.01042 0.00564 75 3PZ 0.00317 0.01746 0.01091 0.00064 0.00083 76 4XX -0.00004 0.00019 -0.00022 -0.00006 -0.00013 77 4YY -0.00085 0.00032 0.00094 -0.00074 -0.00074 78 4ZZ 0.00003 -0.00048 -0.00014 0.00023 -0.00017 79 4XY 0.00024 -0.00030 0.00006 0.00079 -0.00053 80 4XZ 0.00022 -0.00002 0.00024 0.00065 -0.00001 81 4YZ -0.00030 -0.00107 -0.00033 -0.00029 0.00010 82 9 H 1S 0.00056 -0.00334 -0.00174 0.00117 -0.00005 83 2S 0.00073 -0.00572 -0.00256 0.00167 0.00088 84 10 C 1S -0.00029 -0.00095 -0.00007 -0.00034 0.00007 85 2S -0.00008 0.00042 -0.00026 0.00041 -0.00025 86 2PX 0.00185 -0.00117 -0.00515 -0.00639 -0.00503 87 2PY -0.00028 -0.00018 -0.00109 -0.00051 -0.00085 88 2PZ 0.00138 -0.00156 -0.00182 -0.00303 -0.00227 89 3S -0.00025 0.00264 0.00148 -0.00013 -0.00005 90 3PX 0.00116 -0.00164 -0.00405 -0.00435 -0.00456 91 3PY 0.00011 -0.00033 -0.00142 -0.00108 -0.00177 92 3PZ 0.00057 -0.00229 -0.00286 -0.00204 -0.00225 93 4XX 0.00000 0.00003 -0.00001 -0.00014 -0.00004 94 4YY 0.00008 -0.00005 0.00003 -0.00004 -0.00001 95 4ZZ -0.00010 -0.00020 -0.00001 0.00024 -0.00005 96 4XY 0.00001 0.00016 -0.00002 -0.00009 -0.00005 97 4XZ -0.00003 -0.00007 0.00001 0.00012 0.00003 98 4YZ -0.00002 0.00003 -0.00002 0.00001 -0.00003 99 11 C 1S -0.00025 -0.00002 -0.00060 -0.00108 -0.00072 100 2S -0.00060 -0.00077 0.00158 0.00262 0.00176 101 2PX 0.00146 0.00198 -0.00189 -0.00601 -0.00142 102 2PY 0.00225 0.00006 0.00082 -0.00199 0.00062 103 2PZ 0.00099 0.00252 -0.00154 -0.00294 -0.00120 104 3S -0.00161 -0.00388 -0.00038 0.00235 0.00168 105 3PX 0.00109 0.00145 -0.00156 -0.00458 -0.00232 106 3PY 0.00074 0.00224 0.00189 -0.00115 0.00026 107 3PZ 0.00119 0.00186 -0.00098 -0.00211 0.00021 108 4XX -0.00007 0.00014 -0.00005 -0.00007 -0.00008 109 4YY 0.00015 -0.00003 0.00011 0.00007 0.00014 110 4ZZ 0.00002 0.00004 -0.00014 -0.00016 -0.00021 111 4XY -0.00001 -0.00003 -0.00001 0.00011 -0.00003 112 4XZ 0.00009 -0.00001 -0.00024 -0.00027 -0.00044 113 4YZ 0.00000 -0.00010 -0.00002 0.00001 -0.00005 114 12 C 1S 0.00005 -0.00016 -0.00019 0.00002 -0.00076 115 2S -0.00062 -0.00009 0.00037 -0.00007 0.00131 116 2PX 0.00094 0.00063 -0.00065 -0.00012 -0.00182 117 2PY -0.00025 -0.00044 -0.00021 -0.00013 -0.00009 118 2PZ -0.00026 0.00031 0.00053 0.00085 -0.00048 119 3S 0.00010 0.00097 0.00252 0.00241 0.00406 120 3PX -0.00021 0.00054 -0.00016 -0.00067 -0.00018 121 3PY -0.00016 0.00021 -0.00030 -0.00049 0.00080 122 3PZ -0.00010 0.00151 0.00096 -0.00008 -0.00020 123 4XX -0.00005 -0.00012 0.00002 0.00026 -0.00012 124 4YY 0.00005 0.00008 0.00005 -0.00009 0.00007 125 4ZZ 0.00000 0.00012 -0.00006 -0.00026 0.00005 126 4XY 0.00001 0.00004 -0.00003 -0.00001 -0.00007 127 4XZ 0.00004 0.00001 -0.00005 -0.00010 -0.00011 128 4YZ 0.00003 0.00002 0.00003 -0.00002 -0.00001 129 13 C 1S 0.00005 -0.00043 -0.00017 0.00013 -0.00020 130 2S 0.00008 0.00076 0.00072 -0.00013 0.00039 131 2PX 0.00046 -0.00081 -0.00117 0.00000 -0.00086 132 2PY 0.00026 0.00015 -0.00033 -0.00030 0.00029 133 2PZ 0.00027 0.00080 -0.00008 0.00001 0.00017 134 3S -0.00051 0.00260 0.00093 -0.00191 0.00113 135 3PX 0.00060 -0.00021 -0.00002 0.00029 -0.00053 136 3PY 0.00012 -0.00006 -0.00104 -0.00101 -0.00020 137 3PZ -0.00002 0.00076 -0.00008 -0.00045 0.00033 138 4XX 0.00007 -0.00007 -0.00035 -0.00009 -0.00034 139 4YY -0.00001 0.00001 0.00013 0.00005 0.00013 140 4ZZ -0.00003 0.00003 0.00023 0.00006 0.00018 141 4XY 0.00001 0.00004 0.00004 0.00000 -0.00001 142 4XZ 0.00003 -0.00007 -0.00002 0.00002 -0.00002 143 4YZ -0.00003 -0.00001 -0.00005 0.00000 -0.00007 144 14 C 1S 0.00014 -0.00016 0.00029 0.00012 0.00043 145 2S -0.00011 0.00093 -0.00009 -0.00031 -0.00030 146 2PX -0.00040 0.00007 0.00546 0.00234 0.00522 147 2PY -0.00008 0.00083 -0.00217 -0.00092 -0.00158 148 2PZ -0.00049 -0.00005 0.00308 0.00171 0.00311 149 3S 0.00088 -0.00051 0.00001 0.00077 -0.00202 150 3PX -0.00024 -0.00054 0.00373 0.00234 0.00404 151 3PY 0.00030 -0.00100 -0.00080 0.00078 -0.00121 152 3PZ -0.00009 -0.00011 0.00275 0.00178 0.00259 153 4XX 0.00002 0.00000 -0.00022 -0.00009 -0.00017 154 4YY -0.00001 0.00001 0.00012 0.00006 0.00007 155 4ZZ -0.00003 -0.00004 -0.00002 -0.00003 0.00005 156 4XY -0.00003 0.00007 0.00009 -0.00008 0.00009 157 4XZ 0.00004 -0.00023 -0.00026 -0.00006 -0.00011 158 4YZ -0.00003 0.00008 0.00010 0.00001 0.00008 159 15 C 1S -0.00013 -0.00033 -0.00019 -0.00001 -0.00005 160 2S 0.00012 0.00043 0.00064 0.00032 0.00062 161 2PX 0.00060 -0.00323 -0.00062 -0.00079 0.00010 162 2PY 0.00051 0.00056 0.00022 -0.00004 0.00000 163 2PZ 0.00067 -0.00212 -0.00096 -0.00078 -0.00077 164 3S 0.00001 0.00080 -0.00111 -0.00195 -0.00064 165 3PX 0.00039 -0.00298 -0.00146 -0.00054 -0.00051 166 3PY 0.00041 0.00042 -0.00024 -0.00065 -0.00063 167 3PZ 0.00063 -0.00198 -0.00013 0.00062 -0.00050 168 4XX 0.00001 -0.00004 0.00005 0.00002 0.00004 169 4YY 0.00000 -0.00003 0.00008 0.00006 0.00008 170 4ZZ 0.00000 -0.00006 -0.00023 -0.00007 -0.00020 171 4XY 0.00008 -0.00002 -0.00031 -0.00031 -0.00030 172 4XZ 0.00003 -0.00005 -0.00019 -0.00005 -0.00021 173 4YZ 0.00004 -0.00001 -0.00002 -0.00011 -0.00004 174 16 H 1S -0.00008 -0.00042 0.00001 0.00034 -0.00014 175 2S -0.00004 0.00006 0.00063 0.00061 0.00044 176 17 H 1S 0.00115 -0.00051 0.00129 0.00029 0.00132 177 2S 0.00170 -0.00047 0.00010 -0.00036 0.00092 178 18 H 1S -0.00016 0.00013 -0.00028 -0.00112 0.00061 179 2S 0.00008 0.00120 -0.00041 -0.00224 -0.00075 180 19 H 1S -0.00037 -0.00001 0.00092 0.00021 0.00054 181 2S -0.00044 -0.00021 0.00096 0.00034 0.00087 182 20 H 1S 0.00011 -0.00015 0.00109 0.00042 0.00054 183 2S 0.00003 -0.00073 0.00139 0.00109 0.00106 184 21 H 1S 0.00001 -0.00010 -0.00040 -0.00019 -0.00037 185 2S -0.00014 0.00003 -0.00092 -0.00060 -0.00057 186 22 H 1S 0.00009 -0.00012 -0.00011 0.00077 -0.00087 187 2S 0.00024 -0.00138 -0.00081 0.00156 -0.00221 188 23 H 1S 0.00033 -0.00032 -0.00128 -0.00034 -0.00108 189 2S 0.00028 -0.00144 -0.00305 -0.00062 -0.00220 31 32 33 34 35 31 3 C 1S 2.04988 32 2S -0.06565 0.34507 33 2PX 0.01935 -0.03141 0.38992 34 2PY 0.00000 0.00000 0.00000 0.29478 35 2PZ -0.00691 0.01463 0.02504 -0.00001 0.46072 36 3S -0.14934 0.26010 -0.06913 0.00000 0.01022 37 3PX 0.01725 -0.03492 0.12989 0.00000 -0.00345 38 3PY 0.00000 0.00000 0.00000 0.07132 0.00000 39 3PZ -0.00162 0.00465 0.00310 0.00000 0.16103 40 4XX -0.01697 -0.00181 -0.00430 0.00000 -0.01505 41 4YY -0.01319 -0.01006 0.02120 0.00000 -0.00792 42 4ZZ -0.01826 0.00097 -0.01465 0.00000 0.02223 43 4XY 0.00000 0.00000 0.00000 0.02764 0.00000 44 4XZ -0.00017 -0.00018 -0.01750 0.00000 -0.01529 45 4YZ 0.00000 0.00000 0.00000 -0.01018 0.00000 46 4 O 1S 0.00368 -0.00203 -0.02027 0.02801 0.00807 47 2S -0.00672 0.00297 0.04948 -0.06705 -0.01881 48 2PX 0.03470 -0.07271 -0.09688 0.17472 0.03595 49 2PY -0.05992 0.13211 0.18918 -0.22060 -0.06963 50 2PZ -0.01056 0.01808 0.03500 -0.06339 -0.01037 51 3S 0.01957 -0.05250 0.03486 -0.03409 -0.01699 52 3PX 0.01125 -0.02666 -0.05639 0.07987 0.00577 53 3PY -0.03577 0.07755 0.11135 -0.13354 -0.03805 54 3PZ -0.00085 -0.00022 0.00520 -0.02262 -0.02126 55 4XX -0.00075 0.00110 -0.00914 0.00066 -0.00076 56 4YY -0.00707 0.01324 0.01503 -0.01035 -0.00494 57 4ZZ 0.00146 -0.00268 -0.00327 0.00276 0.00639 58 4XY 0.00478 -0.00902 -0.00117 0.00632 0.00327 59 4XZ 0.00072 -0.00063 0.00111 -0.00043 -0.00699 60 4YZ -0.00109 0.00218 0.00149 0.00046 0.00678 61 5 H 1S -0.00639 0.01742 0.02347 -0.02367 -0.00882 62 2S -0.00664 0.01862 0.03204 -0.02340 -0.02334 63 6 H 1S -0.00639 0.01742 0.02347 0.02368 -0.00882 64 2S -0.00664 0.01862 0.03204 0.02340 -0.02333 65 7 H 1S -0.05869 0.11885 -0.21464 0.00000 -0.17358 66 2S -0.00827 0.02349 -0.17719 0.00000 -0.16449 67 8 O 1S 0.00368 -0.00203 -0.02027 -0.02801 0.00807 68 2S -0.00672 0.00297 0.04948 0.06706 -0.01880 69 2PX 0.03470 -0.07271 -0.09687 -0.17472 0.03593 70 2PY 0.05992 -0.13212 -0.18918 -0.22063 0.06962 71 2PZ -0.01055 0.01807 0.03499 0.06337 -0.01036 72 3S 0.01957 -0.05251 0.03486 0.03409 -0.01699 73 3PX 0.01125 -0.02666 -0.05639 -0.07987 0.00576 74 3PY 0.03577 -0.07755 -0.11134 -0.13355 0.03804 75 3PZ -0.00085 -0.00023 0.00519 0.02261 -0.02126 76 4XX -0.00075 0.00110 -0.00914 -0.00066 -0.00076 77 4YY -0.00707 0.01324 0.01503 0.01036 -0.00494 78 4ZZ 0.00146 -0.00268 -0.00327 -0.00276 0.00639 79 4XY -0.00478 0.00902 0.00117 0.00632 -0.00327 80 4XZ 0.00072 -0.00063 0.00111 0.00043 -0.00699 81 4YZ 0.00109 -0.00218 -0.00149 0.00046 -0.00679 82 9 H 1S -0.06049 0.12724 -0.04996 -0.00001 0.27569 83 2S -0.01310 0.03867 -0.02097 -0.00001 0.22749 84 10 C 1S -0.00021 0.00045 0.00019 0.00002 0.00044 85 2S 0.00037 -0.00093 0.00090 0.00104 0.00038 86 2PX -0.00255 0.01070 0.00184 -0.01261 0.00407 87 2PY -0.00074 0.00231 0.00183 -0.00063 -0.00065 88 2PZ -0.00130 0.00345 -0.00043 -0.00513 -0.00103 89 3S 0.00095 0.00127 0.00188 0.00091 -0.00741 90 3PX -0.00300 0.01040 0.00523 -0.00692 0.00286 91 3PY -0.00022 0.00173 0.00230 -0.00236 -0.00161 92 3PZ -0.00183 0.00465 0.00312 -0.00256 0.00213 93 4XX -0.00009 0.00005 0.00001 -0.00017 0.00037 94 4YY 0.00002 -0.00008 0.00020 0.00003 0.00024 95 4ZZ -0.00012 0.00036 0.00074 0.00072 -0.00003 96 4XY 0.00007 -0.00038 -0.00013 -0.00085 -0.00004 97 4XZ -0.00017 0.00037 0.00031 0.00048 -0.00002 98 4YZ 0.00003 -0.00012 0.00002 -0.00029 -0.00005 99 11 C 1S 0.00027 -0.00037 -0.00136 -0.00231 -0.00019 100 2S 0.00024 -0.00033 0.00248 0.00450 0.00111 101 2PX 0.00298 -0.00788 -0.01145 -0.02133 0.00274 102 2PY 0.00030 -0.00138 -0.00154 -0.00325 0.00073 103 2PZ 0.00114 -0.00187 -0.00334 -0.00770 0.00114 104 3S -0.00368 0.00582 0.01153 0.01392 0.00543 105 3PX 0.00193 -0.00377 -0.00373 -0.01392 0.00371 106 3PY 0.00126 -0.00123 -0.00220 0.00029 -0.00570 107 3PZ 0.00180 -0.00621 -0.01195 -0.01122 0.00117 108 4XX 0.00012 -0.00003 -0.00057 -0.00046 -0.00027 109 4YY 0.00016 -0.00029 0.00007 0.00011 0.00020 110 4ZZ 0.00000 0.00021 0.00019 -0.00036 0.00013 111 4XY -0.00009 0.00009 0.00001 0.00032 -0.00026 112 4XZ -0.00028 0.00103 0.00039 -0.00031 -0.00035 113 4YZ -0.00002 0.00011 0.00014 0.00006 -0.00013 114 12 C 1S -0.00054 0.00146 0.00150 0.00098 -0.00051 115 2S 0.00085 -0.00316 -0.00258 -0.00132 0.00143 116 2PX -0.00145 0.00494 0.00379 0.00601 -0.00241 117 2PY 0.00079 -0.00162 -0.00212 -0.00249 0.00040 118 2PZ 0.00008 -0.00042 0.00053 0.00263 -0.00198 119 3S 0.00408 -0.01164 -0.01698 -0.00750 0.00015 120 3PX -0.00122 0.00217 0.00153 0.00584 -0.00061 121 3PY 0.00091 -0.00357 -0.00550 -0.00294 0.00067 122 3PZ 0.00031 -0.00058 -0.00192 0.00001 -0.00484 123 4XX -0.00031 0.00073 0.00097 0.00137 -0.00043 124 4YY 0.00000 -0.00023 -0.00021 -0.00013 0.00010 125 4ZZ 0.00011 -0.00036 -0.00065 -0.00087 0.00016 126 4XY 0.00001 0.00000 0.00000 0.00032 -0.00004 127 4XZ -0.00012 0.00023 0.00023 0.00014 -0.00011 128 4YZ 0.00000 -0.00009 -0.00020 0.00001 -0.00009 129 13 C 1S -0.00054 0.00146 0.00150 -0.00098 -0.00051 130 2S 0.00085 -0.00316 -0.00258 0.00132 0.00143 131 2PX -0.00145 0.00494 0.00379 -0.00601 -0.00241 132 2PY -0.00079 0.00162 0.00213 -0.00249 -0.00040 133 2PZ 0.00008 -0.00042 0.00053 -0.00262 -0.00198 134 3S 0.00408 -0.01164 -0.01698 0.00750 0.00015 135 3PX -0.00122 0.00217 0.00153 -0.00584 -0.00061 136 3PY -0.00091 0.00357 0.00550 -0.00294 -0.00067 137 3PZ 0.00031 -0.00058 -0.00192 -0.00001 -0.00484 138 4XX -0.00031 0.00073 0.00097 -0.00137 -0.00043 139 4YY 0.00000 -0.00023 -0.00021 0.00013 0.00010 140 4ZZ 0.00011 -0.00036 -0.00065 0.00087 0.00016 141 4XY -0.00001 0.00000 0.00000 0.00032 0.00004 142 4XZ -0.00012 0.00023 0.00023 -0.00014 -0.00011 143 4YZ 0.00000 0.00009 0.00020 0.00001 0.00009 144 14 C 1S 0.00027 -0.00037 -0.00136 0.00231 -0.00019 145 2S 0.00024 -0.00033 0.00248 -0.00450 0.00111 146 2PX 0.00298 -0.00788 -0.01145 0.02133 0.00274 147 2PY -0.00030 0.00138 0.00154 -0.00326 -0.00073 148 2PZ 0.00114 -0.00187 -0.00334 0.00770 0.00114 149 3S -0.00368 0.00582 0.01153 -0.01392 0.00543 150 3PX 0.00193 -0.00377 -0.00373 0.01392 0.00371 151 3PY -0.00126 0.00123 0.00221 0.00028 0.00570 152 3PZ 0.00180 -0.00621 -0.01195 0.01122 0.00117 153 4XX 0.00012 -0.00003 -0.00057 0.00046 -0.00027 154 4YY 0.00016 -0.00029 0.00007 -0.00011 0.00020 155 4ZZ 0.00000 0.00021 0.00019 0.00036 0.00013 156 4XY 0.00009 -0.00009 -0.00001 0.00032 0.00026 157 4XZ -0.00028 0.00103 0.00039 0.00031 -0.00035 158 4YZ 0.00002 -0.00011 -0.00014 0.00006 0.00013 159 15 C 1S -0.00021 0.00045 0.00019 -0.00002 0.00044 160 2S 0.00037 -0.00093 0.00090 -0.00104 0.00038 161 2PX -0.00255 0.01070 0.00184 0.01261 0.00407 162 2PY 0.00074 -0.00231 -0.00183 -0.00063 0.00065 163 2PZ -0.00130 0.00345 -0.00043 0.00513 -0.00103 164 3S 0.00095 0.00127 0.00187 -0.00091 -0.00742 165 3PX -0.00300 0.01040 0.00523 0.00692 0.00286 166 3PY 0.00022 -0.00173 -0.00230 -0.00236 0.00161 167 3PZ -0.00183 0.00465 0.00312 0.00256 0.00213 168 4XX -0.00009 0.00005 0.00001 0.00017 0.00037 169 4YY 0.00002 -0.00008 0.00020 -0.00003 0.00024 170 4ZZ -0.00012 0.00036 0.00074 -0.00072 -0.00003 171 4XY -0.00007 0.00038 0.00013 -0.00085 0.00004 172 4XZ -0.00017 0.00037 0.00031 -0.00048 -0.00002 173 4YZ -0.00003 0.00012 -0.00002 -0.00028 0.00005 174 16 H 1S -0.00011 -0.00046 0.00046 0.00124 -0.00164 175 2S 0.00008 -0.00106 -0.00132 0.00019 0.00139 176 17 H 1S 0.00010 -0.00066 0.00114 0.00164 0.00106 177 2S 0.00086 -0.00313 -0.00343 -0.00631 0.00331 178 18 H 1S 0.00065 -0.00191 -0.00270 -0.00507 0.00138 179 2S 0.00001 0.00066 -0.00041 -0.00585 -0.00251 180 19 H 1S 0.00065 -0.00191 -0.00270 0.00507 0.00138 181 2S 0.00001 0.00066 -0.00041 0.00585 -0.00251 182 20 H 1S 0.00010 -0.00066 0.00114 -0.00163 0.00106 183 2S 0.00086 -0.00313 -0.00343 0.00631 0.00331 184 21 H 1S -0.00011 -0.00046 0.00046 -0.00124 -0.00164 185 2S 0.00008 -0.00106 -0.00132 -0.00019 0.00139 186 22 H 1S -0.00085 0.00272 0.00322 0.00622 -0.00156 187 2S -0.00217 0.00712 0.00980 0.00907 -0.00118 188 23 H 1S -0.00085 0.00272 0.00322 -0.00622 -0.00156 189 2S -0.00217 0.00712 0.00980 -0.00907 -0.00118 36 37 38 39 40 36 3S 0.23162 37 3PX -0.03445 0.05548 38 3PY 0.00000 0.00000 0.02777 39 3PZ -0.00045 0.00132 0.00000 0.06559 40 4XX -0.00001 0.00078 0.00000 -0.00236 0.00243 41 4YY -0.01252 0.00632 0.00000 -0.00359 -0.00114 42 4ZZ 0.00474 -0.00611 0.00000 0.00601 -0.00063 43 4XY 0.00000 0.00000 0.00411 0.00000 0.00000 44 4XZ 0.00242 -0.00337 0.00000 -0.00255 0.00114 45 4YZ 0.00000 0.00000 -0.00225 0.00000 0.00000 46 4 O 1S 0.02965 0.00241 0.00259 -0.00277 0.00099 47 2S -0.07504 -0.00617 -0.00242 0.00520 -0.00186 48 2PX -0.04357 -0.01034 0.07793 0.04616 0.02081 49 2PY 0.09851 0.06250 -0.01594 -0.02574 0.00948 50 2PZ 0.00492 0.04482 -0.01981 0.04519 0.01054 51 3S -0.13434 -0.01247 0.00765 0.01192 -0.00485 52 3PX -0.01208 -0.00013 0.04104 0.02741 0.01459 53 3PY 0.05908 0.03572 -0.00585 -0.01361 0.00613 54 3PZ -0.00684 0.02735 -0.00585 0.02750 0.00906 55 4XX 0.00253 -0.00327 -0.00023 0.00008 0.00018 56 4YY 0.00995 0.00460 -0.00088 -0.00198 0.00064 57 4ZZ -0.00061 -0.00084 0.00006 0.00090 -0.00056 58 4XY -0.00667 0.00074 0.00320 0.00251 0.00093 59 4XZ 0.00039 0.00116 -0.00090 -0.00266 0.00004 60 4YZ 0.00166 0.00140 -0.00068 0.00418 -0.00001 61 5 H 1S 0.02692 0.01896 -0.01605 0.00207 0.00020 62 2S 0.02466 0.02622 -0.01285 0.00066 0.00292 63 6 H 1S 0.02692 0.01896 0.01605 0.00208 0.00020 64 2S 0.02466 0.02622 0.01285 0.00066 0.00292 65 7 H 1S 0.11411 -0.06668 0.00000 -0.04680 0.01188 66 2S 0.03153 -0.03658 0.00000 -0.02964 0.01581 67 8 O 1S 0.02965 0.00241 -0.00259 -0.00277 0.00099 68 2S -0.07504 -0.00617 0.00242 0.00520 -0.00186 69 2PX -0.04357 -0.01034 -0.07794 0.04615 0.02081 70 2PY -0.09851 -0.06250 -0.01595 0.02574 -0.00948 71 2PZ 0.00491 0.04481 0.01980 0.04519 0.01054 72 3S -0.13434 -0.01247 -0.00765 0.01192 -0.00485 73 3PX -0.01208 -0.00013 -0.04105 0.02741 0.01459 74 3PY -0.05908 -0.03572 -0.00586 0.01361 -0.00613 75 3PZ -0.00684 0.02734 0.00585 0.02750 0.00906 76 4XX 0.00253 -0.00327 0.00023 0.00008 0.00018 77 4YY 0.00996 0.00460 0.00088 -0.00198 0.00064 78 4ZZ -0.00061 -0.00084 -0.00006 0.00090 -0.00056 79 4XY 0.00667 -0.00074 0.00320 -0.00251 -0.00093 80 4XZ 0.00039 0.00116 0.00090 -0.00266 0.00004 81 4YZ -0.00166 -0.00140 -0.00067 -0.00418 0.00001 82 9 H 1S 0.10522 -0.03673 0.00000 0.08871 -0.01009 83 2S 0.03140 -0.02456 0.00000 0.06330 -0.01137 84 10 C 1S 0.00163 0.00074 -0.00013 0.00020 -0.00009 85 2S -0.00175 -0.00010 0.00005 -0.00051 -0.00044 86 2PX 0.00664 -0.02492 -0.01587 0.00433 -0.00044 87 2PY 0.00142 -0.00074 -0.00147 -0.00234 -0.00025 88 2PZ 0.00527 -0.00664 -0.00357 -0.00296 -0.00041 89 3S 0.00125 0.00035 0.00330 0.00190 0.00161 90 3PX 0.00937 -0.01783 -0.00998 -0.00053 -0.00123 91 3PY 0.00196 -0.00139 -0.00365 -0.00216 -0.00034 92 3PZ 0.00541 -0.00728 -0.00533 -0.00403 -0.00156 93 4XX 0.00004 0.00007 -0.00030 0.00023 0.00007 94 4YY -0.00007 -0.00005 -0.00019 -0.00008 -0.00006 95 4ZZ 0.00060 0.00013 0.00076 -0.00071 -0.00019 96 4XY -0.00040 0.00075 -0.00114 0.00007 0.00006 97 4XZ 0.00059 -0.00011 0.00051 -0.00021 -0.00005 98 4YZ -0.00008 0.00037 -0.00010 -0.00012 -0.00002 99 11 C 1S -0.00011 -0.00091 -0.00177 0.00031 0.00038 100 2S -0.00143 0.00222 0.00297 -0.00114 -0.00037 101 2PX -0.01460 -0.00299 -0.02402 0.01039 0.00278 102 2PY -0.00082 -0.00133 -0.00634 0.00087 0.00051 103 2PZ -0.00542 -0.00394 -0.01165 0.00566 0.00110 104 3S 0.00443 0.00017 0.00332 -0.00744 -0.00272 105 3PX -0.00691 -0.00163 -0.01832 0.00652 0.00166 106 3PY -0.00086 0.00249 -0.00133 0.00362 0.00214 107 3PZ -0.00892 -0.00283 -0.01093 0.00588 0.00123 108 4XX 0.00036 -0.00001 0.00026 0.00012 0.00011 109 4YY -0.00018 0.00014 -0.00009 0.00009 0.00000 110 4ZZ 0.00015 -0.00032 -0.00034 0.00010 -0.00001 111 4XY 0.00023 0.00005 0.00020 -0.00030 -0.00007 112 4XZ 0.00132 -0.00112 -0.00033 -0.00019 -0.00008 113 4YZ 0.00028 0.00004 0.00009 -0.00027 -0.00004 114 12 C 1S 0.00214 -0.00085 0.00014 -0.00081 -0.00030 115 2S -0.00368 0.00243 -0.00061 0.00134 0.00069 116 2PX 0.00726 -0.00254 0.00593 -0.00148 -0.00092 117 2PY -0.00447 -0.00088 -0.00186 0.00002 -0.00011 118 2PZ -0.00090 0.00502 0.00317 0.00104 0.00026 119 3S -0.01289 0.00459 0.00562 0.00581 0.00219 120 3PX 0.00265 -0.00042 0.00172 0.00013 0.00009 121 3PY -0.00542 0.00044 -0.00378 0.00114 0.00032 122 3PZ -0.00071 0.00326 0.00148 0.00192 0.00111 123 4XX 0.00106 0.00011 0.00128 -0.00064 -0.00020 124 4YY -0.00024 0.00020 -0.00032 0.00019 0.00009 125 4ZZ -0.00076 -0.00032 -0.00110 0.00051 0.00017 126 4XY -0.00002 -0.00003 0.00037 0.00001 0.00000 127 4XZ 0.00033 -0.00014 0.00001 -0.00010 -0.00003 128 4YZ -0.00014 -0.00003 0.00000 0.00010 0.00004 129 13 C 1S 0.00214 -0.00085 -0.00014 -0.00081 -0.00030 130 2S -0.00368 0.00243 0.00061 0.00134 0.00069 131 2PX 0.00726 -0.00254 -0.00593 -0.00148 -0.00092 132 2PY 0.00447 0.00088 -0.00186 -0.00003 0.00011 133 2PZ -0.00090 0.00502 -0.00317 0.00104 0.00026 134 3S -0.01289 0.00459 -0.00562 0.00581 0.00219 135 3PX 0.00265 -0.00042 -0.00172 0.00012 0.00008 136 3PY 0.00542 -0.00044 -0.00377 -0.00114 -0.00032 137 3PZ -0.00071 0.00325 -0.00148 0.00192 0.00111 138 4XX 0.00106 0.00011 -0.00128 -0.00064 -0.00020 139 4YY -0.00024 0.00020 0.00032 0.00019 0.00009 140 4ZZ -0.00076 -0.00032 0.00110 0.00051 0.00017 141 4XY 0.00002 0.00003 0.00037 -0.00001 0.00000 142 4XZ 0.00033 -0.00014 -0.00001 -0.00010 -0.00003 143 4YZ 0.00014 0.00003 0.00000 -0.00010 -0.00004 144 14 C 1S -0.00011 -0.00091 0.00177 0.00031 0.00038 145 2S -0.00143 0.00222 -0.00297 -0.00114 -0.00037 146 2PX -0.01460 -0.00299 0.02402 0.01039 0.00278 147 2PY 0.00083 0.00133 -0.00634 -0.00087 -0.00051 148 2PZ -0.00542 -0.00394 0.01165 0.00566 0.00110 149 3S 0.00443 0.00017 -0.00332 -0.00744 -0.00272 150 3PX -0.00691 -0.00163 0.01832 0.00652 0.00166 151 3PY 0.00086 -0.00249 -0.00133 -0.00363 -0.00215 152 3PZ -0.00892 -0.00283 0.01093 0.00588 0.00123 153 4XX 0.00036 -0.00001 -0.00026 0.00012 0.00011 154 4YY -0.00018 0.00014 0.00009 0.00009 0.00000 155 4ZZ 0.00015 -0.00032 0.00034 0.00010 -0.00001 156 4XY -0.00023 -0.00005 0.00020 0.00030 0.00007 157 4XZ 0.00132 -0.00112 0.00033 -0.00019 -0.00008 158 4YZ -0.00028 -0.00004 0.00009 0.00027 0.00004 159 15 C 1S 0.00163 0.00074 0.00013 0.00020 -0.00009 160 2S -0.00175 -0.00010 -0.00005 -0.00051 -0.00044 161 2PX 0.00664 -0.02492 0.01587 0.00434 -0.00044 162 2PY -0.00142 0.00074 -0.00147 0.00234 0.00025 163 2PZ 0.00527 -0.00664 0.00357 -0.00295 -0.00041 164 3S 0.00125 0.00035 -0.00330 0.00190 0.00161 165 3PX 0.00937 -0.01783 0.00998 -0.00053 -0.00123 166 3PY -0.00196 0.00139 -0.00365 0.00216 0.00034 167 3PZ 0.00541 -0.00728 0.00533 -0.00403 -0.00156 168 4XX 0.00004 0.00007 0.00030 0.00023 0.00007 169 4YY -0.00007 -0.00005 0.00019 -0.00008 -0.00006 170 4ZZ 0.00060 0.00013 -0.00076 -0.00071 -0.00019 171 4XY 0.00040 -0.00075 -0.00114 -0.00007 -0.00006 172 4XZ 0.00059 -0.00012 -0.00051 -0.00021 -0.00005 173 4YZ 0.00008 -0.00037 -0.00010 0.00013 0.00002 174 16 H 1S 0.00059 0.00267 0.00270 -0.00340 -0.00036 175 2S -0.00065 0.00264 0.00379 -0.00048 -0.00001 176 17 H 1S -0.00023 0.00044 -0.00108 -0.00048 -0.00008 177 2S -0.00302 -0.00209 -0.00436 0.00069 -0.00033 178 18 H 1S -0.00318 -0.00186 -0.00537 0.00104 0.00052 179 2S -0.00051 -0.00212 -0.00796 0.00150 0.00096 180 19 H 1S -0.00317 -0.00186 0.00537 0.00104 0.00052 181 2S -0.00051 -0.00212 0.00796 0.00150 0.00096 182 20 H 1S -0.00023 0.00044 0.00108 -0.00048 -0.00008 183 2S -0.00302 -0.00209 0.00436 0.00069 -0.00033 184 21 H 1S 0.00059 0.00267 -0.00270 -0.00340 -0.00036 185 2S -0.00065 0.00264 -0.00379 -0.00048 -0.00001 186 22 H 1S 0.00386 -0.00003 0.00695 -0.00187 -0.00081 187 2S 0.00946 -0.00267 0.01008 -0.00586 -0.00244 188 23 H 1S 0.00386 -0.00003 -0.00695 -0.00187 -0.00081 189 2S 0.00946 -0.00267 -0.01008 -0.00586 -0.00244 41 42 43 44 45 41 4YY 0.00355 42 4ZZ -0.00161 0.00259 43 4XY 0.00000 0.00000 0.00351 44 4XZ -0.00048 -0.00084 0.00000 0.00234 45 4YZ 0.00000 0.00000 -0.00055 0.00000 0.00183 46 4 O 1S -0.00619 0.00363 0.00596 0.00064 -0.00161 47 2S 0.01488 -0.00782 -0.01406 -0.00192 0.00409 48 2PX -0.02163 0.00450 0.00416 0.00781 -0.01289 49 2PY -0.00439 -0.00733 -0.02790 -0.00848 0.00887 50 2PZ 0.00454 -0.01650 -0.01233 0.01795 -0.02081 51 3S 0.02277 -0.01118 -0.01300 0.00159 0.00067 52 3PX -0.01356 0.00074 -0.00047 0.00694 -0.00860 53 3PY -0.00340 -0.00409 -0.01782 -0.00506 0.00511 54 3PZ 0.00146 -0.01070 -0.00718 0.01304 -0.01492 55 4XX -0.00055 0.00024 0.00004 0.00057 -0.00022 56 4YY -0.00033 -0.00056 -0.00123 -0.00071 0.00036 57 4ZZ -0.00034 0.00092 0.00065 -0.00050 0.00038 58 4XY -0.00083 0.00020 0.00007 0.00009 -0.00046 59 4XZ 0.00034 -0.00049 0.00026 0.00035 0.00001 60 4YZ 0.00022 -0.00038 -0.00008 0.00059 -0.00096 61 5 H 1S -0.00001 -0.00167 -0.00039 0.00197 -0.00185 62 2S -0.00055 -0.00352 -0.00063 0.00320 -0.00224 63 6 H 1S -0.00001 -0.00167 0.00039 0.00196 0.00185 64 2S -0.00055 -0.00352 0.00063 0.00320 0.00224 65 7 H 1S -0.01320 -0.00198 0.00000 0.01732 0.00000 66 2S -0.01024 -0.00599 0.00000 0.01984 0.00000 67 8 O 1S -0.00619 0.00363 -0.00596 0.00064 0.00161 68 2S 0.01488 -0.00782 0.01406 -0.00192 -0.00409 69 2PX -0.02163 0.00450 -0.00416 0.00781 0.01289 70 2PY 0.00439 0.00733 -0.02791 0.00848 0.00887 71 2PZ 0.00454 -0.01650 0.01232 0.01795 0.02082 72 3S 0.02277 -0.01118 0.01300 0.00159 -0.00066 73 3PX -0.01356 0.00074 0.00047 0.00694 0.00860 74 3PY 0.00339 0.00409 -0.01783 0.00506 0.00511 75 3PZ 0.00146 -0.01070 0.00717 0.01304 0.01492 76 4XX -0.00055 0.00024 -0.00004 0.00057 0.00022 77 4YY -0.00033 -0.00056 0.00123 -0.00071 -0.00036 78 4ZZ -0.00034 0.00092 -0.00065 -0.00050 -0.00039 79 4XY 0.00083 -0.00020 0.00007 -0.00009 -0.00046 80 4XZ 0.00034 -0.00049 -0.00026 0.00035 -0.00001 81 4YZ -0.00022 0.00038 -0.00008 -0.00059 -0.00096 82 9 H 1S -0.01175 0.01845 0.00000 -0.00997 0.00000 83 2S -0.00629 0.01677 0.00000 -0.01244 0.00000 84 10 C 1S 0.00010 -0.00004 -0.00002 -0.00017 -0.00001 85 2S 0.00015 0.00045 -0.00011 -0.00039 -0.00058 86 2PX -0.00024 -0.00040 0.00120 -0.00042 0.00206 87 2PY 0.00000 -0.00004 0.00009 -0.00028 -0.00005 88 2PZ -0.00017 -0.00036 0.00047 -0.00030 0.00072 89 3S -0.00058 -0.00114 0.00034 0.00144 0.00193 90 3PX 0.00008 0.00005 0.00088 -0.00114 0.00131 91 3PY 0.00009 0.00003 -0.00002 -0.00035 -0.00034 92 3PZ 0.00036 0.00055 0.00038 -0.00147 -0.00071 93 4XX -0.00007 0.00000 0.00005 0.00000 0.00005 94 4YY 0.00001 0.00006 0.00001 -0.00009 -0.00002 95 4ZZ 0.00006 0.00007 -0.00007 -0.00016 -0.00013 96 4XY -0.00001 0.00001 0.00009 0.00003 0.00014 97 4XZ 0.00003 0.00000 -0.00002 -0.00003 -0.00003 98 4YZ 0.00001 0.00002 0.00002 -0.00001 0.00003 99 11 C 1S -0.00008 -0.00012 0.00018 0.00032 0.00046 100 2S 0.00011 0.00031 -0.00052 -0.00043 -0.00087 101 2PX -0.00156 -0.00053 0.00176 0.00163 0.00279 102 2PY -0.00022 -0.00017 0.00062 0.00015 0.00053 103 2PZ -0.00039 -0.00010 0.00084 0.00077 0.00119 104 3S 0.00080 0.00178 0.00033 -0.00332 -0.00359 105 3PX -0.00111 -0.00018 0.00147 0.00067 0.00202 106 3PY -0.00083 -0.00126 0.00048 0.00188 0.00136 107 3PZ -0.00030 -0.00035 0.00065 0.00154 0.00160 108 4XX -0.00008 -0.00006 -0.00003 0.00013 0.00013 109 4YY 0.00002 0.00000 -0.00001 -0.00001 -0.00004 110 4ZZ 0.00000 -0.00003 0.00002 0.00001 0.00006 111 4XY 0.00007 -0.00001 0.00002 0.00000 0.00000 112 4XZ 0.00004 -0.00008 0.00005 0.00002 0.00017 113 4YZ 0.00001 -0.00002 0.00001 -0.00003 0.00001 114 12 C 1S 0.00022 -0.00011 0.00013 -0.00006 0.00009 115 2S -0.00059 0.00020 0.00007 0.00001 -0.00026 116 2PX 0.00082 -0.00015 -0.00021 -0.00004 -0.00002 117 2PY 0.00006 0.00007 0.00007 0.00004 0.00008 118 2PZ -0.00003 -0.00029 -0.00022 0.00048 0.00009 119 3S -0.00107 -0.00025 -0.00194 0.00198 0.00025 120 3PX -0.00010 0.00010 0.00061 -0.00010 -0.00042 121 3PY -0.00016 0.00011 0.00048 0.00035 0.00011 122 3PZ -0.00035 -0.00077 0.00010 0.00125 0.00107 123 4XX 0.00015 -0.00003 -0.00004 -0.00006 -0.00010 124 4YY -0.00006 0.00001 0.00004 0.00001 0.00003 125 4ZZ -0.00011 -0.00001 0.00009 0.00008 0.00009 126 4XY 0.00001 -0.00001 -0.00002 0.00001 0.00000 127 4XZ 0.00003 -0.00002 0.00003 -0.00001 0.00001 128 4YZ -0.00001 -0.00002 0.00001 0.00004 0.00003 129 13 C 1S 0.00022 -0.00011 -0.00013 -0.00006 -0.00009 130 2S -0.00059 0.00020 -0.00007 0.00001 0.00026 131 2PX 0.00082 -0.00015 0.00021 -0.00004 0.00002 132 2PY -0.00006 -0.00007 0.00007 -0.00004 0.00008 133 2PZ -0.00003 -0.00029 0.00022 0.00048 -0.00009 134 3S -0.00107 -0.00025 0.00194 0.00198 -0.00025 135 3PX -0.00010 0.00010 -0.00061 -0.00010 0.00042 136 3PY 0.00016 -0.00011 0.00048 -0.00035 0.00011 137 3PZ -0.00035 -0.00077 -0.00010 0.00125 -0.00107 138 4XX 0.00015 -0.00003 0.00004 -0.00006 0.00010 139 4YY -0.00006 0.00001 -0.00004 0.00001 -0.00003 140 4ZZ -0.00011 -0.00001 -0.00009 0.00008 -0.00009 141 4XY -0.00001 0.00001 -0.00002 -0.00001 0.00000 142 4XZ 0.00003 -0.00002 -0.00003 -0.00001 -0.00001 143 4YZ 0.00001 0.00002 0.00001 -0.00004 0.00003 144 14 C 1S -0.00008 -0.00012 -0.00018 0.00032 -0.00046 145 2S 0.00011 0.00031 0.00052 -0.00043 0.00087 146 2PX -0.00156 -0.00053 -0.00176 0.00163 -0.00279 147 2PY 0.00022 0.00017 0.00062 -0.00015 0.00053 148 2PZ -0.00039 -0.00010 -0.00084 0.00077 -0.00119 149 3S 0.00080 0.00178 -0.00033 -0.00332 0.00359 150 3PX -0.00111 -0.00018 -0.00147 0.00067 -0.00202 151 3PY 0.00083 0.00126 0.00048 -0.00188 0.00136 152 3PZ -0.00030 -0.00036 -0.00065 0.00154 -0.00160 153 4XX -0.00008 -0.00006 0.00003 0.00013 -0.00013 154 4YY 0.00002 0.00000 0.00001 -0.00001 0.00004 155 4ZZ 0.00000 -0.00003 -0.00002 0.00001 -0.00006 156 4XY -0.00007 0.00001 0.00002 0.00000 0.00000 157 4XZ 0.00004 -0.00008 -0.00005 0.00002 -0.00017 158 4YZ -0.00001 0.00002 0.00001 0.00003 0.00001 159 15 C 1S 0.00010 -0.00004 0.00002 -0.00017 0.00001 160 2S 0.00015 0.00045 0.00011 -0.00039 0.00058 161 2PX -0.00024 -0.00040 -0.00120 -0.00042 -0.00207 162 2PY 0.00000 0.00004 0.00009 0.00028 -0.00005 163 2PZ -0.00017 -0.00036 -0.00047 -0.00030 -0.00072 164 3S -0.00058 -0.00114 -0.00034 0.00144 -0.00193 165 3PX 0.00008 0.00004 -0.00088 -0.00114 -0.00131 166 3PY -0.00009 -0.00003 -0.00002 0.00035 -0.00034 167 3PZ 0.00036 0.00055 -0.00038 -0.00147 0.00071 168 4XX -0.00007 0.00000 -0.00005 0.00000 -0.00005 169 4YY 0.00001 0.00006 -0.00001 -0.00009 0.00002 170 4ZZ 0.00006 0.00007 0.00007 -0.00016 0.00013 171 4XY 0.00001 -0.00001 0.00009 -0.00003 0.00014 172 4XZ 0.00003 0.00000 0.00002 -0.00003 0.00003 173 4YZ -0.00001 -0.00002 0.00002 0.00001 0.00003 174 16 H 1S 0.00005 0.00009 -0.00016 -0.00029 -0.00048 175 2S -0.00008 -0.00007 -0.00016 0.00016 0.00036 176 17 H 1S 0.00007 0.00010 0.00008 -0.00028 -0.00034 177 2S 0.00029 0.00030 -0.00018 -0.00021 0.00030 178 18 H 1S -0.00043 0.00012 0.00038 0.00003 0.00021 179 2S -0.00048 -0.00048 0.00090 0.00060 0.00118 180 19 H 1S -0.00043 0.00012 -0.00038 0.00003 -0.00021 181 2S -0.00048 -0.00048 -0.00090 0.00060 -0.00118 182 20 H 1S 0.00007 0.00010 -0.00008 -0.00028 0.00034 183 2S 0.00029 0.00030 0.00018 -0.00021 -0.00030 184 21 H 1S 0.00005 0.00009 0.00016 -0.00029 0.00048 185 2S -0.00008 -0.00007 0.00016 0.00016 -0.00036 186 22 H 1S 0.00063 -0.00004 -0.00036 -0.00022 -0.00038 187 2S 0.00159 0.00007 -0.00069 -0.00119 -0.00057 188 23 H 1S 0.00063 -0.00004 0.00036 -0.00022 0.00038 189 2S 0.00159 0.00007 0.00069 -0.00119 0.00057 46 47 48 49 50 46 4 O 1S 2.07561 47 2S -0.17780 0.50274 48 2PX 0.00636 -0.01603 0.61892 49 2PY 0.03934 -0.07420 0.05183 0.66749 50 2PZ -0.01473 0.02195 0.12923 -0.00023 0.74389 51 3S -0.24634 0.59440 -0.01669 -0.21224 0.11210 52 3PX 0.00455 -0.01074 0.37210 0.06148 0.14988 53 3PY 0.02576 -0.04951 0.05983 0.42594 -0.00053 54 3PZ -0.01066 0.01633 0.13510 -0.00842 0.49384 55 4XX -0.01619 -0.00080 0.00625 -0.00495 0.00255 56 4YY -0.01262 -0.00841 0.00035 0.04102 0.00096 57 4ZZ -0.01277 -0.00781 -0.00492 -0.00627 -0.01860 58 4XY 0.00166 -0.00377 0.02715 0.00461 0.00501 59 4XZ 0.00340 -0.00727 -0.00843 -0.00122 0.00375 60 4YZ -0.00109 0.00217 0.00342 -0.00832 0.02954 61 5 H 1S 0.01282 -0.02690 -0.01029 0.02050 0.05198 62 2S 0.01379 -0.02820 -0.00388 0.02782 0.09370 63 6 H 1S -0.00279 0.00880 0.02792 0.02038 -0.00863 64 2S -0.00197 0.00720 0.05716 0.04583 0.00700 65 7 H 1S 0.00801 -0.02061 0.06403 -0.01288 0.05215 66 2S 0.00100 -0.00591 0.12383 -0.03428 0.13124 67 8 O 1S 0.00077 -0.00160 0.00910 0.01112 -0.00310 68 2S -0.00160 0.00452 -0.01812 -0.02882 0.00330 69 2PX 0.00910 -0.01812 0.00972 -0.00656 0.01635 70 2PY -0.01112 0.02882 0.00655 0.13503 0.00428 71 2PZ -0.00310 0.00330 0.01635 -0.00427 -0.01312 72 3S -0.01102 0.02308 -0.07518 -0.06163 0.01889 73 3PX 0.01177 -0.02562 0.02099 -0.00495 0.01555 74 3PY -0.00498 0.01321 0.01229 0.10394 0.00626 75 3PZ -0.00397 0.00693 0.00999 -0.00410 -0.01050 76 4XX 0.00000 0.00009 0.00255 -0.00359 -0.00261 77 4YY 0.00031 -0.00108 -0.00115 0.00255 -0.00063 78 4ZZ -0.00004 0.00051 0.00203 -0.00079 -0.00135 79 4XY -0.00099 0.00234 -0.00158 0.00245 -0.00155 80 4XZ -0.00039 0.00093 0.00036 0.00261 0.00268 81 4YZ 0.00056 -0.00137 -0.00055 -0.00314 0.00084 82 9 H 1S 0.01123 -0.02517 -0.00185 -0.01429 -0.06397 83 2S 0.00725 -0.01491 -0.02329 -0.03433 -0.11726 84 10 C 1S 0.00017 0.00030 -0.00062 0.00034 -0.00118 85 2S -0.00032 -0.00040 -0.00050 -0.00148 0.00070 86 2PX 0.00064 -0.00313 -0.02007 0.00167 -0.02971 87 2PY -0.00007 -0.00067 -0.00058 0.00222 -0.00331 88 2PZ 0.00055 -0.00034 -0.01189 -0.00108 -0.01574 89 3S -0.00149 0.00641 0.00853 0.00835 -0.01134 90 3PX 0.00036 -0.00155 -0.02170 0.00126 -0.03542 91 3PY -0.00011 -0.00105 -0.00217 0.00103 0.00042 92 3PZ 0.00205 -0.00568 -0.01803 -0.00503 -0.01215 93 4XX 0.00009 -0.00030 0.00010 -0.00007 -0.00015 94 4YY 0.00005 -0.00012 -0.00069 -0.00036 -0.00069 95 4ZZ -0.00009 0.00025 -0.00045 0.00042 -0.00152 96 4XY 0.00039 -0.00091 -0.00128 -0.00035 -0.00076 97 4XZ 0.00001 0.00006 -0.00034 0.00013 -0.00058 98 4YZ 0.00016 -0.00020 -0.00087 -0.00017 -0.00064 99 11 C 1S 0.00002 -0.00038 -0.00122 -0.00050 -0.00102 100 2S -0.00145 0.00284 0.00718 0.00170 0.00620 101 2PX 0.00291 -0.00860 -0.00222 -0.00768 0.00801 102 2PY 0.00133 -0.00304 -0.00519 -0.00657 0.00389 103 2PZ 0.00101 -0.00527 -0.00202 -0.00397 0.00418 104 3S 0.00457 -0.01157 -0.01281 -0.00841 -0.00222 105 3PX 0.00208 -0.00614 -0.00674 -0.00804 -0.00040 106 3PY -0.00260 0.00614 0.01517 -0.00076 0.01151 107 3PZ 0.00092 -0.00469 -0.00523 -0.00886 0.00888 108 4XX -0.00012 0.00034 0.00028 0.00028 -0.00064 109 4YY -0.00012 0.00021 0.00017 -0.00052 0.00104 110 4ZZ -0.00010 0.00019 -0.00013 0.00023 -0.00054 111 4XY 0.00009 -0.00022 -0.00113 -0.00053 -0.00061 112 4XZ 0.00001 0.00001 -0.00181 0.00036 -0.00291 113 4YZ 0.00003 0.00002 -0.00051 -0.00004 -0.00067 114 12 C 1S 0.00015 -0.00021 -0.00393 -0.00083 -0.00361 115 2S 0.00042 -0.00070 0.00729 -0.00074 0.00760 116 2PX -0.00037 0.00066 -0.00858 -0.00008 -0.00808 117 2PY 0.00041 -0.00025 -0.00459 -0.00242 -0.00167 118 2PZ -0.00059 0.00108 0.00520 0.00214 0.00525 119 3S -0.00489 0.01225 0.03591 0.01185 0.03074 120 3PX 0.00123 -0.00373 -0.00294 -0.00708 0.00085 121 3PY 0.00170 -0.00436 -0.00522 -0.00814 0.00402 122 3PZ -0.00039 0.00091 0.00686 0.00425 0.00183 123 4XX -0.00012 0.00034 -0.00105 0.00003 -0.00118 124 4YY 0.00003 -0.00012 0.00047 -0.00019 0.00025 125 4ZZ 0.00011 -0.00034 0.00047 -0.00049 0.00073 126 4XY -0.00017 0.00034 0.00025 0.00005 -0.00016 127 4XZ 0.00006 -0.00013 -0.00064 -0.00020 -0.00038 128 4YZ -0.00003 -0.00002 0.00013 -0.00009 0.00034 129 13 C 1S 0.00044 -0.00137 -0.00296 0.00165 0.00003 130 2S -0.00157 0.00300 0.01008 0.00188 -0.00152 131 2PX 0.00371 -0.00679 -0.01532 0.00018 -0.00341 132 2PY 0.00109 -0.00234 -0.00093 0.00206 0.00210 133 2PZ 0.00111 -0.00124 -0.00048 -0.00205 0.00841 134 3S -0.00155 -0.00300 0.01344 -0.03549 0.03276 135 3PX 0.00042 0.00191 0.00446 0.01304 -0.00615 136 3PY 0.00367 -0.00816 -0.01166 0.00111 -0.00409 137 3PZ -0.00071 0.00097 0.01572 -0.00289 0.03341 138 4XX 0.00051 -0.00101 -0.00387 0.00036 -0.00241 139 4YY -0.00008 0.00029 0.00161 0.00047 0.00108 140 4ZZ -0.00048 0.00113 0.00363 0.00057 0.00235 141 4XY -0.00014 0.00024 0.00018 0.00002 -0.00008 142 4XZ 0.00004 0.00001 -0.00019 0.00045 -0.00013 143 4YZ 0.00009 -0.00023 -0.00050 0.00027 -0.00117 144 14 C 1S -0.00086 0.00268 0.00889 -0.00038 0.00866 145 2S 0.00337 -0.00668 -0.01757 -0.00094 -0.01317 146 2PX -0.01007 0.02195 0.06629 0.00085 0.06209 147 2PY 0.00120 -0.00203 -0.01290 -0.00424 -0.01558 148 2PZ -0.00238 0.00742 0.02473 0.00146 0.02921 149 3S 0.00144 0.00391 -0.04869 0.02111 -0.09212 150 3PX -0.00263 0.00682 0.04552 0.01180 0.03825 151 3PY -0.00207 0.00694 -0.02806 -0.00718 -0.05303 152 3PZ -0.00641 0.01295 0.03116 -0.01289 0.04298 153 4XX 0.00006 -0.00007 0.00328 -0.00016 0.00251 154 4YY 0.00031 -0.00072 -0.00077 0.00000 0.00015 155 4ZZ 0.00003 -0.00014 0.00034 0.00011 0.00078 156 4XY -0.00009 0.00028 0.00102 -0.00006 0.00019 157 4XZ -0.00002 0.00003 0.00068 0.00041 0.00165 158 4YZ -0.00011 0.00026 0.00025 -0.00032 0.00033 159 15 C 1S -0.00016 0.00099 0.00076 0.00049 -0.00063 160 2S 0.00196 -0.00335 -0.01200 -0.00001 -0.01549 161 2PX -0.00628 0.01491 0.02456 0.00756 0.01403 162 2PY -0.00032 0.00050 0.00146 -0.00366 0.00533 163 2PZ -0.00258 0.00319 0.00916 0.00455 -0.00171 164 3S 0.00144 -0.00728 0.02296 0.00489 0.05106 165 3PX -0.00170 0.00501 0.00607 0.01113 -0.00745 166 3PY -0.00117 0.00105 0.00432 -0.00434 0.01535 167 3PZ -0.00120 0.00430 -0.01173 0.00847 -0.03939 168 4XX 0.00003 0.00029 0.00189 0.00082 0.00109 169 4YY 0.00028 -0.00039 -0.00082 0.00040 -0.00148 170 4ZZ 0.00067 -0.00127 -0.00346 0.00045 -0.00451 171 4XY 0.00019 -0.00052 -0.00193 -0.00018 -0.00238 172 4XZ 0.00018 -0.00032 -0.00084 0.00034 -0.00090 173 4YZ 0.00005 0.00006 -0.00022 -0.00009 0.00001 174 16 H 1S -0.00024 0.00104 -0.00036 -0.00029 -0.00077 175 2S -0.00051 0.00232 0.00181 0.00247 -0.00436 176 17 H 1S 0.00034 -0.00088 -0.00065 -0.00349 0.00569 177 2S 0.00124 -0.00302 -0.00815 -0.00103 -0.00002 178 18 H 1S 0.00093 -0.00183 0.00018 -0.00170 0.00091 179 2S 0.00141 -0.00309 -0.00322 -0.00048 -0.00475 180 19 H 1S -0.00258 0.00478 0.01275 0.00189 0.00315 181 2S -0.00236 0.00441 0.02355 0.00792 0.02458 182 20 H 1S 0.00125 -0.00261 -0.00526 0.00239 -0.00185 183 2S -0.00309 0.00678 -0.00002 -0.01304 0.00161 184 21 H 1S 0.00130 -0.00406 -0.00787 0.00130 -0.01335 185 2S -0.00056 -0.00094 0.00138 -0.00570 0.00826 186 22 H 1S -0.00084 0.00221 -0.00346 0.00090 -0.00468 187 2S -0.00168 0.00459 -0.01451 0.00448 -0.02098 188 23 H 1S 0.00282 -0.00546 -0.01672 -0.00082 -0.00972 189 2S 0.00487 -0.01002 -0.04162 -0.00279 -0.02838 51 52 53 54 55 51 3S 0.76069 52 3PX -0.01069 0.23556 53 3PY -0.13519 0.05352 0.27450 54 3PZ 0.07653 0.12927 -0.00435 0.33562 55 4XX -0.00067 0.00334 -0.00251 0.00185 0.00074 56 4YY -0.01783 0.00225 0.02579 -0.00021 -0.00028 57 4ZZ -0.01080 -0.00471 -0.00415 -0.01187 0.00002 58 4XY -0.00352 0.01606 0.00408 0.00536 0.00009 59 4XZ -0.00701 -0.00438 -0.00132 0.00179 -0.00011 60 4YZ 0.00677 0.00422 -0.00516 0.01899 0.00027 61 5 H 1S -0.06288 0.00200 0.01344 0.04014 0.00263 62 2S -0.05496 0.01335 0.01586 0.06766 0.00065 63 6 H 1S 0.01003 0.02086 0.01409 -0.00676 -0.00019 64 2S -0.00120 0.04128 0.02974 0.00661 0.00011 65 7 H 1S -0.03252 0.05656 -0.00786 0.04855 0.00535 66 2S 0.00354 0.09829 -0.02123 0.10793 0.00406 67 8 O 1S -0.01102 0.01177 0.00498 -0.00397 0.00000 68 2S 0.02308 -0.02562 -0.01321 0.00693 0.00009 69 2PX -0.07518 0.02099 -0.01229 0.00999 0.00255 70 2PY 0.06163 0.00494 0.10394 0.00411 0.00359 71 2PZ 0.01889 0.01555 -0.00625 -0.01050 -0.00261 72 3S 0.06983 -0.06313 -0.03226 0.01406 0.00030 73 3PX -0.06313 0.02449 -0.00922 0.01259 0.00108 74 3PY 0.03226 0.00922 0.07743 0.00648 0.00177 75 3PZ 0.01406 0.01259 -0.00647 -0.00572 -0.00182 76 4XX 0.00030 0.00108 -0.00177 -0.00182 0.00036 77 4YY -0.00505 -0.00019 0.00042 -0.00090 -0.00033 78 4ZZ 0.00033 0.00127 -0.00037 -0.00048 0.00001 79 4XY 0.00364 -0.00128 0.00200 -0.00105 0.00004 80 4XZ 0.00163 0.00074 0.00161 0.00200 -0.00003 81 4YZ -0.00165 -0.00027 -0.00232 0.00130 -0.00004 82 9 H 1S -0.05214 -0.01062 -0.00658 -0.05254 0.00087 83 2S -0.03216 -0.03139 -0.02008 -0.08475 -0.00049 84 10 C 1S -0.00277 -0.00096 -0.00088 -0.00123 0.00038 85 2S 0.00563 0.00146 0.00020 0.00051 -0.00036 86 2PX 0.00738 -0.01782 0.00990 -0.03368 0.00242 87 2PY 0.00387 -0.00060 0.00307 -0.00485 0.00028 88 2PZ -0.00662 -0.01388 0.00115 -0.01600 0.00143 89 3S 0.00588 0.00558 0.00722 -0.00619 -0.00044 90 3PX 0.00152 -0.02051 0.00686 -0.03489 0.00213 91 3PY 0.00014 -0.00226 0.00142 -0.00287 0.00082 92 3PZ -0.00464 -0.01529 -0.00110 -0.01450 0.00124 93 4XX -0.00071 0.00000 -0.00011 -0.00016 0.00003 94 4YY -0.00058 -0.00055 -0.00039 -0.00043 0.00000 95 4ZZ 0.00027 -0.00055 0.00036 -0.00104 -0.00003 96 4XY -0.00184 -0.00063 -0.00066 -0.00052 0.00005 97 4XZ 0.00001 -0.00044 0.00009 -0.00047 0.00001 98 4YZ -0.00139 -0.00081 -0.00040 -0.00035 0.00004 99 11 C 1S 0.00101 -0.00035 -0.00002 -0.00184 0.00036 100 2S 0.00705 0.00720 0.00141 0.00706 -0.00081 101 2PX -0.01489 0.00157 -0.00583 0.00302 0.00128 102 2PY -0.00945 -0.00442 -0.00675 0.00182 0.00060 103 2PZ 0.00560 0.00312 -0.00124 -0.00072 0.00032 104 3S -0.00785 -0.00781 -0.00526 -0.00102 -0.00078 105 3PX -0.01129 -0.00337 -0.00638 -0.00407 0.00131 106 3PY 0.00441 0.01144 -0.00116 0.00956 0.00004 107 3PZ 0.00202 0.00045 -0.00584 0.00421 0.00027 108 4XX -0.00003 -0.00008 0.00023 -0.00059 0.00006 109 4YY 0.00004 0.00017 -0.00054 0.00085 -0.00001 110 4ZZ 0.00037 -0.00021 0.00038 -0.00068 0.00007 111 4XY -0.00019 -0.00088 -0.00043 -0.00053 0.00002 112 4XZ 0.00034 -0.00170 0.00067 -0.00291 0.00018 113 4YZ -0.00034 -0.00056 -0.00006 -0.00055 0.00003 114 12 C 1S -0.00062 -0.00366 -0.00033 -0.00369 0.00027 115 2S -0.00499 0.00589 -0.00159 0.00831 -0.00037 116 2PX 0.00697 -0.00780 0.00074 -0.00906 0.00026 117 2PY -0.00506 -0.00547 -0.00191 -0.00125 0.00051 118 2PZ 0.00339 0.00518 0.00125 0.00448 -0.00048 119 3S 0.01358 0.02874 0.00689 0.03048 -0.00159 120 3PX -0.00142 -0.00212 -0.00480 -0.00030 -0.00004 121 3PY -0.00753 -0.00357 -0.00664 0.00307 0.00025 122 3PZ 0.00147 0.00616 0.00281 0.00229 -0.00035 123 4XX 0.00070 -0.00108 0.00013 -0.00099 0.00000 124 4YY -0.00016 0.00051 -0.00027 0.00025 -0.00003 125 4ZZ -0.00058 0.00048 -0.00030 0.00052 0.00005 126 4XY 0.00126 0.00023 0.00013 -0.00030 -0.00004 127 4XZ -0.00016 -0.00058 -0.00013 -0.00046 0.00004 128 4YZ 0.00041 0.00025 -0.00005 0.00017 -0.00003 129 13 C 1S -0.00055 -0.00206 0.00172 -0.00059 0.00012 130 2S 0.01055 0.00959 0.00105 -0.00081 -0.00090 131 2PX -0.02855 -0.01531 -0.00127 -0.00060 0.00191 132 2PY -0.00687 0.00032 0.00054 0.00217 0.00015 133 2PZ -0.01185 -0.00167 -0.00238 0.00828 0.00081 134 3S 0.01109 0.01576 -0.02545 0.02361 -0.00072 135 3PX -0.01174 -0.00004 0.00761 -0.00191 0.00083 136 3PY -0.01352 -0.00815 0.00040 -0.00476 0.00053 137 3PZ -0.00007 0.01213 -0.00169 0.02472 0.00058 138 4XX -0.00312 -0.00320 0.00004 -0.00227 0.00032 139 4YY 0.00022 0.00123 0.00027 0.00116 -0.00008 140 4ZZ 0.00269 0.00273 0.00060 0.00196 -0.00019 141 4XY 0.00112 0.00027 0.00008 -0.00018 -0.00006 142 4XZ -0.00009 -0.00016 0.00037 -0.00011 0.00002 143 4YZ -0.00005 -0.00031 0.00016 -0.00101 -0.00002 144 14 C 1S 0.00061 0.00485 0.00011 0.00749 -0.00003 145 2S -0.01746 -0.01409 -0.00345 -0.00983 0.00044 146 2PX 0.05591 0.05227 0.00650 0.05298 -0.00442 147 2PY -0.00874 -0.01129 -0.00475 -0.01508 0.00134 148 2PZ 0.00523 0.01698 0.00072 0.02888 -0.00168 149 3S -0.02043 -0.04106 0.00961 -0.06529 0.00033 150 3PX 0.02385 0.03457 0.01157 0.03393 -0.00300 151 3PY 0.00110 -0.02404 -0.00613 -0.03855 0.00034 152 3PZ 0.02508 0.02365 -0.00743 0.03639 -0.00159 153 4XX -0.00019 0.00191 0.00012 0.00158 0.00023 154 4YY -0.00078 -0.00033 -0.00010 0.00028 -0.00008 155 4ZZ 0.00104 0.00043 0.00035 0.00031 -0.00007 156 4XY 0.00071 0.00084 0.00010 0.00031 -0.00009 157 4XZ 0.00046 0.00008 0.00086 0.00070 0.00016 158 4YZ -0.00033 0.00012 -0.00035 0.00054 -0.00002 159 15 C 1S -0.00251 -0.00044 -0.00028 -0.00024 0.00010 160 2S -0.00867 -0.00850 -0.00156 -0.00918 -0.00042 161 2PX 0.03775 0.01225 0.01626 0.00683 -0.00075 162 2PY 0.00002 0.00192 -0.00301 0.00427 0.00008 163 2PZ 0.02601 0.00782 0.01028 -0.00549 -0.00040 164 3S -0.00297 0.01867 0.00433 0.03327 0.00091 165 3PX 0.01931 -0.00006 0.01577 -0.00944 -0.00020 166 3PY 0.00177 0.00418 -0.00375 0.01008 0.00041 167 3PZ 0.00850 -0.01153 0.00898 -0.02902 -0.00044 168 4XX 0.00056 0.00131 0.00067 0.00086 -0.00003 169 4YY -0.00028 -0.00044 0.00032 -0.00085 -0.00010 170 4ZZ -0.00241 -0.00271 0.00014 -0.00364 0.00012 171 4XY -0.00047 -0.00153 0.00013 -0.00237 0.00017 172 4XZ -0.00121 -0.00093 0.00014 -0.00098 0.00017 173 4YZ -0.00080 -0.00048 -0.00010 0.00000 0.00007 174 16 H 1S -0.00178 -0.00173 -0.00055 -0.00012 0.00000 175 2S -0.00258 -0.00070 0.00096 -0.00156 -0.00020 176 17 H 1S -0.00296 -0.00011 -0.00390 0.00487 -0.00010 177 2S -0.00581 -0.00565 -0.00233 -0.00050 0.00025 178 18 H 1S -0.00731 -0.00048 -0.00153 0.00141 0.00042 179 2S -0.00846 -0.00270 -0.00017 -0.00447 0.00082 180 19 H 1S 0.01924 0.01151 0.00251 0.00139 -0.00134 181 2S 0.01852 0.01922 0.00760 0.01707 -0.00120 182 20 H 1S -0.00517 -0.00311 0.00103 0.00062 -0.00048 183 2S 0.01142 0.00016 -0.00824 0.00427 -0.00078 184 21 H 1S 0.00047 -0.00364 0.00134 -0.01084 -0.00012 185 2S 0.00859 0.00378 -0.00262 0.00332 0.00019 186 22 H 1S 0.00626 -0.00396 0.00110 -0.00449 -0.00013 187 2S 0.01139 -0.01389 0.00490 -0.01877 0.00012 188 23 H 1S -0.02004 -0.01460 -0.00185 -0.00719 0.00151 189 2S -0.02790 -0.03392 -0.00266 -0.02417 0.00237 56 57 58 59 60 56 4YY 0.00293 57 4ZZ -0.00029 0.00115 58 4XY 0.00013 -0.00025 0.00154 59 4XZ 0.00005 -0.00011 -0.00035 0.00055 60 4YZ -0.00043 -0.00061 -0.00006 0.00011 0.00156 61 5 H 1S 0.00078 0.00410 -0.00297 -0.00342 0.00327 62 2S 0.00208 0.00237 -0.00282 -0.00108 0.00477 63 6 H 1S 0.00068 -0.00004 -0.00091 0.00087 0.00058 64 2S 0.00223 -0.00076 0.00028 0.00097 0.00074 65 7 H 1S -0.00056 -0.00300 -0.00115 0.00171 -0.00049 66 2S -0.00325 -0.00390 0.00318 0.00187 0.00198 67 8 O 1S 0.00031 -0.00004 0.00099 -0.00039 -0.00056 68 2S -0.00108 0.00051 -0.00234 0.00093 0.00137 69 2PX -0.00115 0.00203 0.00158 0.00036 0.00055 70 2PY -0.00255 0.00079 0.00245 -0.00261 -0.00314 71 2PZ -0.00063 -0.00135 0.00155 0.00268 -0.00084 72 3S -0.00505 0.00033 -0.00364 0.00163 0.00165 73 3PX -0.00019 0.00127 0.00128 0.00074 0.00027 74 3PY -0.00042 0.00037 0.00200 -0.00161 -0.00232 75 3PZ -0.00090 -0.00048 0.00105 0.00200 -0.00130 76 4XX -0.00033 0.00001 -0.00004 -0.00003 0.00004 77 4YY 0.00088 -0.00023 -0.00016 0.00012 0.00005 78 4ZZ -0.00023 0.00030 0.00004 -0.00017 -0.00001 79 4XY 0.00016 -0.00004 -0.00043 -0.00001 0.00006 80 4XZ 0.00012 -0.00017 0.00001 0.00010 -0.00001 81 4YZ -0.00005 0.00001 0.00006 0.00001 -0.00017 82 9 H 1S 0.00015 0.00490 -0.00128 -0.00491 0.00201 83 2S -0.00212 0.00625 -0.00065 -0.00411 -0.00132 84 10 C 1S 0.00014 0.00034 -0.00004 0.00003 -0.00007 85 2S -0.00032 -0.00016 0.00003 -0.00005 -0.00007 86 2PX 0.00037 -0.00314 -0.00089 -0.00067 -0.00048 87 2PY -0.00024 -0.00064 -0.00007 -0.00015 -0.00010 88 2PZ 0.00065 -0.00098 -0.00058 -0.00021 -0.00010 89 3S 0.00061 -0.00002 0.00006 -0.00034 -0.00041 90 3PX 0.00047 -0.00210 -0.00107 -0.00041 -0.00051 91 3PY -0.00010 -0.00084 -0.00008 0.00016 0.00018 92 3PZ 0.00001 -0.00107 -0.00071 -0.00001 0.00003 93 4XX 0.00001 -0.00001 0.00001 0.00000 -0.00001 94 4YY 0.00000 0.00005 -0.00002 0.00001 -0.00004 95 4ZZ 0.00003 0.00005 -0.00004 -0.00003 -0.00001 96 4XY -0.00008 0.00003 -0.00002 0.00012 -0.00008 97 4XZ 0.00003 0.00001 -0.00001 0.00000 0.00002 98 4YZ 0.00002 0.00007 -0.00004 0.00004 -0.00002 99 11 C 1S -0.00018 -0.00033 0.00006 0.00003 -0.00003 100 2S -0.00013 0.00024 0.00026 -0.00020 0.00005 101 2PX -0.00076 -0.00126 0.00034 0.00061 -0.00071 102 2PY 0.00003 -0.00029 0.00010 0.00015 -0.00019 103 2PZ -0.00104 -0.00124 0.00031 0.00021 -0.00044 104 3S -0.00018 0.00069 -0.00056 -0.00010 0.00019 105 3PX -0.00066 -0.00124 0.00016 0.00064 -0.00054 106 3PY 0.00002 -0.00035 0.00050 -0.00005 0.00017 107 3PZ -0.00119 -0.00071 0.00023 0.00038 -0.00034 108 4XX 0.00002 -0.00001 -0.00001 0.00001 0.00004 109 4YY -0.00001 0.00000 0.00003 0.00000 0.00001 110 4ZZ 0.00001 -0.00008 -0.00002 -0.00001 0.00000 111 4XY -0.00003 0.00001 -0.00002 0.00003 0.00000 112 4XZ 0.00004 -0.00017 -0.00010 0.00000 -0.00002 113 4YZ 0.00002 -0.00001 -0.00002 0.00000 -0.00001 114 12 C 1S 0.00008 -0.00004 -0.00015 0.00001 0.00000 115 2S 0.00010 0.00041 0.00024 0.00003 0.00006 116 2PX -0.00004 -0.00041 -0.00029 0.00002 0.00011 117 2PY 0.00005 0.00037 -0.00001 0.00013 0.00004 118 2PZ -0.00014 0.00005 0.00011 0.00009 0.00009 119 3S 0.00021 0.00074 0.00152 -0.00053 0.00006 120 3PX -0.00025 0.00005 -0.00009 0.00008 0.00024 121 3PY -0.00046 0.00043 -0.00002 0.00030 0.00008 122 3PZ 0.00005 0.00006 0.00013 0.00008 -0.00010 123 4XX 0.00003 0.00003 -0.00007 -0.00001 0.00005 124 4YY -0.00003 0.00000 0.00004 0.00001 -0.00003 125 4ZZ -0.00003 -0.00004 0.00004 0.00001 -0.00001 126 4XY -0.00002 -0.00003 0.00002 -0.00001 -0.00001 127 4XZ 0.00001 -0.00002 -0.00002 0.00001 0.00001 128 4YZ -0.00003 -0.00004 0.00001 0.00001 -0.00001 129 13 C 1S -0.00010 -0.00034 -0.00009 -0.00013 0.00005 130 2S -0.00042 -0.00011 0.00065 -0.00010 -0.00045 131 2PX 0.00058 0.00008 -0.00087 0.00037 0.00045 132 2PY 0.00020 -0.00015 -0.00031 0.00003 0.00006 133 2PZ 0.00036 0.00070 -0.00007 0.00006 0.00042 134 3S -0.00274 -0.00033 0.00088 0.00093 0.00078 135 3PX 0.00091 0.00005 0.00015 -0.00011 -0.00027 136 3PY 0.00032 -0.00009 -0.00069 0.00013 0.00010 137 3PZ -0.00001 -0.00031 0.00047 -0.00010 0.00133 138 4XX 0.00003 -0.00004 -0.00017 0.00010 0.00000 139 4YY 0.00004 0.00002 0.00006 -0.00002 -0.00001 140 4ZZ 0.00003 -0.00001 0.00016 -0.00010 0.00003 141 4XY -0.00001 -0.00001 0.00001 -0.00001 -0.00002 142 4XZ 0.00002 -0.00003 -0.00001 -0.00002 0.00000 143 4YZ -0.00002 -0.00001 -0.00002 0.00002 -0.00003 144 14 C 1S 0.00025 0.00030 0.00038 -0.00027 0.00036 145 2S 0.00059 0.00092 -0.00095 0.00084 -0.00061 146 2PX 0.00045 0.00040 0.00295 -0.00236 0.00133 147 2PY -0.00067 0.00037 -0.00044 0.00032 0.00013 148 2PZ 0.00094 0.00115 0.00067 -0.00077 0.00079 149 3S 0.00178 0.00200 -0.00204 0.00053 -0.00375 150 3PX 0.00115 0.00059 0.00209 -0.00173 0.00076 151 3PY -0.00060 0.00102 -0.00096 0.00002 -0.00165 152 3PZ -0.00051 0.00014 0.00127 -0.00067 0.00120 153 4XX -0.00007 -0.00017 0.00014 -0.00003 0.00017 154 4YY 0.00004 0.00001 -0.00002 0.00005 -0.00004 155 4ZZ -0.00002 -0.00003 0.00001 -0.00005 0.00006 156 4XY 0.00001 0.00003 0.00002 -0.00005 -0.00001 157 4XZ 0.00008 -0.00015 -0.00003 -0.00011 0.00017 158 4YZ 0.00002 0.00008 -0.00001 0.00001 0.00001 159 15 C 1S -0.00004 -0.00011 0.00000 -0.00013 0.00002 160 2S 0.00018 0.00126 -0.00055 0.00040 -0.00061 161 2PX 0.00183 -0.00155 0.00050 -0.00269 0.00133 162 2PY -0.00015 -0.00018 0.00025 0.00003 0.00015 163 2PZ -0.00016 -0.00168 0.00059 -0.00094 0.00008 164 3S 0.00034 -0.00145 0.00080 0.00037 0.00217 165 3PX 0.00150 -0.00106 -0.00012 -0.00182 0.00051 166 3PY -0.00035 -0.00060 0.00034 0.00029 0.00048 167 3PZ 0.00067 0.00020 -0.00044 -0.00077 -0.00129 168 4XX 0.00004 -0.00004 0.00009 -0.00007 0.00002 169 4YY 0.00003 0.00006 -0.00003 -0.00002 -0.00009 170 4ZZ 0.00001 0.00005 -0.00014 0.00007 -0.00013 171 4XY -0.00003 -0.00013 -0.00008 0.00003 -0.00005 172 4XZ 0.00002 -0.00009 -0.00003 0.00004 0.00001 173 4YZ 0.00007 -0.00001 -0.00004 -0.00001 0.00001 174 16 H 1S 0.00012 0.00016 -0.00010 -0.00005 0.00007 175 2S 0.00029 0.00056 -0.00003 -0.00015 -0.00010 176 17 H 1S 0.00003 0.00005 0.00015 -0.00001 -0.00004 177 2S -0.00002 -0.00007 0.00003 0.00015 -0.00035 178 18 H 1S 0.00010 0.00013 0.00007 0.00006 -0.00006 179 2S 0.00013 -0.00029 -0.00013 0.00020 -0.00020 180 19 H 1S -0.00040 -0.00038 0.00065 -0.00033 -0.00017 181 2S 0.00027 -0.00064 0.00086 -0.00069 0.00077 182 20 H 1S 0.00063 0.00014 -0.00034 0.00032 -0.00055 183 2S -0.00041 0.00015 -0.00006 -0.00008 -0.00024 184 21 H 1S -0.00052 0.00005 -0.00015 0.00039 -0.00060 185 2S -0.00103 -0.00066 0.00023 0.00027 0.00033 186 22 H 1S 0.00009 0.00004 -0.00016 -0.00004 0.00015 187 2S 0.00034 -0.00022 -0.00071 -0.00016 -0.00001 188 23 H 1S 0.00015 0.00007 -0.00072 0.00045 0.00006 189 2S 0.00023 -0.00001 -0.00189 0.00068 -0.00009 61 62 63 64 65 61 5 H 1S 0.21512 62 2S 0.15897 0.14252 63 6 H 1S -0.00991 -0.00501 0.21512 64 2S -0.00501 -0.00014 0.15897 0.14252 65 7 H 1S 0.00315 0.01186 0.00315 0.01186 0.22403 66 2S 0.00885 0.02651 0.00885 0.02651 0.19017 67 8 O 1S -0.00279 -0.00197 0.01282 0.01379 0.00801 68 2S 0.00880 0.00720 -0.02690 -0.02820 -0.02061 69 2PX 0.02792 0.05716 -0.01029 -0.00388 0.06403 70 2PY -0.02038 -0.04583 -0.02051 -0.02783 0.01287 71 2PZ -0.00863 0.00700 0.05198 0.09370 0.05215 72 3S 0.01003 -0.00120 -0.06288 -0.05496 -0.03252 73 3PX 0.02086 0.04128 0.00199 0.01335 0.05656 74 3PY -0.01409 -0.02974 -0.01345 -0.01587 0.00786 75 3PZ -0.00676 0.00661 0.04014 0.06765 0.04855 76 4XX -0.00019 0.00011 0.00263 0.00065 0.00535 77 4YY 0.00068 0.00223 0.00078 0.00208 -0.00056 78 4ZZ -0.00004 -0.00076 0.00410 0.00237 -0.00300 79 4XY 0.00091 -0.00028 0.00297 0.00282 0.00115 80 4XZ 0.00087 0.00097 -0.00342 -0.00108 0.00171 81 4YZ -0.00058 -0.00074 -0.00327 -0.00477 0.00049 82 9 H 1S -0.00859 -0.02133 -0.00859 -0.02133 -0.04284 83 2S -0.01971 -0.03375 -0.01971 -0.03375 -0.07926 84 10 C 1S -0.00026 -0.00046 -0.00109 -0.00149 -0.00043 85 2S -0.00090 -0.00318 0.00302 0.00769 -0.00223 86 2PX -0.01477 -0.04093 0.02316 0.03343 -0.00288 87 2PY -0.00167 -0.01070 0.00384 0.00294 -0.00129 88 2PZ -0.00642 -0.01043 0.00499 -0.00292 -0.00121 89 3S 0.00977 0.01501 0.00796 0.00757 0.00698 90 3PX -0.01278 -0.03174 0.01781 0.02038 -0.00701 91 3PY -0.00786 -0.01639 0.01074 0.01380 -0.00194 92 3PZ -0.00834 -0.01833 0.00167 0.00013 -0.00765 93 4XX -0.00030 -0.00041 0.00048 0.00043 0.00009 94 4YY -0.00033 -0.00052 0.00024 0.00047 -0.00041 95 4ZZ 0.00053 0.00087 -0.00076 -0.00211 -0.00097 96 4XY -0.00141 -0.00233 0.00114 0.00285 0.00025 97 4XZ 0.00031 0.00077 -0.00097 -0.00166 -0.00031 98 4YZ -0.00024 0.00015 0.00011 -0.00013 -0.00007 99 11 C 1S -0.00232 -0.00405 0.00589 0.00655 0.00153 100 2S 0.00538 0.00722 -0.01361 -0.01226 -0.00249 101 2PX -0.01953 -0.03565 0.02038 0.04792 0.01279 102 2PY -0.00854 -0.01617 0.00124 0.01064 0.00197 103 2PZ -0.01188 -0.03080 0.02040 0.04127 0.00486 104 3S 0.00796 0.00730 -0.02748 -0.03276 -0.01619 105 3PX -0.02138 -0.03645 0.02254 0.04294 0.00530 106 3PY 0.00249 0.00298 0.01069 0.01625 0.01053 107 3PZ -0.01045 -0.02163 0.00693 0.02357 0.00920 108 4XX 0.00033 0.00129 0.00073 -0.00068 0.00061 109 4YY -0.00020 -0.00042 -0.00118 -0.00045 -0.00012 110 4ZZ -0.00034 -0.00109 0.00145 0.00205 -0.00010 111 4XY -0.00021 -0.00013 -0.00043 -0.00066 -0.00014 112 4XZ -0.00086 -0.00196 0.00289 0.00206 -0.00018 113 4YZ -0.00012 -0.00006 -0.00033 -0.00100 -0.00016 114 12 C 1S -0.00055 -0.00210 0.00421 0.00015 -0.00114 115 2S 0.00176 0.00548 -0.00921 -0.00447 0.00218 116 2PX -0.00018 -0.00031 0.01301 -0.00105 -0.00313 117 2PY 0.00125 0.00297 -0.00258 0.00322 -0.00017 118 2PZ 0.00333 0.01127 0.00493 -0.01332 0.00208 119 3S 0.00836 0.02173 -0.02192 -0.01601 0.01395 120 3PX 0.00247 0.00375 0.00374 -0.00226 -0.00033 121 3PY 0.00017 0.00075 -0.00556 0.00098 0.00268 122 3PZ 0.00378 0.00921 0.01039 0.00217 0.00684 123 4XX 0.00117 0.00199 -0.00003 -0.00259 -0.00083 124 4YY -0.00054 -0.00065 0.00008 0.00051 0.00030 125 4ZZ -0.00040 -0.00129 0.00030 0.00254 0.00070 126 4XY -0.00033 0.00003 0.00049 -0.00004 0.00000 127 4XZ -0.00018 -0.00048 0.00093 0.00077 -0.00015 128 4YZ -0.00017 0.00043 0.00025 -0.00041 0.00026 129 13 C 1S 0.00421 0.00015 -0.00055 -0.00210 -0.00114 130 2S -0.00920 -0.00447 0.00176 0.00548 0.00218 131 2PX 0.01301 -0.00105 -0.00018 -0.00031 -0.00313 132 2PY 0.00258 -0.00321 -0.00125 -0.00297 0.00017 133 2PZ 0.00493 -0.01333 0.00333 0.01127 0.00208 134 3S -0.02192 -0.01601 0.00836 0.02173 0.01396 135 3PX 0.00374 -0.00226 0.00247 0.00375 -0.00034 136 3PY 0.00556 -0.00098 -0.00017 -0.00075 -0.00268 137 3PZ 0.01038 0.00217 0.00378 0.00922 0.00684 138 4XX -0.00003 -0.00259 0.00117 0.00199 -0.00083 139 4YY 0.00008 0.00051 -0.00054 -0.00065 0.00030 140 4ZZ 0.00030 0.00254 -0.00040 -0.00129 0.00070 141 4XY -0.00049 0.00004 0.00033 -0.00003 0.00000 142 4XZ 0.00093 0.00077 -0.00018 -0.00048 -0.00015 143 4YZ -0.00025 0.00041 0.00017 -0.00043 -0.00026 144 14 C 1S 0.00589 0.00655 -0.00232 -0.00405 0.00153 145 2S -0.01362 -0.01226 0.00538 0.00722 -0.00249 146 2PX 0.02038 0.04792 -0.01953 -0.03565 0.01279 147 2PY -0.00124 -0.01065 0.00854 0.01617 -0.00197 148 2PZ 0.02040 0.04126 -0.01188 -0.03080 0.00486 149 3S -0.02748 -0.03276 0.00796 0.00730 -0.01619 150 3PX 0.02254 0.04294 -0.02138 -0.03644 0.00530 151 3PY -0.01069 -0.01626 -0.00249 -0.00298 -0.01053 152 3PZ 0.00693 0.02357 -0.01045 -0.02163 0.00920 153 4XX 0.00073 -0.00068 0.00033 0.00129 0.00061 154 4YY -0.00119 -0.00045 -0.00020 -0.00042 -0.00012 155 4ZZ 0.00145 0.00205 -0.00034 -0.00109 -0.00010 156 4XY 0.00043 0.00066 0.00021 0.00013 0.00014 157 4XZ 0.00289 0.00206 -0.00086 -0.00196 -0.00018 158 4YZ 0.00033 0.00100 0.00012 0.00006 0.00016 159 15 C 1S -0.00109 -0.00149 -0.00026 -0.00046 -0.00043 160 2S 0.00302 0.00769 -0.00090 -0.00318 -0.00223 161 2PX 0.02316 0.03343 -0.01477 -0.04093 -0.00288 162 2PY -0.00384 -0.00294 0.00167 0.01070 0.00129 163 2PZ 0.00499 -0.00291 -0.00642 -0.01043 -0.00121 164 3S 0.00796 0.00757 0.00977 0.01501 0.00698 165 3PX 0.01781 0.02038 -0.01278 -0.03174 -0.00701 166 3PY -0.01074 -0.01380 0.00786 0.01640 0.00194 167 3PZ 0.00167 0.00013 -0.00834 -0.01833 -0.00765 168 4XX 0.00048 0.00043 -0.00030 -0.00041 0.00009 169 4YY 0.00024 0.00047 -0.00033 -0.00052 -0.00041 170 4ZZ -0.00076 -0.00211 0.00053 0.00087 -0.00097 171 4XY -0.00114 -0.00285 0.00141 0.00233 -0.00025 172 4XZ -0.00097 -0.00166 0.00031 0.00077 -0.00031 173 4YZ -0.00011 0.00013 0.00024 -0.00015 0.00007 174 16 H 1S 0.00125 0.00406 -0.00203 -0.00887 -0.00125 175 2S 0.00342 0.00957 -0.00328 -0.01223 0.00030 176 17 H 1S -0.00200 -0.00474 -0.00755 -0.00284 -0.00109 177 2S -0.00900 -0.01453 -0.00513 0.00157 -0.00100 178 18 H 1S -0.00222 -0.00825 -0.00266 0.01601 0.00165 179 2S -0.00346 -0.01426 0.01259 0.03128 0.00413 180 19 H 1S -0.00266 0.01601 -0.00222 -0.00825 0.00165 181 2S 0.01259 0.03128 -0.00346 -0.01426 0.00413 182 20 H 1S -0.00755 -0.00284 -0.00200 -0.00474 -0.00109 183 2S -0.00513 0.00157 -0.00900 -0.01453 -0.00100 184 21 H 1S -0.00203 -0.00887 0.00125 0.00406 -0.00125 185 2S -0.00328 -0.01223 0.00342 0.00957 0.00030 186 22 H 1S 0.00274 0.00830 0.00330 -0.00995 -0.00321 187 2S 0.00043 0.00474 0.00436 -0.01571 -0.01108 188 23 H 1S 0.00330 -0.00996 0.00274 0.00830 -0.00321 189 2S 0.00435 -0.01571 0.00043 0.00474 -0.01108 66 67 68 69 70 66 2S 0.21156 67 8 O 1S 0.00100 2.07561 68 2S -0.00591 -0.17780 0.50274 69 2PX 0.12383 0.00636 -0.01603 0.61893 70 2PY 0.03427 -0.03934 0.07420 -0.05184 0.66749 71 2PZ 0.13125 -0.01474 0.02195 0.12922 0.00023 72 3S 0.00354 -0.24634 0.59440 -0.01669 0.21223 73 3PX 0.09829 0.00455 -0.01074 0.37211 -0.06149 74 3PY 0.02122 -0.02576 0.04951 -0.05985 0.42594 75 3PZ 0.10794 -0.01067 0.01634 0.13510 0.00842 76 4XX 0.00406 -0.01619 -0.00080 0.00625 0.00495 77 4YY -0.00325 -0.01262 -0.00841 0.00035 -0.04101 78 4ZZ -0.00390 -0.01277 -0.00781 -0.00492 0.00627 79 4XY -0.00318 -0.00166 0.00377 -0.02715 0.00461 80 4XZ 0.00187 0.00340 -0.00727 -0.00843 0.00122 81 4YZ -0.00198 0.00109 -0.00217 -0.00342 -0.00832 82 9 H 1S -0.08779 0.01123 -0.02517 -0.00185 0.01430 83 2S -0.11043 0.00725 -0.01491 -0.02329 0.03434 84 10 C 1S -0.00064 -0.00016 0.00099 0.00076 -0.00049 85 2S -0.00290 0.00196 -0.00335 -0.01200 0.00001 86 2PX -0.02268 -0.00628 0.01491 0.02456 -0.00756 87 2PY -0.00476 0.00032 -0.00049 -0.00146 -0.00365 88 2PZ -0.01122 -0.00258 0.00319 0.00916 -0.00455 89 3S 0.01046 0.00144 -0.00728 0.02296 -0.00489 90 3PX -0.02740 -0.00170 0.00501 0.00607 -0.01112 91 3PY -0.00599 0.00117 -0.00105 -0.00431 -0.00433 92 3PZ -0.02104 -0.00120 0.00430 -0.01173 -0.00846 93 4XX 0.00027 0.00003 0.00029 0.00189 -0.00082 94 4YY -0.00060 0.00028 -0.00039 -0.00082 -0.00040 95 4ZZ -0.00197 0.00067 -0.00127 -0.00346 -0.00045 96 4XY 0.00113 -0.00019 0.00052 0.00193 -0.00018 97 4XZ -0.00088 0.00018 -0.00032 -0.00084 -0.00034 98 4YZ 0.00011 -0.00005 -0.00006 0.00022 -0.00009 99 11 C 1S 0.00193 -0.00086 0.00268 0.00889 0.00038 100 2S -0.00161 0.00337 -0.00669 -0.01757 0.00094 101 2PX 0.02778 -0.01007 0.02195 0.06629 -0.00085 102 2PY 0.00339 -0.00120 0.00203 0.01290 -0.00425 103 2PZ 0.00985 -0.00238 0.00742 0.02473 -0.00146 104 3S -0.02883 0.00144 0.00391 -0.04868 -0.02110 105 3PX 0.01287 -0.00263 0.00682 0.04552 -0.01180 106 3PY 0.01947 0.00207 -0.00695 0.02805 -0.00719 107 3PZ 0.01837 -0.00641 0.01294 0.03116 0.01288 108 4XX 0.00067 0.00006 -0.00007 0.00328 0.00016 109 4YY 0.00015 0.00031 -0.00072 -0.00077 0.00000 110 4ZZ -0.00040 0.00003 -0.00014 0.00034 -0.00011 111 4XY -0.00043 0.00009 -0.00028 -0.00102 -0.00006 112 4XZ -0.00174 -0.00002 0.00003 0.00068 -0.00041 113 4YZ -0.00049 0.00011 -0.00026 -0.00025 -0.00032 114 12 C 1S -0.00345 0.00044 -0.00137 -0.00296 -0.00165 115 2S 0.00717 -0.00157 0.00300 0.01008 -0.00188 116 2PX -0.01062 0.00371 -0.00679 -0.01532 -0.00018 117 2PY 0.00033 -0.00109 0.00234 0.00093 0.00206 118 2PZ 0.00672 0.00111 -0.00124 -0.00048 0.00205 119 3S 0.03204 -0.00155 -0.00300 0.01343 0.03549 120 3PX -0.00213 0.00042 0.00192 0.00447 -0.01304 121 3PY 0.00669 -0.00367 0.00816 0.01166 0.00111 122 3PZ 0.01308 -0.00071 0.00097 0.01572 0.00289 123 4XX -0.00196 0.00051 -0.00101 -0.00387 -0.00036 124 4YY 0.00080 -0.00008 0.00029 0.00161 -0.00047 125 4ZZ 0.00139 -0.00048 0.00113 0.00363 -0.00057 126 4XY -0.00004 0.00014 -0.00024 -0.00018 0.00002 127 4XZ -0.00051 0.00004 0.00001 -0.00019 -0.00045 128 4YZ 0.00047 -0.00009 0.00023 0.00050 0.00027 129 13 C 1S -0.00345 0.00015 -0.00020 -0.00393 0.00083 130 2S 0.00717 0.00042 -0.00070 0.00729 0.00074 131 2PX -0.01062 -0.00037 0.00066 -0.00858 0.00008 132 2PY -0.00033 -0.00041 0.00025 0.00458 -0.00242 133 2PZ 0.00672 -0.00059 0.00108 0.00520 -0.00214 134 3S 0.03205 -0.00489 0.01225 0.03591 -0.01185 135 3PX -0.00214 0.00124 -0.00373 -0.00295 0.00708 136 3PY -0.00669 -0.00170 0.00436 0.00522 -0.00814 137 3PZ 0.01308 -0.00039 0.00091 0.00687 -0.00425 138 4XX -0.00196 -0.00012 0.00034 -0.00105 -0.00003 139 4YY 0.00080 0.00003 -0.00012 0.00047 0.00019 140 4ZZ 0.00139 0.00011 -0.00034 0.00047 0.00049 141 4XY 0.00004 0.00017 -0.00034 -0.00025 0.00005 142 4XZ -0.00051 0.00006 -0.00013 -0.00064 0.00020 143 4YZ -0.00047 0.00003 0.00002 -0.00013 -0.00009 144 14 C 1S 0.00193 0.00002 -0.00038 -0.00122 0.00050 145 2S -0.00161 -0.00146 0.00284 0.00718 -0.00170 146 2PX 0.02778 0.00291 -0.00860 -0.00222 0.00768 147 2PY -0.00339 -0.00133 0.00304 0.00519 -0.00657 148 2PZ 0.00985 0.00101 -0.00527 -0.00202 0.00397 149 3S -0.02884 0.00457 -0.01157 -0.01282 0.00840 150 3PX 0.01287 0.00208 -0.00614 -0.00675 0.00804 151 3PY -0.01947 0.00260 -0.00614 -0.01518 -0.00076 152 3PZ 0.01837 0.00092 -0.00469 -0.00523 0.00886 153 4XX 0.00067 -0.00012 0.00034 0.00028 -0.00028 154 4YY 0.00015 -0.00012 0.00021 0.00017 0.00052 155 4ZZ -0.00040 -0.00010 0.00019 -0.00013 -0.00023 156 4XY 0.00043 -0.00009 0.00022 0.00113 -0.00053 157 4XZ -0.00174 0.00001 0.00001 -0.00181 -0.00036 158 4YZ 0.00049 -0.00003 -0.00002 0.00051 -0.00004 159 15 C 1S -0.00064 0.00017 0.00030 -0.00062 -0.00034 160 2S -0.00290 -0.00032 -0.00040 -0.00050 0.00148 161 2PX -0.02268 0.00064 -0.00313 -0.02007 -0.00167 162 2PY 0.00476 0.00007 0.00067 0.00058 0.00222 163 2PZ -0.01122 0.00055 -0.00034 -0.01189 0.00108 164 3S 0.01047 -0.00149 0.00641 0.00854 -0.00835 165 3PX -0.02741 0.00036 -0.00155 -0.02170 -0.00126 166 3PY 0.00600 0.00011 0.00106 0.00218 0.00103 167 3PZ -0.02104 0.00205 -0.00568 -0.01803 0.00503 168 4XX 0.00027 0.00009 -0.00030 0.00010 0.00007 169 4YY -0.00060 0.00005 -0.00012 -0.00069 0.00036 170 4ZZ -0.00197 -0.00009 0.00025 -0.00045 -0.00042 171 4XY -0.00113 -0.00039 0.00091 0.00128 -0.00035 172 4XZ -0.00088 0.00001 0.00006 -0.00034 -0.00013 173 4YZ -0.00011 -0.00016 0.00020 0.00087 -0.00017 174 16 H 1S -0.00258 0.00130 -0.00406 -0.00787 -0.00129 175 2S 0.00181 -0.00056 -0.00094 0.00138 0.00569 176 17 H 1S -0.00069 0.00125 -0.00261 -0.00526 -0.00239 177 2S -0.00061 -0.00309 0.00678 -0.00002 0.01304 178 18 H 1S 0.00327 -0.00258 0.00478 0.01275 -0.00189 179 2S 0.00566 -0.00236 0.00441 0.02355 -0.00792 180 19 H 1S 0.00327 0.00093 -0.00183 0.00017 0.00170 181 2S 0.00566 0.00141 -0.00309 -0.00321 0.00048 182 20 H 1S -0.00069 0.00034 -0.00088 -0.00065 0.00349 183 2S -0.00061 0.00124 -0.00302 -0.00816 0.00103 184 21 H 1S -0.00258 -0.00024 0.00104 -0.00036 0.00029 185 2S 0.00181 -0.00051 0.00232 0.00181 -0.00247 186 22 H 1S -0.00781 0.00282 -0.00546 -0.01672 0.00082 187 2S -0.02543 0.00487 -0.01002 -0.04162 0.00279 188 23 H 1S -0.00781 -0.00084 0.00221 -0.00346 -0.00090 189 2S -0.02543 -0.00168 0.00460 -0.01451 -0.00447 71 72 73 74 75 71 2PZ 0.74389 72 3S 0.11212 0.76069 73 3PX 0.14987 -0.01069 0.23557 74 3PY 0.00053 0.13518 -0.05353 0.27449 75 3PZ 0.49384 0.07654 0.12927 0.00435 0.33562 76 4XX 0.00255 -0.00067 0.00334 0.00251 0.00185 77 4YY 0.00096 -0.01783 0.00225 -0.02579 -0.00021 78 4ZZ -0.01860 -0.01080 -0.00471 0.00415 -0.01188 79 4XY -0.00501 0.00352 -0.01606 0.00408 -0.00536 80 4XZ 0.00375 -0.00701 -0.00438 0.00132 0.00179 81 4YZ -0.02954 -0.00677 -0.00422 -0.00517 -0.01899 82 9 H 1S -0.06397 -0.05214 -0.01062 0.00658 -0.05254 83 2S -0.11726 -0.03216 -0.03139 0.02009 -0.08474 84 10 C 1S -0.00063 -0.00251 -0.00044 0.00028 -0.00024 85 2S -0.01549 -0.00867 -0.00850 0.00156 -0.00918 86 2PX 0.01403 0.03775 0.01225 -0.01626 0.00683 87 2PY -0.00533 -0.00003 -0.00192 -0.00301 -0.00427 88 2PZ -0.00171 0.02601 0.00782 -0.01028 -0.00549 89 3S 0.05106 -0.00297 0.01867 -0.00433 0.03327 90 3PX -0.00745 0.01931 -0.00006 -0.01577 -0.00944 91 3PY -0.01534 -0.00177 -0.00417 -0.00375 -0.01007 92 3PZ -0.03940 0.00850 -0.01153 -0.00898 -0.02902 93 4XX 0.00109 0.00056 0.00131 -0.00067 0.00086 94 4YY -0.00148 -0.00028 -0.00044 -0.00032 -0.00085 95 4ZZ -0.00451 -0.00241 -0.00271 -0.00014 -0.00364 96 4XY 0.00238 0.00047 0.00153 0.00013 0.00237 97 4XZ -0.00090 -0.00121 -0.00093 -0.00014 -0.00098 98 4YZ -0.00001 0.00080 0.00048 -0.00010 0.00000 99 11 C 1S 0.00866 0.00061 0.00484 -0.00011 0.00749 100 2S -0.01317 -0.01746 -0.01409 0.00345 -0.00983 101 2PX 0.06209 0.05591 0.05227 -0.00651 0.05298 102 2PY 0.01558 0.00874 0.01129 -0.00475 0.01507 103 2PZ 0.02921 0.00523 0.01699 -0.00072 0.02889 104 3S -0.09211 -0.02042 -0.04105 -0.00960 -0.06528 105 3PX 0.03824 0.02385 0.03457 -0.01157 0.03393 106 3PY 0.05302 -0.00111 0.02403 -0.00613 0.03854 107 3PZ 0.04299 0.02508 0.02365 0.00743 0.03639 108 4XX 0.00251 -0.00019 0.00191 -0.00012 0.00158 109 4YY 0.00015 -0.00078 -0.00033 0.00010 0.00028 110 4ZZ 0.00078 0.00104 0.00043 -0.00035 0.00031 111 4XY -0.00019 -0.00071 -0.00084 0.00010 -0.00031 112 4XZ 0.00164 0.00046 0.00008 -0.00086 0.00070 113 4YZ -0.00033 0.00033 -0.00012 -0.00035 -0.00054 114 12 C 1S 0.00003 -0.00055 -0.00206 -0.00172 -0.00059 115 2S -0.00152 0.01055 0.00959 -0.00105 -0.00081 116 2PX -0.00341 -0.02855 -0.01531 0.00127 -0.00060 117 2PY -0.00211 0.00687 -0.00032 0.00053 -0.00217 118 2PZ 0.00841 -0.01185 -0.00167 0.00238 0.00828 119 3S 0.03275 0.01109 0.01575 0.02545 0.02360 120 3PX -0.00614 -0.01174 -0.00004 -0.00761 -0.00190 121 3PY 0.00409 0.01352 0.00815 0.00039 0.00476 122 3PZ 0.03341 -0.00007 0.01213 0.00169 0.02472 123 4XX -0.00241 -0.00312 -0.00320 -0.00004 -0.00227 124 4YY 0.00108 0.00022 0.00123 -0.00027 0.00116 125 4ZZ 0.00235 0.00269 0.00273 -0.00060 0.00196 126 4XY 0.00008 -0.00112 -0.00027 0.00008 0.00018 127 4XZ -0.00013 -0.00009 -0.00015 -0.00037 -0.00011 128 4YZ 0.00117 0.00005 0.00031 0.00016 0.00101 129 13 C 1S -0.00361 -0.00062 -0.00366 0.00033 -0.00369 130 2S 0.00759 -0.00499 0.00588 0.00159 0.00831 131 2PX -0.00808 0.00697 -0.00780 -0.00074 -0.00906 132 2PY 0.00167 0.00506 0.00547 -0.00191 0.00125 133 2PZ 0.00525 0.00339 0.00518 -0.00125 0.00448 134 3S 0.03074 0.01358 0.02874 -0.00689 0.03049 135 3PX 0.00084 -0.00142 -0.00212 0.00480 -0.00031 136 3PY -0.00402 0.00753 0.00357 -0.00664 -0.00307 137 3PZ 0.00184 0.00147 0.00617 -0.00281 0.00230 138 4XX -0.00118 0.00070 -0.00108 -0.00013 -0.00099 139 4YY 0.00025 -0.00016 0.00051 0.00027 0.00025 140 4ZZ 0.00073 -0.00058 0.00048 0.00030 0.00052 141 4XY 0.00016 -0.00126 -0.00023 0.00013 0.00030 142 4XZ -0.00038 -0.00016 -0.00058 0.00013 -0.00046 143 4YZ -0.00034 -0.00041 -0.00025 -0.00005 -0.00017 144 14 C 1S -0.00102 0.00101 -0.00035 0.00002 -0.00184 145 2S 0.00620 0.00705 0.00720 -0.00141 0.00706 146 2PX 0.00801 -0.01489 0.00157 0.00583 0.00302 147 2PY -0.00389 0.00945 0.00442 -0.00675 -0.00182 148 2PZ 0.00418 0.00560 0.00312 0.00124 -0.00072 149 3S -0.00223 -0.00785 -0.00781 0.00526 -0.00102 150 3PX -0.00040 -0.01129 -0.00337 0.00638 -0.00407 151 3PY -0.01152 -0.00441 -0.01145 -0.00116 -0.00956 152 3PZ 0.00888 0.00202 0.00045 0.00584 0.00421 153 4XX -0.00064 -0.00003 -0.00008 -0.00023 -0.00059 154 4YY 0.00104 0.00004 0.00017 0.00054 0.00085 155 4ZZ -0.00054 0.00037 -0.00021 -0.00038 -0.00068 156 4XY 0.00061 0.00019 0.00088 -0.00043 0.00053 157 4XZ -0.00291 0.00034 -0.00170 -0.00067 -0.00291 158 4YZ 0.00067 0.00034 0.00056 -0.00006 0.00055 159 15 C 1S -0.00118 -0.00277 -0.00096 0.00088 -0.00123 160 2S 0.00070 0.00563 0.00147 -0.00020 0.00051 161 2PX -0.02971 0.00737 -0.01782 -0.00990 -0.03369 162 2PY 0.00332 -0.00387 0.00060 0.00307 0.00486 163 2PZ -0.01574 -0.00662 -0.01389 -0.00115 -0.01600 164 3S -0.01134 0.00588 0.00558 -0.00722 -0.00619 165 3PX -0.03542 0.00152 -0.02051 -0.00686 -0.03489 166 3PY -0.00041 -0.00014 0.00227 0.00142 0.00288 167 3PZ -0.01215 -0.00465 -0.01529 0.00110 -0.01450 168 4XX -0.00015 -0.00071 0.00000 0.00011 -0.00016 169 4YY -0.00069 -0.00058 -0.00055 0.00039 -0.00043 170 4ZZ -0.00152 0.00027 -0.00055 -0.00036 -0.00104 171 4XY 0.00076 0.00184 0.00063 -0.00066 0.00052 172 4XZ -0.00058 0.00001 -0.00044 -0.00009 -0.00047 173 4YZ 0.00064 0.00139 0.00081 -0.00040 0.00035 174 16 H 1S -0.01335 0.00047 -0.00364 -0.00134 -0.01084 175 2S 0.00826 0.00858 0.00378 0.00262 0.00332 176 17 H 1S -0.00185 -0.00517 -0.00311 -0.00103 0.00062 177 2S 0.00161 0.01142 0.00016 0.00824 0.00428 178 18 H 1S 0.00315 0.01925 0.01151 -0.00251 0.00139 179 2S 0.02459 0.01852 0.01923 -0.00760 0.01707 180 19 H 1S 0.00091 -0.00731 -0.00048 0.00153 0.00141 181 2S -0.00475 -0.00846 -0.00270 0.00017 -0.00447 182 20 H 1S 0.00569 -0.00296 -0.00011 0.00390 0.00487 183 2S -0.00003 -0.00582 -0.00565 0.00233 -0.00050 184 21 H 1S -0.00077 -0.00178 -0.00173 0.00055 -0.00012 185 2S -0.00436 -0.00258 -0.00070 -0.00096 -0.00156 186 22 H 1S -0.00972 -0.02004 -0.01460 0.00185 -0.00719 187 2S -0.02838 -0.02791 -0.03393 0.00266 -0.02418 188 23 H 1S -0.00468 0.00626 -0.00396 -0.00110 -0.00449 189 2S -0.02097 0.01140 -0.01388 -0.00490 -0.01876 76 77 78 79 80 76 4XX 0.00074 77 4YY -0.00028 0.00293 78 4ZZ 0.00002 -0.00029 0.00115 79 4XY -0.00009 -0.00013 0.00025 0.00154 80 4XZ -0.00011 0.00005 -0.00011 0.00035 0.00055 81 4YZ -0.00027 0.00043 0.00061 -0.00006 -0.00011 82 9 H 1S 0.00087 0.00015 0.00490 0.00129 -0.00491 83 2S -0.00049 -0.00212 0.00625 0.00065 -0.00411 84 10 C 1S 0.00010 -0.00004 -0.00011 0.00000 -0.00013 85 2S -0.00042 0.00018 0.00126 0.00055 0.00040 86 2PX -0.00075 0.00183 -0.00155 -0.00050 -0.00269 87 2PY -0.00008 0.00015 0.00018 0.00025 -0.00003 88 2PZ -0.00040 -0.00016 -0.00168 -0.00059 -0.00094 89 3S 0.00091 0.00034 -0.00145 -0.00080 0.00037 90 3PX -0.00020 0.00150 -0.00106 0.00012 -0.00182 91 3PY -0.00041 0.00035 0.00060 0.00034 -0.00029 92 3PZ -0.00044 0.00067 0.00020 0.00044 -0.00077 93 4XX -0.00003 0.00004 -0.00004 -0.00009 -0.00007 94 4YY -0.00010 0.00003 0.00006 0.00003 -0.00002 95 4ZZ 0.00012 0.00001 0.00005 0.00014 0.00007 96 4XY -0.00017 0.00003 0.00013 -0.00008 -0.00003 97 4XZ 0.00017 0.00002 -0.00009 0.00003 0.00004 98 4YZ -0.00007 -0.00007 0.00001 -0.00004 0.00001 99 11 C 1S -0.00003 0.00025 0.00030 -0.00038 -0.00027 100 2S 0.00044 0.00059 0.00092 0.00095 0.00084 101 2PX -0.00442 0.00046 0.00040 -0.00295 -0.00236 102 2PY -0.00134 0.00067 -0.00037 -0.00044 -0.00032 103 2PZ -0.00168 0.00094 0.00115 -0.00067 -0.00077 104 3S 0.00033 0.00178 0.00200 0.00204 0.00053 105 3PX -0.00300 0.00115 0.00059 -0.00209 -0.00173 106 3PY -0.00034 0.00060 -0.00102 -0.00096 -0.00002 107 3PZ -0.00159 -0.00051 0.00014 -0.00127 -0.00067 108 4XX 0.00023 -0.00007 -0.00017 -0.00014 -0.00003 109 4YY -0.00008 0.00004 0.00001 0.00002 0.00005 110 4ZZ -0.00007 -0.00002 -0.00003 -0.00001 -0.00005 111 4XY 0.00009 -0.00001 -0.00003 0.00002 0.00005 112 4XZ 0.00016 0.00008 -0.00015 0.00003 -0.00011 113 4YZ 0.00002 -0.00002 -0.00008 -0.00001 -0.00001 114 12 C 1S 0.00012 -0.00010 -0.00034 0.00009 -0.00013 115 2S -0.00090 -0.00042 -0.00011 -0.00065 -0.00010 116 2PX 0.00191 0.00058 0.00008 0.00087 0.00037 117 2PY -0.00015 -0.00020 0.00015 -0.00031 -0.00003 118 2PZ 0.00081 0.00036 0.00070 0.00007 0.00006 119 3S -0.00072 -0.00274 -0.00033 -0.00088 0.00093 120 3PX 0.00083 0.00091 0.00005 -0.00015 -0.00011 121 3PY -0.00053 -0.00032 0.00009 -0.00069 -0.00013 122 3PZ 0.00058 -0.00001 -0.00031 -0.00047 -0.00010 123 4XX 0.00032 0.00003 -0.00004 0.00017 0.00010 124 4YY -0.00008 0.00004 0.00002 -0.00006 -0.00002 125 4ZZ -0.00019 0.00003 -0.00001 -0.00016 -0.00010 126 4XY 0.00006 0.00001 0.00001 0.00001 0.00001 127 4XZ 0.00002 0.00002 -0.00003 0.00001 -0.00002 128 4YZ 0.00002 0.00002 0.00001 -0.00002 -0.00002 129 13 C 1S 0.00027 0.00008 -0.00004 0.00015 0.00001 130 2S -0.00037 0.00010 0.00041 -0.00024 0.00003 131 2PX 0.00026 -0.00004 -0.00041 0.00029 0.00002 132 2PY -0.00051 -0.00005 -0.00037 -0.00001 -0.00013 133 2PZ -0.00048 -0.00014 0.00005 -0.00011 0.00009 134 3S -0.00159 0.00021 0.00074 -0.00152 -0.00053 135 3PX -0.00004 -0.00025 0.00005 0.00010 0.00008 136 3PY -0.00025 0.00046 -0.00043 -0.00002 -0.00030 137 3PZ -0.00035 0.00005 0.00006 -0.00013 0.00008 138 4XX 0.00000 0.00003 0.00003 0.00007 -0.00001 139 4YY -0.00003 -0.00003 0.00000 -0.00004 0.00001 140 4ZZ 0.00005 -0.00003 -0.00004 -0.00004 0.00001 141 4XY 0.00004 0.00002 0.00003 0.00002 0.00001 142 4XZ 0.00004 0.00001 -0.00002 0.00002 0.00001 143 4YZ 0.00003 0.00003 0.00004 0.00001 -0.00001 144 14 C 1S 0.00036 -0.00018 -0.00033 -0.00006 0.00003 145 2S -0.00081 -0.00013 0.00024 -0.00026 -0.00020 146 2PX 0.00128 -0.00076 -0.00126 -0.00034 0.00061 147 2PY -0.00060 -0.00003 0.00029 0.00010 -0.00015 148 2PZ 0.00032 -0.00104 -0.00124 -0.00031 0.00021 149 3S -0.00078 -0.00018 0.00069 0.00056 -0.00010 150 3PX 0.00131 -0.00066 -0.00124 -0.00016 0.00064 151 3PY -0.00004 -0.00002 0.00035 0.00050 0.00005 152 3PZ 0.00027 -0.00119 -0.00071 -0.00023 0.00038 153 4XX 0.00006 0.00002 -0.00001 0.00001 0.00001 154 4YY -0.00001 -0.00001 0.00000 -0.00003 0.00000 155 4ZZ 0.00007 0.00001 -0.00008 0.00002 -0.00001 156 4XY -0.00002 0.00003 -0.00001 -0.00002 -0.00003 157 4XZ 0.00018 0.00004 -0.00017 0.00010 0.00000 158 4YZ -0.00003 -0.00002 0.00001 -0.00002 0.00000 159 15 C 1S 0.00038 0.00014 0.00034 0.00004 0.00003 160 2S -0.00036 -0.00032 -0.00016 -0.00003 -0.00005 161 2PX 0.00242 0.00037 -0.00314 0.00089 -0.00067 162 2PY -0.00028 0.00024 0.00064 -0.00007 0.00015 163 2PZ 0.00143 0.00065 -0.00098 0.00058 -0.00021 164 3S -0.00044 0.00061 -0.00002 -0.00006 -0.00034 165 3PX 0.00213 0.00047 -0.00210 0.00107 -0.00041 166 3PY -0.00082 0.00010 0.00084 -0.00008 -0.00016 167 3PZ 0.00124 0.00001 -0.00107 0.00071 -0.00001 168 4XX 0.00003 0.00001 -0.00001 -0.00001 0.00000 169 4YY 0.00000 0.00000 0.00005 0.00002 0.00001 170 4ZZ -0.00003 0.00003 0.00005 0.00004 -0.00003 171 4XY -0.00005 0.00008 -0.00003 -0.00002 -0.00012 172 4XZ 0.00001 0.00003 0.00001 0.00001 0.00000 173 4YZ -0.00004 -0.00002 -0.00007 -0.00004 -0.00004 174 16 H 1S -0.00012 -0.00052 0.00005 0.00015 0.00039 175 2S 0.00019 -0.00103 -0.00066 -0.00023 0.00027 176 17 H 1S -0.00048 0.00063 0.00014 0.00034 0.00032 177 2S -0.00078 -0.00041 0.00015 0.00006 -0.00008 178 18 H 1S -0.00134 -0.00040 -0.00038 -0.00065 -0.00033 179 2S -0.00120 0.00027 -0.00064 -0.00086 -0.00069 180 19 H 1S 0.00042 0.00010 0.00013 -0.00007 0.00006 181 2S 0.00082 0.00013 -0.00029 0.00013 0.00020 182 20 H 1S -0.00010 0.00003 0.00005 -0.00015 -0.00001 183 2S 0.00025 -0.00002 -0.00007 -0.00003 0.00015 184 21 H 1S 0.00000 0.00012 0.00016 0.00010 -0.00005 185 2S -0.00020 0.00029 0.00056 0.00003 -0.00015 186 22 H 1S 0.00151 0.00015 0.00007 0.00072 0.00045 187 2S 0.00237 0.00023 -0.00001 0.00189 0.00068 188 23 H 1S -0.00013 0.00009 0.00004 0.00016 -0.00004 189 2S 0.00012 0.00034 -0.00022 0.00071 -0.00016 81 82 83 84 85 81 4YZ 0.00156 82 9 H 1S -0.00201 0.22384 83 2S 0.00132 0.16995 0.15548 84 10 C 1S -0.00002 0.00050 0.00031 2.05282 85 2S 0.00061 0.00107 0.00288 -0.06255 0.32755 86 2PX -0.00133 0.00437 -0.01399 -0.00140 0.00252 87 2PY 0.00015 0.00073 0.00267 -0.00096 -0.00036 88 2PZ -0.00007 0.00111 -0.00045 -0.00131 -0.00543 89 3S -0.00217 -0.00792 -0.01359 -0.15830 0.24228 90 3PX -0.00051 0.00602 -0.00451 0.00114 -0.00315 91 3PY 0.00048 0.00032 0.00105 -0.00251 0.01344 92 3PZ 0.00129 0.00599 0.00647 -0.00982 0.03047 93 4XX -0.00002 0.00017 0.00001 -0.01240 -0.01304 94 4YY 0.00009 0.00029 0.00042 -0.01693 -0.00310 95 4ZZ 0.00013 0.00050 0.00117 -0.01781 -0.00166 96 4XY -0.00005 -0.00017 0.00023 0.00134 -0.00254 97 4XZ -0.00001 0.00018 0.00015 0.00350 -0.00743 98 4YZ 0.00001 0.00001 0.00039 -0.00175 0.00281 99 11 C 1S -0.00036 -0.00090 -0.00194 0.01820 -0.03656 100 2S 0.00061 0.00132 0.00386 -0.03387 0.06338 101 2PX -0.00133 -0.00532 -0.01248 0.01248 -0.02889 102 2PY 0.00013 -0.00104 -0.00334 0.03915 -0.07811 103 2PZ -0.00079 -0.00240 -0.00851 -0.06920 0.14401 104 3S 0.00375 0.01209 0.02084 -0.01204 0.03990 105 3PX -0.00076 -0.00158 -0.00651 -0.00123 0.00105 106 3PY -0.00165 -0.00876 -0.01474 0.01123 -0.02913 107 3PZ -0.00120 -0.00402 -0.00778 -0.01450 0.03845 108 4XX -0.00017 -0.00031 -0.00056 0.00275 -0.00570 109 4YY 0.00004 -0.00002 -0.00005 0.00161 -0.00337 110 4ZZ -0.00006 0.00003 -0.00026 -0.00434 0.00759 111 4XY -0.00001 -0.00004 0.00022 -0.00115 0.00233 112 4XZ -0.00017 0.00001 -0.00094 0.00133 -0.00236 113 4YZ 0.00001 0.00002 0.00021 0.00435 -0.00871 114 12 C 1S -0.00005 0.00011 -0.00052 -0.00306 0.00583 115 2S 0.00045 0.00010 0.00168 0.00645 -0.01548 116 2PX -0.00045 0.00003 -0.00244 -0.00664 0.01796 117 2PY 0.00006 0.00019 0.00261 0.00144 -0.00333 118 2PZ -0.00042 -0.00255 -0.00161 0.01299 -0.03365 119 3S -0.00078 -0.00594 -0.00471 0.00807 -0.01543 120 3PX 0.00027 0.00051 -0.00073 -0.00507 0.01254 121 3PY 0.00010 -0.00054 0.00161 0.00350 -0.00783 122 3PZ -0.00133 -0.00587 -0.00809 0.00772 -0.01717 123 4XX 0.00000 0.00010 0.00038 0.00040 -0.00111 124 4YY 0.00001 -0.00005 -0.00008 0.00066 -0.00161 125 4ZZ -0.00003 -0.00019 -0.00058 -0.00193 0.00383 126 4XY -0.00002 -0.00003 -0.00004 -0.00037 0.00095 127 4XZ 0.00000 0.00000 -0.00012 0.00028 -0.00057 128 4YZ -0.00003 -0.00018 -0.00031 0.00043 -0.00131 129 13 C 1S 0.00000 0.00011 -0.00052 -0.00268 0.00519 130 2S -0.00006 0.00010 0.00168 0.00477 -0.00902 131 2PX -0.00011 0.00003 -0.00244 -0.00575 0.00901 132 2PY 0.00004 -0.00019 -0.00261 0.00391 -0.00924 133 2PZ -0.00009 -0.00255 -0.00161 0.00545 -0.01011 134 3S -0.00006 -0.00594 -0.00472 0.01276 -0.02471 135 3PX -0.00024 0.00051 -0.00073 -0.00401 0.00652 136 3PY 0.00008 0.00054 -0.00161 0.00322 -0.00782 137 3PZ 0.00010 -0.00587 -0.00809 0.00300 -0.00542 138 4XX -0.00005 0.00010 0.00038 -0.00003 0.00016 139 4YY 0.00003 -0.00005 -0.00008 -0.00013 0.00028 140 4ZZ 0.00001 -0.00019 -0.00058 -0.00007 -0.00015 141 4XY -0.00001 0.00003 0.00004 -0.00012 0.00054 142 4XZ -0.00001 0.00000 -0.00012 -0.00034 0.00061 143 4YZ -0.00001 0.00018 0.00031 0.00016 -0.00069 144 14 C 1S 0.00003 -0.00090 -0.00194 -0.00341 0.00805 145 2S -0.00005 0.00132 0.00386 0.00799 -0.01931 146 2PX 0.00071 -0.00532 -0.01248 -0.00013 -0.00049 147 2PY -0.00019 0.00104 0.00334 0.01143 -0.02690 148 2PZ 0.00044 -0.00240 -0.00851 0.00945 -0.03038 149 3S -0.00019 0.01209 0.02084 0.00706 -0.01923 150 3PX 0.00054 -0.00158 -0.00651 -0.00155 0.00072 151 3PY 0.00017 0.00876 0.01474 0.00344 -0.00954 152 3PZ 0.00034 -0.00402 -0.00778 0.00614 -0.01691 153 4XX -0.00004 -0.00031 -0.00056 0.00018 -0.00032 154 4YY -0.00001 -0.00002 -0.00005 -0.00185 0.00428 155 4ZZ 0.00000 0.00003 -0.00026 0.00103 -0.00218 156 4XY 0.00000 0.00004 -0.00022 0.00017 -0.00048 157 4XZ 0.00002 0.00001 -0.00094 -0.00043 0.00068 158 4YZ -0.00001 -0.00002 -0.00021 -0.00123 0.00226 159 15 C 1S 0.00007 0.00050 0.00031 0.01657 -0.03200 160 2S 0.00007 0.00107 0.00288 -0.03200 0.05429 161 2PX 0.00048 0.00437 -0.01399 -0.00531 0.00508 162 2PY -0.00010 -0.00073 -0.00267 -0.07761 0.16009 163 2PZ 0.00010 0.00111 -0.00045 -0.00242 0.00891 164 3S 0.00041 -0.00792 -0.01359 -0.00528 0.03319 165 3PX 0.00051 0.00602 -0.00451 -0.00336 0.00532 166 3PY 0.00017 -0.00032 -0.00105 -0.01369 0.04243 167 3PZ -0.00003 0.00599 0.00647 0.00238 -0.01063 168 4XX 0.00001 0.00017 0.00001 0.00227 -0.00499 169 4YY 0.00004 0.00029 0.00042 -0.00698 0.01226 170 4ZZ 0.00001 0.00050 0.00117 0.00297 -0.00672 171 4XY -0.00008 0.00017 -0.00023 0.00005 -0.00010 172 4XZ -0.00002 0.00018 0.00015 -0.00043 0.00120 173 4YZ -0.00002 -0.00001 -0.00039 -0.00025 -0.00026 174 16 H 1S 0.00060 0.00013 0.00523 -0.06047 0.11437 175 2S -0.00033 0.00040 0.00336 -0.01307 0.02613 176 17 H 1S 0.00055 0.00047 0.00051 0.01202 -0.02505 177 2S 0.00024 0.00154 0.00165 0.01331 -0.02557 178 18 H 1S 0.00017 0.00038 0.00003 -0.00765 0.01861 179 2S -0.00077 -0.00304 -0.00685 -0.01117 0.02682 180 19 H 1S 0.00006 0.00038 0.00003 -0.00055 0.00024 181 2S 0.00020 -0.00304 -0.00685 -0.00112 0.00004 182 20 H 1S 0.00004 0.00047 0.00051 -0.00834 0.01854 183 2S 0.00035 0.00154 0.00165 -0.01169 0.02553 184 21 H 1S -0.00007 0.00013 0.00523 0.01228 -0.02561 185 2S 0.00010 0.00040 0.00336 0.01413 -0.02480 186 22 H 1S -0.00006 0.00041 0.00113 0.00146 -0.00211 187 2S 0.00009 0.00366 0.00550 0.00149 -0.00233 188 23 H 1S -0.00015 0.00041 0.00113 -0.00129 0.00194 189 2S 0.00001 0.00366 0.00550 -0.00202 0.00358 86 87 88 89 90 86 2PX 0.35515 87 2PY 0.00139 0.41443 88 2PZ -0.03125 -0.00023 0.40211 89 3S 0.00290 -0.01318 0.04226 0.23665 90 3PX 0.21933 0.01072 0.03527 0.00652 0.14682 91 3PY 0.02696 0.13648 0.00083 -0.00804 0.02135 92 3PZ 0.04210 0.01216 0.12273 0.02201 0.04332 93 4XX 0.00071 0.00285 0.00347 -0.00857 0.00095 94 4YY 0.00128 -0.01322 0.00402 -0.00280 0.00122 95 4ZZ -0.00664 0.01342 -0.00166 0.00017 -0.00369 96 4XY 0.00125 -0.00159 -0.00728 -0.00508 -0.00039 97 4XZ -0.00287 -0.00739 -0.00687 -0.00603 -0.00244 98 4YZ -0.00873 0.00073 0.01435 0.00534 -0.00323 99 11 C 1S -0.01017 -0.03660 0.07343 0.00947 0.00716 100 2S 0.01982 0.07637 -0.14773 0.01598 -0.00750 101 2PX 0.18248 -0.00838 0.12423 -0.01395 0.12104 102 2PY 0.00825 -0.05069 0.15364 -0.09104 0.02348 103 2PZ 0.15744 0.15691 -0.18240 0.06287 0.07217 104 3S 0.00233 0.05280 -0.16228 -0.02058 -0.01949 105 3PX 0.13403 0.00030 0.05752 -0.00534 0.08766 106 3PY 0.01793 -0.00611 0.06278 -0.01666 0.01808 107 3PZ 0.08770 0.07191 -0.04939 0.00407 0.04373 108 4XX -0.00647 -0.00277 0.00709 -0.00163 -0.00328 109 4YY -0.00018 -0.01232 0.00173 -0.00546 -0.00019 110 4ZZ 0.00511 0.00900 0.00395 0.00805 0.00416 111 4XY -0.00459 -0.00024 -0.00387 0.00182 -0.00308 112 4XZ 0.01199 -0.00174 0.00221 -0.00125 0.00835 113 4YZ -0.00393 0.00305 0.00980 -0.00542 -0.00080 114 12 C 1S 0.00800 0.00177 -0.01006 0.00444 0.00641 115 2S -0.01868 -0.00611 0.02653 -0.01030 -0.01376 116 2PX -0.01458 0.00155 -0.04034 -0.01306 -0.02221 117 2PY -0.00706 0.00385 0.00504 0.01033 -0.00644 118 2PZ -0.02312 -0.01220 0.03950 -0.02962 -0.01983 119 3S -0.07166 0.00865 0.03254 0.01325 -0.04951 120 3PX -0.00725 -0.01112 -0.03982 -0.00855 -0.01467 121 3PY -0.01742 0.00438 0.01673 -0.00847 -0.01147 122 3PZ -0.00501 -0.00144 0.02931 -0.00547 -0.00461 123 4XX -0.00869 -0.00081 -0.00240 -0.00076 -0.00586 124 4YY -0.00031 -0.00172 0.00373 -0.00258 0.00026 125 4ZZ 0.00968 0.00408 -0.00456 0.00336 0.00567 126 4XY -0.00075 0.00158 -0.00273 -0.00144 -0.00151 127 4XZ -0.00042 -0.00099 0.00335 -0.00060 0.00016 128 4YZ 0.00132 -0.00070 0.00275 -0.00064 0.00078 129 13 C 1S 0.00449 -0.00369 -0.00385 0.01311 0.00381 130 2S -0.01318 0.00692 0.00530 -0.02268 -0.00986 131 2PX 0.01475 -0.01711 -0.00024 0.06531 0.02460 132 2PY 0.01091 -0.01171 0.02808 -0.01717 0.01252 133 2PZ -0.01766 0.01847 -0.00079 -0.04682 -0.01384 134 3S -0.01194 0.02743 0.02149 -0.06191 -0.01100 135 3PX 0.00232 -0.02113 0.00156 0.03593 0.00871 136 3PY 0.02237 -0.00755 0.02812 -0.01389 0.01969 137 3PZ 0.00005 0.01411 0.00024 -0.02411 -0.00260 138 4XX 0.00104 0.00096 0.00004 -0.00046 0.00163 139 4YY -0.00171 -0.00189 0.00034 0.00085 -0.00143 140 4ZZ 0.00005 0.00125 -0.00056 0.00166 -0.00045 141 4XY -0.00063 -0.00033 -0.00079 -0.00174 -0.00133 142 4XZ 0.00073 -0.00126 0.00051 0.00292 0.00088 143 4YZ -0.00022 -0.00093 0.00099 -0.00025 -0.00013 144 14 C 1S 0.00518 -0.01241 -0.00307 -0.00219 -0.00079 145 2S -0.01249 0.03302 0.00919 -0.01801 -0.00485 146 2PX -0.02109 0.00143 -0.00883 0.00516 -0.02906 147 2PY -0.00683 0.03368 0.00518 -0.08499 0.00005 148 2PZ -0.01522 0.03576 0.01473 0.04251 0.00316 149 3S -0.03007 0.02491 0.04787 -0.00699 -0.00547 150 3PX -0.03301 -0.01268 -0.01350 0.02003 -0.02961 151 3PY -0.01632 -0.00508 0.00176 -0.02323 -0.00540 152 3PZ -0.02828 0.02793 0.01867 0.02045 -0.01332 153 4XX 0.00004 0.00146 0.00054 -0.00182 0.00031 154 4YY -0.00018 -0.00989 -0.00142 0.00641 -0.00066 155 4ZZ 0.00229 0.00349 0.00132 -0.00234 0.00170 156 4XY 0.00264 0.00132 0.00153 -0.00040 0.00147 157 4XZ 0.00707 -0.00076 0.00333 0.00340 0.00530 158 4YZ 0.00037 -0.00717 -0.00061 0.00410 0.00031 159 15 C 1S -0.00531 0.07761 -0.00241 -0.00528 -0.00336 160 2S 0.00509 -0.16009 0.00888 0.03319 0.00532 161 2PX 0.15912 -0.00476 0.06116 0.06256 0.10963 162 2PY 0.00477 -0.31360 0.00713 0.12723 -0.00899 163 2PZ 0.06116 -0.00719 0.03633 -0.01565 0.03494 164 3S 0.06257 -0.12723 -0.01567 -0.00851 0.03448 165 3PX 0.10963 0.00900 0.03495 0.03447 0.07523 166 3PY 0.01074 -0.09233 0.00474 0.01714 0.00230 167 3PZ 0.02032 -0.02059 0.04579 0.00084 0.01982 168 4XX -0.00125 0.00696 0.00063 -0.00356 -0.00082 169 4YY -0.00003 -0.00598 -0.00110 0.01149 -0.00057 170 4ZZ -0.00035 0.01109 -0.00034 -0.00851 0.00037 171 4XY 0.01330 0.00062 -0.00048 -0.00173 0.00840 172 4XZ 0.00055 -0.00204 0.00042 0.00212 0.00081 173 4YZ -0.00001 0.00121 0.01310 0.00433 0.00212 174 16 H 1S -0.10770 0.13131 0.20429 0.11163 -0.03752 175 2S -0.10364 0.11573 0.18744 0.05136 -0.03642 176 17 H 1S 0.00096 -0.03529 0.02659 -0.05395 0.00252 177 2S 0.00976 -0.07177 0.04539 -0.05132 0.00957 178 18 H 1S 0.02816 0.01507 -0.01740 0.02092 0.01982 179 2S 0.07206 0.02255 -0.02834 0.02507 0.04660 180 19 H 1S -0.00220 -0.00239 -0.00167 0.01612 -0.00418 181 2S 0.00425 -0.00404 0.00328 0.02477 0.00014 182 20 H 1S 0.00155 -0.03521 -0.00164 0.05322 -0.00062 183 2S -0.00347 -0.06911 -0.01170 0.05940 -0.00551 184 21 H 1S 0.00303 0.04307 -0.02280 -0.06018 -0.00165 185 2S 0.01688 0.08410 -0.04847 -0.06560 0.00208 186 22 H 1S -0.03905 -0.00246 -0.01315 -0.01502 -0.03447 187 2S -0.03686 0.00133 -0.01425 -0.01375 -0.02833 188 23 H 1S 0.00672 0.00025 -0.00058 0.02356 0.01370 189 2S 0.02594 0.00482 0.00549 0.02297 0.02957 91 92 93 94 95 91 3PY 0.05806 92 3PZ 0.01311 0.05819 93 4XX 0.00047 0.00024 0.00073 94 4YY -0.00303 0.00086 0.00012 0.00115 95 4ZZ 0.00273 -0.00117 0.00023 -0.00055 0.00110 96 4XY 0.00047 -0.00152 0.00013 0.00010 -0.00021 97 4XZ -0.00263 -0.00329 0.00011 0.00029 -0.00017 98 4YZ -0.00013 0.00261 0.00002 -0.00007 0.00015 99 11 C 1S -0.00664 0.00572 0.00197 0.00121 -0.00362 100 2S 0.01372 -0.03328 -0.00391 -0.00333 0.00683 101 2PX 0.00594 0.06024 0.00460 0.00045 -0.00425 102 2PY 0.00955 0.05155 0.00268 0.01327 -0.00905 103 2PZ 0.08829 -0.01033 -0.00488 -0.00352 -0.00331 104 3S 0.00713 -0.03123 -0.00338 -0.00244 0.00650 105 3PX 0.01720 0.03953 0.00206 0.00142 -0.00442 106 3PY 0.00191 0.01564 0.00127 0.00390 -0.00289 107 3PZ 0.04173 0.00714 -0.00047 -0.00120 -0.00262 108 4XX -0.00219 0.00056 0.00031 -0.00012 0.00007 109 4YY -0.00297 0.00071 -0.00004 0.00096 -0.00069 110 4ZZ 0.00397 0.00238 -0.00013 -0.00047 0.00016 111 4XY 0.00027 -0.00168 -0.00014 -0.00005 0.00002 112 4XZ 0.00080 0.00240 0.00008 0.00026 -0.00040 113 4YZ -0.00012 0.00183 0.00041 -0.00008 0.00031 114 12 C 1S 0.00522 -0.00358 -0.00080 0.00084 -0.00123 115 2S -0.00969 0.00673 0.00130 -0.00166 0.00202 116 2PX 0.01513 0.00045 -0.00055 0.00297 -0.00498 117 2PY 0.00586 -0.00697 0.00089 -0.00122 0.00142 118 2PZ -0.03845 0.01133 0.00258 -0.00318 0.00489 119 3S -0.02284 -0.00729 0.00150 -0.00463 0.00426 120 3PX 0.00355 -0.00516 -0.00067 0.00173 -0.00267 121 3PY 0.00722 -0.00016 0.00085 0.00016 0.00012 122 3PZ -0.01771 0.00544 0.00143 -0.00177 0.00201 123 4XX -0.00178 -0.00163 -0.00001 -0.00013 0.00034 124 4YY -0.00013 0.00133 0.00005 0.00035 -0.00027 125 4ZZ 0.00314 -0.00042 -0.00011 -0.00012 -0.00016 126 4XY 0.00105 0.00007 -0.00001 -0.00008 -0.00007 127 4XZ 0.00100 0.00128 0.00005 0.00025 -0.00033 128 4YZ -0.00167 0.00106 0.00009 0.00006 0.00005 129 13 C 1S -0.00348 -0.00236 -0.00035 -0.00016 0.00006 130 2S 0.00517 0.00299 0.00054 0.00029 -0.00012 131 2PX -0.01161 -0.01822 -0.00036 0.00029 -0.00036 132 2PY -0.00780 0.01600 -0.00008 0.00184 -0.00130 133 2PZ 0.02513 0.00413 0.00076 -0.00088 0.00025 134 3S 0.02380 0.01168 0.00171 0.00200 -0.00190 135 3PX -0.01073 -0.01062 -0.00035 0.00052 -0.00053 136 3PY 0.00106 0.01567 0.00006 0.00223 -0.00173 137 3PZ 0.01505 0.00320 0.00046 -0.00037 -0.00022 138 4XX 0.00205 0.00065 0.00006 0.00001 -0.00005 139 4YY -0.00180 0.00018 0.00000 -0.00009 0.00003 140 4ZZ -0.00059 -0.00151 -0.00007 0.00003 0.00008 141 4XY 0.00012 0.00093 -0.00001 0.00007 -0.00016 142 4XZ -0.00124 -0.00014 -0.00001 -0.00004 0.00002 143 4YZ -0.00139 0.00026 0.00005 -0.00002 0.00011 144 14 C 1S -0.00504 0.00764 -0.00014 -0.00100 -0.00001 145 2S 0.01555 -0.00395 0.00036 0.00208 -0.00008 146 2PX -0.01319 -0.01655 -0.00090 -0.00238 0.00204 147 2PY 0.04883 -0.00307 0.00028 0.00428 -0.00059 148 2PZ -0.01167 -0.04323 -0.00088 0.00262 0.00258 149 3S 0.01195 0.00648 0.00071 0.00177 0.00061 150 3PX -0.02142 -0.02113 -0.00118 -0.00133 0.00192 151 3PY 0.00733 -0.00345 -0.00002 0.00120 0.00061 152 3PZ -0.00760 -0.02031 -0.00014 -0.00025 0.00243 153 4XX 0.00178 0.00101 0.00010 -0.00014 0.00001 154 4YY -0.00506 -0.00003 -0.00018 -0.00003 -0.00025 155 4ZZ 0.00134 -0.00003 0.00002 0.00017 0.00009 156 4XY 0.00022 0.00093 0.00005 -0.00007 -0.00001 157 4XZ -0.00078 0.00191 -0.00005 -0.00008 0.00001 158 4YZ -0.00249 -0.00173 -0.00020 0.00038 -0.00028 159 15 C 1S 0.01369 0.00238 0.00227 -0.00698 0.00297 160 2S -0.04242 -0.01064 -0.00499 0.01226 -0.00672 161 2PX -0.01073 0.02032 -0.00125 -0.00003 -0.00035 162 2PY -0.09233 0.02057 -0.00696 0.00598 -0.01109 163 2PZ -0.00476 0.04580 0.00063 -0.00109 -0.00035 164 3S -0.01714 0.00084 -0.00356 0.01149 -0.00851 165 3PX -0.00229 0.01982 -0.00082 -0.00057 0.00037 166 3PY -0.01732 0.01293 -0.00164 0.00273 -0.00483 167 3PZ -0.01294 0.01830 0.00020 0.00085 0.00040 168 4XX 0.00164 0.00020 0.00030 -0.00045 0.00033 169 4YY -0.00273 0.00085 -0.00045 -0.00015 -0.00011 170 4ZZ 0.00483 0.00041 0.00033 -0.00011 0.00033 171 4XY 0.00185 0.00254 0.00007 0.00013 -0.00030 172 4XZ -0.00050 0.00078 0.00002 -0.00013 -0.00007 173 4YZ -0.00016 0.00298 0.00010 0.00006 -0.00003 174 16 H 1S 0.03854 0.06087 -0.00203 -0.00398 0.00568 175 2S 0.02569 0.04161 0.00088 -0.00348 0.00601 176 17 H 1S -0.00018 0.01405 -0.00033 0.00812 -0.00390 177 2S -0.00649 0.02119 0.00003 0.00887 -0.00647 178 18 H 1S 0.02578 -0.00543 -0.00086 0.00025 -0.00164 179 2S 0.03337 -0.00232 -0.00103 0.00042 -0.00286 180 19 H 1S -0.01296 -0.00567 -0.00017 0.00009 0.00061 181 2S -0.01710 -0.00732 -0.00038 -0.00011 0.00099 182 20 H 1S -0.03275 0.00182 -0.00046 -0.00128 -0.00063 183 2S -0.04660 -0.00344 -0.00112 -0.00111 -0.00081 184 21 H 1S 0.01990 0.00236 0.00081 0.00187 0.00086 185 2S 0.03591 0.00210 0.00147 -0.00152 0.00200 186 22 H 1S -0.00226 -0.00080 0.00050 0.00001 -0.00025 187 2S -0.00082 -0.00004 0.00001 0.00008 0.00050 188 23 H 1S 0.00497 -0.00836 0.00027 -0.00023 0.00005 189 2S 0.00938 0.00074 0.00023 -0.00045 0.00039 96 97 98 99 100 96 4XY 0.00077 97 4XZ 0.00002 0.00070 98 4YZ -0.00032 -0.00039 0.00134 99 11 C 1S -0.00128 0.00125 0.00482 2.05493 100 2S 0.00250 -0.00243 -0.00896 -0.06108 0.32600 101 2PX 0.00553 -0.00985 0.00406 0.00137 0.00135 102 2PY 0.00056 0.00317 -0.00230 -0.00186 -0.00372 103 2PZ 0.00434 -0.00244 -0.00890 -0.00409 0.00570 104 3S 0.00289 0.00010 -0.01073 -0.19677 0.28869 105 3PX 0.00489 -0.00561 0.00132 0.00513 -0.00814 106 3PY -0.00013 -0.00002 -0.00060 0.00719 0.00824 107 3PZ 0.00337 -0.00237 -0.00332 0.00797 -0.01693 108 4XX -0.00022 0.00014 0.00052 -0.01165 -0.01268 109 4YY 0.00013 0.00045 -0.00038 -0.01845 0.00165 110 4ZZ -0.00017 -0.00046 0.00038 -0.01376 -0.00746 111 4XY 0.00001 0.00021 0.00005 0.00144 -0.00305 112 4XZ -0.00009 0.00017 -0.00030 0.00268 -0.00572 113 4YZ -0.00014 -0.00007 0.00039 0.00106 -0.00231 114 12 C 1S -0.00009 0.00097 -0.00088 0.01244 -0.02357 115 2S 0.00010 -0.00212 0.00188 -0.02396 0.03949 116 2PX -0.00083 0.00441 -0.00293 0.04790 -0.10349 117 2PY 0.00141 -0.00173 0.00217 -0.02374 0.04947 118 2PZ 0.00066 -0.00494 0.00269 -0.04592 0.09406 119 3S -0.00151 -0.00276 0.00347 0.00574 0.02216 120 3PX 0.00010 0.00257 -0.00249 0.00940 -0.03227 121 3PY 0.00119 -0.00113 0.00223 -0.00508 0.00884 122 3PZ -0.00006 -0.00265 0.00177 -0.00844 0.03021 123 4XX -0.00024 0.00028 0.00002 -0.00124 0.00156 124 4YY 0.00006 0.00006 -0.00004 0.00066 -0.00218 125 4ZZ 0.00026 -0.00023 -0.00020 -0.00153 0.00225 126 4XY -0.00006 0.00010 -0.00004 0.00307 -0.00569 127 4XZ -0.00008 0.00020 0.00006 0.00456 -0.00898 128 4YZ 0.00005 -0.00018 0.00002 -0.00296 0.00534 129 13 C 1S -0.00019 0.00011 0.00014 -0.00188 0.00452 130 2S 0.00042 -0.00015 -0.00067 0.00482 -0.00915 131 2PX 0.00099 -0.00019 0.00117 -0.00233 0.01074 132 2PY -0.00100 0.00036 0.00007 0.01008 -0.02605 133 2PZ 0.00074 -0.00048 -0.00095 0.00332 -0.00980 134 3S 0.00316 -0.00127 -0.00103 -0.00249 -0.01275 135 3PX 0.00054 -0.00016 0.00135 0.00056 0.00525 136 3PY -0.00070 0.00043 0.00022 0.00694 -0.02183 137 3PZ 0.00025 -0.00036 -0.00098 -0.00007 -0.00678 138 4XX 0.00043 -0.00007 0.00011 0.00016 -0.00042 139 4YY -0.00006 0.00001 -0.00010 -0.00049 0.00081 140 4ZZ -0.00040 0.00004 0.00011 -0.00026 0.00065 141 4XY -0.00004 0.00014 -0.00020 0.00116 -0.00266 142 4XZ 0.00000 0.00002 -0.00009 -0.00026 0.00086 143 4YZ 0.00006 -0.00013 0.00019 -0.00106 0.00215 144 14 C 1S 0.00018 0.00027 -0.00211 -0.00459 0.00658 145 2S -0.00030 -0.00062 0.00444 0.00658 -0.01954 146 2PX -0.00905 0.00203 -0.00466 -0.00371 0.00845 147 2PY 0.00091 -0.00086 0.00633 0.01012 -0.02795 148 2PZ -0.00719 -0.00005 0.00605 -0.00313 0.01041 149 3S -0.00034 -0.00094 0.00699 0.02760 -0.02935 150 3PX -0.00702 0.00233 -0.00236 -0.00343 0.00831 151 3PY 0.00063 -0.00008 0.00322 0.01020 -0.00626 152 3PZ -0.00475 -0.00025 0.00245 -0.00252 0.00977 153 4XX 0.00025 -0.00002 -0.00016 -0.00044 -0.00028 154 4YY 0.00002 0.00012 -0.00015 -0.00079 0.00055 155 4ZZ -0.00023 0.00001 -0.00012 -0.00044 -0.00001 156 4XY -0.00017 -0.00005 -0.00015 0.00018 -0.00039 157 4XZ -0.00047 0.00007 -0.00009 -0.00002 -0.00047 158 4YZ -0.00009 0.00005 0.00029 0.00037 -0.00055 159 15 C 1S -0.00005 -0.00043 0.00025 -0.00341 0.00799 160 2S 0.00010 0.00120 0.00026 0.00805 -0.01931 161 2PX -0.01330 0.00055 0.00001 0.00518 -0.01249 162 2PY 0.00061 0.00205 0.00122 0.01241 -0.03302 163 2PZ 0.00048 0.00043 -0.01310 -0.00307 0.00919 164 3S 0.00173 0.00212 -0.00433 -0.00220 -0.01800 165 3PX -0.00840 0.00081 -0.00212 -0.00079 -0.00485 166 3PY 0.00185 0.00050 -0.00016 0.00504 -0.01555 167 3PZ -0.00254 0.00078 -0.00298 0.00764 -0.00396 168 4XX -0.00007 0.00002 -0.00010 -0.00014 0.00036 169 4YY -0.00013 -0.00013 -0.00007 -0.00101 0.00208 170 4ZZ 0.00030 -0.00007 0.00003 -0.00001 -0.00008 171 4XY 0.00034 -0.00017 -0.00044 -0.00018 0.00030 172 4XZ 0.00017 0.00000 0.00026 0.00027 -0.00062 173 4YZ -0.00044 -0.00026 0.00091 0.00211 -0.00444 174 16 H 1S -0.00596 -0.00815 0.01198 0.01303 -0.02811 175 2S -0.00552 -0.00608 0.01152 0.01856 -0.03297 176 17 H 1S 0.00110 0.00251 -0.00540 -0.05974 0.11313 177 2S 0.00127 0.00294 -0.00315 -0.01318 0.02654 178 18 H 1S 0.00075 0.00061 -0.00052 0.00836 -0.01923 179 2S 0.00152 0.00015 -0.00176 0.01324 -0.02578 180 19 H 1S -0.00118 0.00007 0.00062 -0.00412 0.01082 181 2S -0.00307 0.00015 0.00105 -0.00541 0.01200 182 20 H 1S -0.00001 0.00045 -0.00187 -0.00248 0.00754 183 2S -0.00060 0.00118 -0.00241 -0.00361 0.01354 184 21 H 1S 0.00413 0.00003 -0.00776 -0.00745 0.01733 185 2S 0.00450 -0.00047 -0.00806 -0.01207 0.02472 186 22 H 1S -0.00095 0.00152 -0.00018 0.00784 -0.02317 187 2S -0.00209 0.00261 -0.00057 0.01198 -0.02844 188 23 H 1S 0.00205 -0.00071 0.00073 -0.00199 0.00839 189 2S 0.00214 -0.00074 0.00096 -0.00264 0.00790 101 102 103 104 105 101 2PX 0.34895 102 2PY -0.01259 0.41140 103 2PZ -0.03323 -0.01965 0.39185 104 3S -0.04142 0.00160 0.00462 0.29354 105 3PX 0.20156 0.02642 0.03981 -0.03134 0.13458 106 3PY 0.02145 0.13271 -0.01205 -0.00441 0.02086 107 3PZ 0.04362 0.00315 0.16555 -0.02128 0.05105 108 4XX -0.00008 -0.00550 -0.00825 -0.01007 -0.00215 109 4YY -0.00442 0.02175 -0.00237 0.00408 -0.00070 110 4ZZ 0.00382 -0.00996 0.00779 -0.00795 0.00300 111 4XY -0.00713 -0.00233 0.00297 -0.00191 -0.00336 112 4XZ 0.00067 0.00585 0.00628 -0.00466 0.00247 113 4YZ 0.00357 0.00096 -0.01163 -0.00247 0.00016 114 12 C 1S -0.03607 0.02997 0.04416 0.00108 -0.00169 115 2S 0.07421 -0.05500 -0.09016 0.01380 0.01259 116 2PX -0.10582 0.09322 0.15610 -0.06880 -0.04389 117 2PY 0.08843 -0.03184 -0.07089 0.03174 0.03957 118 2PZ 0.13907 -0.08289 -0.13093 0.09340 0.03898 119 3S 0.05716 -0.11777 -0.11983 -0.00960 -0.01345 120 3PX -0.05670 0.04711 0.07740 -0.01393 -0.02374 121 3PY 0.04982 0.00332 -0.03349 0.00117 0.02541 122 3PZ 0.07259 -0.04275 -0.05938 0.02438 0.02247 123 4XX -0.00791 -0.00281 -0.00508 0.00362 -0.00668 124 4YY -0.00160 0.00988 0.00164 -0.00155 0.00045 125 4ZZ 0.00636 -0.00273 0.00848 -0.00028 0.00567 126 4XY -0.00321 -0.00243 0.00650 -0.00384 -0.00178 127 4XZ -0.00380 0.00623 0.00419 -0.00794 -0.00103 128 4YZ 0.00633 0.00254 -0.00393 0.00518 0.00284 129 13 C 1S 0.00258 -0.00947 -0.00507 0.00063 0.00005 130 2S -0.01152 0.01815 0.01179 -0.00690 -0.00391 131 2PX 0.01516 -0.00543 -0.01074 -0.01494 0.01466 132 2PY -0.02638 0.03533 0.01528 -0.02630 -0.01499 133 2PZ -0.00895 0.00623 0.01170 -0.01130 -0.00689 134 3S 0.02496 0.07999 0.03944 -0.00945 0.02905 135 3PX 0.01174 -0.00078 -0.01384 -0.01044 0.00962 136 3PY -0.01114 0.05357 0.01823 -0.01954 -0.00004 137 3PZ -0.00008 0.00806 0.01470 -0.00764 -0.00018 138 4XX 0.00365 0.00128 0.00196 -0.00068 0.00402 139 4YY -0.00065 -0.00189 -0.00247 0.00049 -0.00173 140 4ZZ -0.00200 -0.00081 -0.00116 0.00034 -0.00215 141 4XY -0.00330 0.00360 0.00442 -0.00074 -0.00167 142 4XZ 0.00015 -0.00083 -0.00124 0.00067 0.00003 143 4YZ 0.00485 -0.00279 -0.00362 0.00239 0.00205 144 14 C 1S -0.00371 -0.01012 -0.00313 0.02760 -0.00343 145 2S 0.00845 0.02795 0.01042 -0.02935 0.00831 146 2PX -0.10394 -0.02503 -0.03147 0.01388 -0.09451 147 2PY 0.02503 0.03608 0.01684 -0.03316 0.02861 148 2PZ -0.03147 -0.01682 -0.05691 -0.02657 -0.04064 149 3S 0.01388 0.03316 -0.02656 -0.04354 0.01187 150 3PX -0.09452 -0.02860 -0.04064 0.01187 -0.08214 151 3PY 0.00784 -0.01048 -0.02201 -0.00696 0.00689 152 3PZ -0.02867 -0.01663 -0.04662 -0.00803 -0.03537 153 4XX 0.00117 0.00089 0.00130 0.00016 0.00162 154 4YY -0.00141 -0.00117 -0.00177 0.00058 -0.00113 155 4ZZ -0.00073 0.00036 0.00002 0.00039 -0.00100 156 4XY 0.00017 0.00082 0.00109 -0.00049 -0.00039 157 4XZ -0.00135 0.00009 -0.00096 -0.00045 -0.00136 158 4YZ 0.00099 0.00066 -0.00217 -0.00199 0.00057 159 15 C 1S -0.00013 -0.01144 0.00945 0.00706 -0.00155 160 2S -0.00050 0.02691 -0.03038 -0.01922 0.00072 161 2PX -0.02109 0.00683 -0.01521 -0.03006 -0.03301 162 2PY -0.00143 0.03368 -0.03576 -0.02492 0.01268 163 2PZ -0.00883 -0.00518 0.01473 0.04787 -0.01350 164 3S 0.00516 0.08499 0.04253 -0.00698 0.02003 165 3PX -0.02906 -0.00005 0.00316 -0.00547 -0.02960 166 3PY 0.01320 0.04884 0.01169 -0.01195 0.02142 167 3PZ -0.01655 0.00308 -0.04323 0.00647 -0.02113 168 4XX -0.00090 -0.00028 -0.00089 0.00071 -0.00118 169 4YY -0.00238 -0.00429 0.00262 0.00177 -0.00133 170 4ZZ 0.00204 0.00059 0.00258 0.00061 0.00192 171 4XY 0.00905 0.00091 0.00719 0.00034 0.00702 172 4XZ 0.00203 0.00086 -0.00004 -0.00094 0.00233 173 4YZ 0.00466 0.00633 -0.00605 -0.00699 0.00236 174 16 H 1S 0.00994 0.00382 -0.04387 -0.05137 -0.00537 175 2S 0.02491 -0.00036 -0.09600 -0.05570 -0.00627 176 17 H 1S -0.03569 0.26354 -0.01519 0.11156 -0.00248 177 2S -0.02584 0.24292 0.00124 0.03260 0.00815 178 18 H 1S -0.00782 0.00216 0.03479 -0.03973 0.00861 179 2S 0.00586 0.01064 0.08286 -0.04434 0.02828 180 19 H 1S 0.00465 -0.01090 -0.01587 0.01434 -0.00148 181 2S 0.00031 -0.02098 -0.02861 0.01288 -0.01138 182 20 H 1S -0.00732 -0.00905 -0.00837 0.00683 -0.00885 183 2S -0.02064 -0.02462 -0.02720 0.01579 -0.02052 184 21 H 1S 0.00072 -0.01537 0.03355 0.03976 0.00069 185 2S 0.00395 -0.03066 0.06994 0.04600 0.00681 186 22 H 1S -0.02370 0.00466 0.01467 -0.01004 -0.02696 187 2S -0.06285 0.00792 0.01757 -0.00441 -0.04470 188 23 H 1S 0.02437 -0.00437 -0.00381 -0.00715 0.02215 189 2S 0.03233 -0.01229 -0.00476 -0.00385 0.02883 106 107 108 109 110 106 3PY 0.05435 107 3PZ 0.00138 0.08688 108 4XX -0.00209 -0.00293 0.00127 109 4YY 0.00642 -0.00124 -0.00040 0.00185 110 4ZZ -0.00273 0.00383 0.00022 -0.00083 0.00134 111 4XY -0.00167 -0.00001 0.00012 -0.00016 0.00014 112 4XZ 0.00207 0.00273 -0.00009 0.00034 0.00007 113 4YZ 0.00083 -0.00367 0.00033 -0.00008 -0.00006 114 12 C 1S 0.00483 0.00524 -0.00217 0.00156 -0.00143 115 2S -0.01501 -0.01805 0.00325 -0.00345 0.00169 116 2PX 0.00852 0.05917 0.00835 0.00282 -0.00375 117 2PY -0.01131 -0.02974 0.00373 -0.00944 0.00316 118 2PZ -0.01734 -0.04187 0.00582 -0.00290 -0.00993 119 3S -0.02718 -0.03146 0.00542 -0.00724 0.00263 120 3PX 0.00357 0.02816 0.00302 0.00228 -0.00258 121 3PY -0.00174 -0.00868 0.00205 -0.00365 0.00115 122 3PZ -0.00470 -0.01695 0.00314 -0.00214 -0.00367 123 4XX -0.00209 -0.00403 0.00072 -0.00025 -0.00050 124 4YY 0.00350 0.00121 -0.00030 0.00084 -0.00035 125 4ZZ -0.00006 0.00431 -0.00057 -0.00041 0.00080 126 4XY -0.00226 0.00329 0.00043 -0.00024 0.00003 127 4XZ 0.00120 0.00202 0.00031 0.00014 0.00018 128 4YZ 0.00179 -0.00106 0.00007 0.00018 -0.00051 129 13 C 1S -0.00297 -0.00497 0.00045 -0.00142 0.00046 130 2S 0.00873 0.00965 -0.00095 0.00319 -0.00115 131 2PX 0.02170 -0.02705 0.00047 -0.00069 0.00134 132 2PY 0.01261 0.01784 -0.00243 0.00808 -0.00239 133 2PZ -0.01256 0.01018 -0.00109 0.00084 -0.00022 134 3S 0.02681 0.03637 -0.00264 0.00575 -0.00201 135 3PX 0.01197 -0.01674 -0.00002 0.00022 0.00031 136 3PY 0.01613 0.01327 -0.00159 0.00556 -0.00155 137 3PZ -0.00303 0.01048 -0.00061 0.00032 0.00032 138 4XX 0.00000 0.00058 -0.00003 -0.00010 0.00014 139 4YY -0.00037 -0.00042 0.00006 0.00009 -0.00005 140 4ZZ 0.00033 -0.00125 0.00010 -0.00023 0.00001 141 4XY -0.00002 0.00246 0.00019 0.00016 -0.00019 142 4XZ 0.00076 -0.00127 0.00006 -0.00006 0.00004 143 4YZ -0.00053 -0.00114 0.00022 -0.00012 -0.00025 144 14 C 1S -0.01020 -0.00253 -0.00044 -0.00079 -0.00044 145 2S 0.00626 0.00977 -0.00028 0.00055 -0.00001 146 2PX -0.00785 -0.02867 0.00117 -0.00141 -0.00073 147 2PY -0.01048 0.01664 -0.00089 0.00117 -0.00036 148 2PZ 0.02201 -0.04661 0.00130 -0.00177 0.00002 149 3S 0.00697 -0.00803 0.00016 0.00058 0.00039 150 3PX -0.00690 -0.03537 0.00162 -0.00113 -0.00100 151 3PY -0.01224 -0.00961 0.00008 -0.00026 -0.00042 152 3PZ 0.00961 -0.03040 0.00069 -0.00130 0.00006 153 4XX -0.00008 0.00069 0.00004 -0.00005 0.00011 154 4YY 0.00026 -0.00130 -0.00005 0.00037 -0.00018 155 4ZZ 0.00042 0.00006 0.00011 -0.00018 0.00007 156 4XY 0.00061 0.00089 -0.00008 0.00010 0.00000 157 4XZ 0.00046 -0.00148 0.00005 0.00001 0.00011 158 4YZ 0.00084 -0.00190 0.00002 0.00011 -0.00007 159 15 C 1S -0.00344 0.00614 0.00018 -0.00185 0.00103 160 2S 0.00954 -0.01691 -0.00032 0.00428 -0.00218 161 2PX 0.01632 -0.02828 0.00004 -0.00018 0.00229 162 2PY -0.00508 -0.02794 -0.00146 0.00989 -0.00349 163 2PZ -0.00177 0.01867 0.00054 -0.00142 0.00131 164 3S 0.02323 0.02045 -0.00182 0.00642 -0.00234 165 3PX 0.00540 -0.01332 0.00031 -0.00066 0.00170 166 3PY 0.00733 0.00761 -0.00178 0.00506 -0.00134 167 3PZ 0.00345 -0.02031 0.00101 -0.00003 -0.00003 168 4XX 0.00002 -0.00014 0.00010 -0.00018 0.00002 169 4YY -0.00120 -0.00025 -0.00014 -0.00003 0.00017 170 4ZZ -0.00061 0.00243 0.00001 -0.00025 0.00009 171 4XY 0.00063 0.00475 -0.00025 -0.00002 0.00023 172 4XZ 0.00008 -0.00025 -0.00002 0.00012 0.00001 173 4YZ 0.00322 -0.00245 0.00016 0.00015 0.00012 174 16 H 1S 0.00707 -0.01815 0.00274 -0.00556 0.00659 175 2S 0.00968 -0.03605 0.00426 -0.00527 0.00408 176 17 H 1S 0.08502 -0.01080 -0.00811 0.01662 -0.01016 177 2S 0.07297 0.00334 -0.00547 0.01575 -0.00812 178 18 H 1S -0.00045 0.01726 -0.00315 -0.00269 0.00875 179 2S 0.00503 0.03715 -0.00459 -0.00207 0.00871 180 19 H 1S 0.00439 -0.00934 0.00148 -0.00152 -0.00049 181 2S 0.00184 -0.01853 0.00239 -0.00248 -0.00056 182 20 H 1S 0.00887 -0.00707 0.00003 0.00087 -0.00035 183 2S 0.00300 -0.01990 0.00000 0.00156 -0.00131 184 21 H 1S -0.00619 0.02891 -0.00008 -0.00253 0.00052 185 2S -0.01435 0.04555 -0.00094 -0.00367 0.00154 186 22 H 1S -0.01210 0.00690 0.00852 -0.00239 -0.00292 187 2S -0.01397 -0.00203 0.00744 -0.00166 -0.00322 188 23 H 1S 0.00996 -0.01260 -0.00032 -0.00102 0.00150 189 2S 0.00251 -0.01210 -0.00043 -0.00202 0.00252 111 112 113 114 115 111 4XY 0.00038 112 4XZ -0.00002 0.00090 113 4YZ -0.00024 -0.00012 0.00071 114 12 C 1S 0.00238 0.00437 -0.00280 2.05093 115 2S -0.00462 -0.00809 0.00538 -0.05356 0.30675 116 2PX 0.00337 0.00315 -0.00632 -0.00216 0.00247 117 2PY 0.00344 -0.00565 -0.00256 -0.00197 0.00049 118 2PZ -0.00553 -0.00345 0.00441 0.00106 -0.00015 119 3S -0.00421 -0.01029 0.00641 -0.18822 0.28344 120 3PX 0.00160 0.00109 -0.00361 0.00084 0.00408 121 3PY 0.00156 -0.00311 -0.00078 0.00045 0.00297 122 3PZ -0.00259 -0.00117 0.00221 0.00065 -0.00479 123 4XX 0.00023 -0.00024 -0.00007 -0.01716 -0.00165 124 4YY -0.00017 0.00032 0.00012 -0.01550 -0.00526 125 4ZZ 0.00011 0.00005 -0.00032 -0.01720 -0.00155 126 4XY 0.00014 0.00001 -0.00019 -0.00095 0.00184 127 4XZ 0.00017 0.00018 -0.00010 -0.00087 0.00221 128 4YZ -0.00025 0.00001 0.00011 0.00108 -0.00202 129 13 C 1S 0.00079 -0.00011 -0.00080 0.01005 -0.01959 130 2S -0.00142 0.00021 0.00154 -0.01959 0.03093 131 2PX 0.00048 0.00108 -0.00075 0.00333 -0.00748 132 2PY -0.00547 0.00207 0.00493 -0.06220 0.12851 133 2PZ -0.00059 -0.00078 0.00059 -0.00195 0.00418 134 3S -0.00198 0.00035 0.00156 0.00743 0.01044 135 3PX 0.00015 0.00028 -0.00036 0.00123 -0.00547 136 3PY -0.00250 0.00257 0.00195 -0.01339 0.04076 137 3PZ -0.00042 -0.00025 0.00007 -0.00141 0.00469 138 4XX 0.00020 0.00013 -0.00011 0.00213 -0.00499 139 4YY -0.00026 -0.00024 0.00023 -0.00691 0.01194 140 4ZZ 0.00012 -0.00004 -0.00014 0.00191 -0.00471 141 4XY 0.00005 0.00006 -0.00017 -0.00027 0.00034 142 4XZ 0.00001 0.00006 -0.00001 0.00003 -0.00021 143 4YZ -0.00011 -0.00007 0.00011 0.00016 -0.00014 144 14 C 1S -0.00018 -0.00002 -0.00037 -0.00188 0.00482 145 2S 0.00039 -0.00047 0.00055 0.00452 -0.00915 146 2PX -0.00017 -0.00135 -0.00099 0.00258 -0.01152 147 2PY 0.00082 -0.00009 0.00066 0.00948 -0.01815 148 2PZ -0.00109 -0.00096 0.00217 -0.00507 0.01179 149 3S 0.00050 -0.00045 0.00199 0.00063 -0.00690 150 3PX 0.00039 -0.00136 -0.00057 0.00005 -0.00391 151 3PY 0.00061 -0.00046 0.00084 0.00297 -0.00873 152 3PZ -0.00089 -0.00148 0.00190 -0.00497 0.00965 153 4XX 0.00008 0.00005 -0.00002 0.00045 -0.00095 154 4YY -0.00010 0.00001 -0.00011 -0.00142 0.00319 155 4ZZ 0.00000 0.00011 0.00007 0.00046 -0.00115 156 4XY -0.00018 0.00011 0.00008 -0.00079 0.00142 157 4XZ -0.00011 0.00039 0.00003 -0.00011 0.00021 158 4YZ 0.00008 -0.00003 -0.00021 0.00080 -0.00154 159 15 C 1S -0.00017 -0.00043 0.00123 -0.00268 0.00477 160 2S 0.00048 0.00068 -0.00226 0.00518 -0.00902 161 2PX -0.00265 0.00707 -0.00037 0.00449 -0.01318 162 2PY 0.00132 0.00076 -0.00717 0.00369 -0.00692 163 2PZ -0.00153 0.00333 0.00061 -0.00385 0.00530 164 3S 0.00039 0.00340 -0.00410 0.01311 -0.02268 165 3PX -0.00147 0.00530 -0.00031 0.00380 -0.00986 166 3PY 0.00021 0.00078 -0.00249 0.00348 -0.00517 167 3PZ -0.00093 0.00191 0.00173 -0.00236 0.00299 168 4XX -0.00005 -0.00005 0.00019 -0.00035 0.00054 169 4YY 0.00007 -0.00008 -0.00038 -0.00016 0.00029 170 4ZZ 0.00001 0.00001 0.00028 0.00006 -0.00012 171 4XY -0.00017 0.00047 -0.00009 0.00019 -0.00042 172 4XZ 0.00005 0.00007 -0.00005 0.00011 -0.00015 173 4YZ -0.00015 0.00009 0.00029 -0.00014 0.00067 174 16 H 1S -0.00010 -0.00402 0.00406 -0.00724 0.01592 175 2S -0.00095 -0.00382 0.00629 -0.00969 0.02215 176 17 H 1S -0.00237 0.00185 -0.00063 0.01192 -0.02350 177 2S -0.00162 0.00344 -0.00082 0.01495 -0.02651 178 18 H 1S 0.00196 -0.00197 -0.00112 -0.05232 0.10153 179 2S 0.00230 0.00141 -0.00287 -0.00563 0.02059 180 19 H 1S 0.00075 -0.00039 -0.00062 0.00750 -0.01927 181 2S 0.00054 -0.00038 -0.00067 0.00827 -0.01896 182 20 H 1S -0.00061 0.00011 -0.00036 -0.00735 0.01455 183 2S -0.00078 -0.00002 -0.00046 -0.00920 0.01851 184 21 H 1S -0.00010 0.00007 0.00104 -0.00076 0.00121 185 2S -0.00001 0.00002 0.00036 -0.00031 0.00002 186 22 H 1S 0.00078 -0.00298 -0.00156 -0.05287 0.10266 187 2S 0.00206 -0.00037 -0.00201 -0.00681 0.02188 188 23 H 1S 0.00086 0.00039 -0.00054 0.00849 -0.02092 189 2S 0.00114 0.00120 -0.00035 0.01082 -0.02314 116 117 118 119 120 116 2PX 0.39946 117 2PY 0.00273 0.38112 118 2PZ 0.00826 -0.00398 0.40015 119 3S -0.02739 -0.00449 0.02951 0.31661 120 3PX 0.18488 0.00135 -0.00023 -0.01343 0.08894 121 3PY 0.00883 0.17478 -0.00087 -0.00454 0.00399 122 3PZ -0.00273 -0.00166 0.17903 0.01442 -0.00470 123 4XX 0.01424 0.00838 0.01103 0.00061 0.00655 124 4YY -0.00118 -0.01525 0.00028 -0.00513 -0.00060 125 4ZZ -0.00941 0.01006 -0.01441 -0.00144 -0.00411 126 4XY 0.01373 0.00048 0.00100 0.00145 0.00648 127 4XZ 0.01148 0.00052 -0.00893 0.00055 0.00512 128 4YZ 0.00121 -0.00053 0.01458 -0.00172 0.00046 129 13 C 1S 0.00332 0.06220 -0.00194 0.00743 0.00123 130 2S -0.00746 -0.12851 0.00417 0.01044 -0.00546 131 2PX 0.00232 0.00262 -0.00518 -0.00700 -0.00955 132 2PY -0.00258 -0.31517 -0.00036 0.12405 0.00031 133 2PZ -0.00518 0.00033 0.00448 0.00173 0.00000 134 3S -0.00698 -0.12405 0.00172 -0.02346 -0.00318 135 3PX -0.00955 -0.00029 0.00001 -0.00318 -0.00936 136 3PY 0.01500 -0.14739 -0.00994 0.02728 0.00758 137 3PZ 0.00256 0.00427 -0.00656 0.00286 0.00269 138 4XX -0.00014 0.00739 -0.00084 -0.00733 -0.00053 139 4YY 0.00050 -0.00832 -0.00006 0.01334 0.00060 140 4ZZ 0.00083 0.00779 -0.00005 -0.00345 0.00042 141 4XY 0.01106 -0.00012 0.00061 0.00013 0.00558 142 4XZ -0.00040 -0.00087 0.00033 0.00019 -0.00054 143 4YZ 0.00058 -0.00013 0.01102 -0.00030 0.00002 144 14 C 1S -0.00233 -0.01008 0.00332 -0.00249 0.00056 145 2S 0.01074 0.02606 -0.00979 -0.01275 0.00525 146 2PX 0.01516 0.02638 -0.00895 0.02496 0.01175 147 2PY 0.00543 0.03534 -0.00623 -0.07999 0.00077 148 2PZ -0.01074 -0.01527 0.01169 0.03943 -0.01384 149 3S -0.01494 0.02630 -0.01128 -0.00945 -0.01044 150 3PX 0.01466 0.01499 -0.00689 0.02905 0.00963 151 3PY -0.02169 0.01261 0.01256 -0.02681 -0.01197 152 3PZ -0.02705 -0.01784 0.01018 0.03637 -0.01673 153 4XX 0.00047 0.00244 -0.00109 -0.00265 -0.00002 154 4YY -0.00069 -0.00808 0.00084 0.00575 0.00023 155 4ZZ 0.00134 0.00239 -0.00022 -0.00201 0.00032 156 4XY -0.00048 -0.00547 0.00059 0.00197 -0.00015 157 4XZ 0.00108 -0.00207 -0.00078 0.00035 0.00028 158 4YZ 0.00075 0.00493 -0.00059 -0.00156 0.00036 159 15 C 1S -0.00575 -0.00391 0.00545 0.01276 -0.00401 160 2S 0.00900 0.00924 -0.01011 -0.02471 0.00652 161 2PX 0.01475 -0.01091 -0.01766 -0.01194 0.00232 162 2PY 0.01711 -0.01170 -0.01848 -0.02744 0.02113 163 2PZ -0.00024 -0.02809 -0.00080 0.02148 0.00157 164 3S 0.06530 0.01719 -0.04682 -0.06191 0.03593 165 3PX 0.02460 -0.01252 -0.01384 -0.01100 0.00871 166 3PY 0.01161 -0.00779 -0.02514 -0.02380 0.01073 167 3PZ -0.01822 -0.01601 0.00412 0.01167 -0.01061 168 4XX -0.00036 0.00008 0.00076 0.00171 -0.00035 169 4YY 0.00029 -0.00184 -0.00088 0.00200 0.00052 170 4ZZ -0.00036 0.00130 0.00025 -0.00190 -0.00053 171 4XY -0.00099 -0.00100 -0.00074 -0.00316 -0.00054 172 4XZ -0.00019 -0.00036 -0.00048 -0.00127 -0.00016 173 4YZ -0.00117 0.00007 0.00095 0.00103 -0.00135 174 16 H 1S -0.02366 0.01141 0.02600 0.04112 -0.02444 175 2S -0.04596 0.01667 0.05317 0.05161 -0.03546 176 17 H 1S 0.02591 -0.03151 -0.02255 -0.07034 0.02243 177 2S 0.05281 -0.05872 -0.04427 -0.07135 0.03188 178 18 H 1S -0.05699 0.09046 -0.24609 0.07881 -0.02311 179 2S -0.05729 0.07747 -0.22660 -0.00345 -0.02449 180 19 H 1S 0.00768 0.02963 0.02138 -0.02029 0.00205 181 2S 0.02006 0.05420 0.03578 -0.01040 0.00786 182 20 H 1S -0.00327 -0.03619 0.00279 0.04866 0.00062 183 2S -0.01492 -0.05935 0.01379 0.05329 -0.00390 184 21 H 1S -0.00236 -0.00106 0.00145 0.00394 -0.00101 185 2S 0.00181 -0.00123 -0.00429 0.00086 0.00221 186 22 H 1S 0.24468 0.08049 0.06953 0.08698 0.11387 187 2S 0.21796 0.06588 0.06412 0.00976 0.09997 188 23 H 1S -0.02233 0.02680 -0.00813 -0.03329 -0.01771 189 2S -0.03250 0.05106 -0.01879 -0.03855 -0.02212 121 122 123 124 125 121 3PY 0.08740 122 3PZ -0.00054 0.08364 123 4XX 0.00340 0.00441 0.00161 124 4YY -0.00599 0.00025 -0.00038 0.00123 125 4ZZ 0.00421 -0.00604 -0.00066 -0.00029 0.00156 126 4XY 0.00089 0.00022 0.00053 -0.00020 -0.00031 127 4XZ 0.00077 -0.00403 0.00012 -0.00003 -0.00001 128 4YZ -0.00034 0.00671 0.00036 0.00016 -0.00052 129 13 C 1S 0.01339 -0.00141 0.00213 -0.00691 0.00191 130 2S -0.04076 0.00468 -0.00499 0.01194 -0.00471 131 2PX -0.01498 0.00256 -0.00014 0.00050 0.00084 132 2PY -0.14739 -0.00428 -0.00739 0.00832 -0.00779 133 2PZ 0.00993 -0.00656 -0.00084 -0.00005 -0.00005 134 3S -0.02728 0.00286 -0.00733 0.01334 -0.00345 135 3PX -0.00757 0.00270 -0.00053 0.00060 0.00042 136 3PY -0.06679 -0.00691 -0.00364 0.00464 -0.00364 137 3PZ 0.00691 -0.00628 -0.00072 -0.00028 0.00062 138 4XX 0.00364 -0.00072 0.00003 -0.00009 0.00031 139 4YY -0.00464 -0.00028 -0.00009 -0.00007 -0.00023 140 4ZZ 0.00364 0.00062 0.00031 -0.00023 0.00014 141 4XY 0.00026 -0.00008 0.00041 -0.00008 -0.00029 142 4XZ -0.00122 0.00054 0.00002 0.00008 -0.00004 143 4YZ 0.00018 0.00516 0.00030 0.00007 -0.00041 144 14 C 1S -0.00694 -0.00008 0.00016 -0.00049 -0.00026 145 2S 0.02183 -0.00677 -0.00042 0.00081 0.00065 146 2PX 0.01114 -0.00008 0.00365 -0.00065 -0.00200 147 2PY 0.05358 -0.00806 -0.00128 0.00189 0.00081 148 2PZ -0.01822 0.01469 0.00196 -0.00247 -0.00116 149 3S 0.01954 -0.00763 -0.00068 0.00049 0.00034 150 3PX 0.00004 -0.00019 0.00402 -0.00173 -0.00215 151 3PY 0.01613 0.00304 0.00000 0.00037 -0.00033 152 3PZ -0.01327 0.01047 0.00058 -0.00042 -0.00125 153 4XX 0.00159 -0.00061 -0.00003 0.00006 0.00010 154 4YY -0.00556 0.00032 -0.00010 0.00009 -0.00023 155 4ZZ 0.00155 0.00032 0.00014 -0.00005 0.00001 156 4XY -0.00250 0.00042 -0.00020 0.00026 -0.00012 157 4XZ -0.00257 -0.00025 0.00013 -0.00024 -0.00004 158 4YZ 0.00195 -0.00007 0.00011 -0.00023 0.00014 159 15 C 1S -0.00322 0.00300 -0.00003 -0.00013 -0.00007 160 2S 0.00783 -0.00543 0.00016 0.00028 -0.00015 161 2PX -0.02237 0.00004 0.00104 -0.00171 0.00005 162 2PY -0.00753 -0.01412 -0.00096 0.00189 -0.00125 163 2PZ -0.02812 0.00023 0.00004 0.00034 -0.00056 164 3S 0.01390 -0.02412 -0.00046 0.00085 0.00166 165 3PX -0.01969 -0.00261 0.00163 -0.00143 -0.00045 166 3PY 0.00107 -0.01506 -0.00205 0.00180 0.00059 167 3PZ -0.01567 0.00319 0.00065 0.00018 -0.00151 168 4XX -0.00007 0.00046 0.00006 0.00000 -0.00007 169 4YY -0.00223 -0.00037 0.00001 -0.00009 0.00003 170 4ZZ 0.00173 -0.00022 -0.00005 0.00003 0.00008 171 4XY -0.00070 -0.00025 -0.00043 0.00006 0.00040 172 4XZ -0.00043 -0.00036 -0.00007 0.00001 0.00004 173 4YZ 0.00022 0.00098 -0.00011 0.00010 -0.00011 174 16 H 1S 0.01410 0.01728 0.00073 0.00006 -0.00217 175 2S 0.01672 0.03123 0.00122 -0.00009 -0.00316 176 17 H 1S -0.00897 -0.01991 -0.00107 0.00654 -0.00226 177 2S -0.01736 -0.02753 -0.00228 0.00714 -0.00258 178 18 H 1S 0.04112 -0.11026 -0.00782 -0.00511 0.01314 179 2S 0.03435 -0.09887 -0.00873 -0.00337 0.01364 180 19 H 1S 0.01691 0.01669 0.00168 0.00191 -0.00097 181 2S 0.02234 0.02286 0.00396 -0.00144 -0.00102 182 20 H 1S -0.03681 0.00266 -0.00016 -0.00012 -0.00078 183 2S -0.04916 0.00733 0.00001 0.00025 -0.00199 184 21 H 1S -0.00013 -0.00072 -0.00012 -0.00007 0.00081 185 2S 0.00083 -0.00433 -0.00076 -0.00031 0.00187 186 22 H 1S 0.04156 0.02494 0.01312 -0.00578 -0.00705 187 2S 0.03170 0.02282 0.01314 -0.00444 -0.00742 188 23 H 1S 0.01206 -0.00087 -0.00159 0.00270 0.00160 189 2S 0.01847 -0.00801 -0.00110 -0.00044 0.00324 126 127 128 129 130 126 4XY 0.00089 127 4XZ 0.00040 0.00065 128 4YZ -0.00001 -0.00032 0.00095 129 13 C 1S 0.00027 0.00003 -0.00016 2.05093 130 2S -0.00034 -0.00021 0.00014 -0.05356 0.30675 131 2PX -0.01106 -0.00040 -0.00058 -0.00216 0.00247 132 2PY -0.00012 0.00087 -0.00013 0.00197 -0.00049 133 2PZ -0.00061 0.00033 -0.01102 0.00106 -0.00015 134 3S -0.00013 0.00019 0.00030 -0.18821 0.28344 135 3PX -0.00558 -0.00055 -0.00002 0.00084 0.00408 136 3PY 0.00026 0.00122 0.00018 -0.00045 -0.00297 137 3PZ 0.00008 0.00054 -0.00516 0.00065 -0.00479 138 4XX -0.00041 0.00002 -0.00030 -0.01716 -0.00165 139 4YY 0.00008 0.00008 -0.00007 -0.01550 -0.00526 140 4ZZ 0.00029 -0.00004 0.00041 -0.01720 -0.00155 141 4XY 0.00073 0.00033 0.00011 0.00095 -0.00184 142 4XZ -0.00033 -0.00005 0.00025 -0.00087 0.00221 143 4YZ 0.00011 -0.00025 0.00079 -0.00108 0.00202 144 14 C 1S -0.00116 -0.00026 0.00106 0.01244 -0.02396 145 2S 0.00266 0.00086 -0.00215 -0.02357 0.03949 146 2PX 0.00330 0.00015 -0.00485 -0.03607 0.07421 147 2PY 0.00360 0.00083 -0.00279 -0.02998 0.05502 148 2PZ -0.00442 -0.00124 0.00362 0.04415 -0.09015 149 3S 0.00074 0.00067 -0.00238 0.00108 0.01380 150 3PX 0.00168 0.00003 -0.00205 -0.00169 0.01259 151 3PY -0.00002 -0.00076 -0.00053 -0.00483 0.01502 152 3PZ -0.00246 -0.00127 0.00114 0.00524 -0.01805 153 4XX -0.00019 0.00006 -0.00022 -0.00217 0.00325 154 4YY -0.00016 -0.00006 0.00012 0.00156 -0.00345 155 4ZZ 0.00019 0.00004 0.00025 -0.00143 0.00169 156 4XY 0.00005 -0.00001 -0.00011 -0.00239 0.00462 157 4XZ -0.00006 0.00006 0.00007 0.00437 -0.00808 158 4YZ -0.00017 0.00001 0.00011 0.00280 -0.00538 159 15 C 1S 0.00012 -0.00034 -0.00016 -0.00306 0.00645 160 2S -0.00054 0.00061 0.00069 0.00583 -0.01548 161 2PX 0.00063 0.00073 0.00022 0.00800 -0.01868 162 2PY -0.00033 0.00126 -0.00093 -0.00176 0.00610 163 2PZ 0.00079 0.00052 -0.00099 -0.01006 0.02653 164 3S 0.00174 0.00292 0.00025 0.00444 -0.01031 165 3PX 0.00133 0.00088 0.00013 0.00641 -0.01376 166 3PY 0.00012 0.00124 -0.00139 -0.00522 0.00969 167 3PZ -0.00093 -0.00014 -0.00026 -0.00358 0.00673 168 4XX 0.00001 -0.00001 -0.00005 -0.00080 0.00130 169 4YY -0.00007 -0.00004 0.00002 0.00084 -0.00166 170 4ZZ 0.00016 0.00002 -0.00011 -0.00123 0.00202 171 4XY -0.00004 0.00000 0.00006 0.00009 -0.00010 172 4XZ -0.00014 0.00002 0.00013 0.00097 -0.00212 173 4YZ -0.00020 0.00009 0.00019 0.00088 -0.00188 174 16 H 1S -0.00056 0.00042 0.00069 -0.00076 0.00122 175 2S -0.00134 -0.00063 0.00166 -0.00031 0.00002 176 17 H 1S -0.00353 0.00070 0.00328 -0.00735 0.01455 177 2S -0.00143 0.00284 0.00149 -0.00920 0.01851 178 18 H 1S -0.00170 0.00470 -0.01047 0.00750 -0.01927 179 2S -0.00232 0.00364 -0.00946 0.00827 -0.01896 180 19 H 1S 0.00207 -0.00076 0.00760 -0.05232 0.10153 181 2S 0.00259 -0.00070 0.00746 -0.00563 0.02059 182 20 H 1S -0.00162 -0.00031 0.00123 0.01192 -0.02350 183 2S -0.00254 -0.00110 0.00178 0.01495 -0.02651 184 21 H 1S 0.00086 -0.00019 -0.00072 -0.00724 0.01592 185 2S 0.00188 -0.00024 -0.00174 -0.00969 0.02215 186 22 H 1S 0.00990 0.00626 0.00220 0.00849 -0.02092 187 2S 0.00889 0.00503 0.00252 0.01082 -0.02314 188 23 H 1S -0.00756 -0.00077 -0.00233 -0.05287 0.10266 189 2S -0.00705 -0.00066 -0.00265 -0.00681 0.02188 131 132 133 134 135 131 2PX 0.39946 132 2PY -0.00273 0.38112 133 2PZ 0.00826 0.00398 0.40015 134 3S -0.02740 0.00449 0.02951 0.31661 135 3PX 0.18488 -0.00135 -0.00023 -0.01343 0.08895 136 3PY -0.00883 0.17478 0.00087 0.00454 -0.00399 137 3PZ -0.00274 0.00166 0.17903 0.01442 -0.00470 138 4XX 0.01424 -0.00838 0.01103 0.00061 0.00655 139 4YY -0.00118 0.01525 0.00028 -0.00513 -0.00060 140 4ZZ -0.00941 -0.01006 -0.01441 -0.00144 -0.00411 141 4XY -0.01373 0.00047 -0.00100 -0.00145 -0.00648 142 4XZ 0.01148 -0.00052 -0.00893 0.00055 0.00512 143 4YZ -0.00121 -0.00053 -0.01458 0.00172 -0.00046 144 14 C 1S 0.04791 0.02375 -0.04591 0.00574 0.00940 145 2S -0.10349 -0.04949 0.09404 0.02216 -0.03227 146 2PX -0.10583 -0.08846 0.13904 0.05716 -0.05671 147 2PY -0.09326 -0.03188 0.08291 0.11780 -0.04713 148 2PZ 0.15608 0.07091 -0.13089 -0.11980 0.07739 149 3S -0.06881 -0.03176 0.09339 -0.00960 -0.01393 150 3PX -0.04390 -0.03958 0.03897 -0.01345 -0.02375 151 3PY -0.00853 -0.01132 0.01734 0.02719 -0.00357 152 3PZ 0.05917 0.02975 -0.04186 -0.03145 0.02816 153 4XX 0.00835 -0.00374 0.00582 0.00542 0.00302 154 4YY 0.00282 0.00945 -0.00289 -0.00724 0.00228 155 4ZZ -0.00375 -0.00316 -0.00994 0.00263 -0.00258 156 4XY -0.00337 0.00344 0.00554 0.00422 -0.00160 157 4XZ 0.00315 0.00565 -0.00345 -0.01029 0.00109 158 4YZ 0.00632 -0.00256 -0.00441 -0.00641 0.00361 159 15 C 1S -0.00664 -0.00145 0.01299 0.00807 -0.00507 160 2S 0.01796 0.00334 -0.03364 -0.01543 0.01254 161 2PX -0.01459 0.00706 -0.02312 -0.07165 -0.00726 162 2PY -0.00154 0.00385 0.01219 -0.00865 0.01113 163 2PZ -0.04035 -0.00504 0.03950 0.03254 -0.03982 164 3S -0.01306 -0.01033 -0.02963 0.01325 -0.00856 165 3PX -0.02221 0.00644 -0.01984 -0.04951 -0.01467 166 3PY -0.01513 0.00586 0.03845 0.02284 -0.00355 167 3PZ 0.00044 0.00697 0.01134 -0.00729 -0.00516 168 4XX -0.00055 -0.00089 0.00258 0.00150 -0.00067 169 4YY 0.00297 0.00122 -0.00318 -0.00463 0.00173 170 4ZZ -0.00498 -0.00142 0.00489 0.00425 -0.00267 171 4XY 0.00083 0.00141 -0.00066 0.00151 -0.00011 172 4XZ 0.00441 0.00173 -0.00494 -0.00276 0.00257 173 4YZ 0.00294 0.00218 -0.00269 -0.00347 0.00249 174 16 H 1S -0.00236 0.00106 0.00145 0.00393 -0.00100 175 2S 0.00181 0.00123 -0.00429 0.00086 0.00221 176 17 H 1S -0.00327 0.03619 0.00280 0.04866 0.00061 177 2S -0.01493 0.05934 0.01379 0.05329 -0.00391 178 18 H 1S 0.00768 -0.02963 0.02138 -0.02029 0.00205 179 2S 0.02008 -0.05420 0.03577 -0.01039 0.00787 180 19 H 1S -0.05695 -0.09044 -0.24610 0.07881 -0.02309 181 2S -0.05725 -0.07745 -0.22661 -0.00345 -0.02447 182 20 H 1S 0.02591 0.03151 -0.02254 -0.07034 0.02243 183 2S 0.05281 0.05873 -0.04426 -0.07135 0.03189 184 21 H 1S -0.02367 -0.01142 0.02600 0.04112 -0.02444 185 2S -0.04597 -0.01668 0.05316 0.05160 -0.03546 186 22 H 1S -0.02233 -0.02680 -0.00813 -0.03330 -0.01771 187 2S -0.03249 -0.05106 -0.01879 -0.03856 -0.02211 188 23 H 1S 0.24468 -0.08047 0.06955 0.08698 0.11388 189 2S 0.21796 -0.06586 0.06414 0.00976 0.09997 136 137 138 139 140 136 3PY 0.08740 137 3PZ 0.00054 0.08364 138 4XX -0.00340 0.00441 0.00161 139 4YY 0.00600 0.00026 -0.00038 0.00123 140 4ZZ -0.00421 -0.00604 -0.00066 -0.00029 0.00156 141 4XY 0.00089 -0.00022 -0.00053 0.00020 0.00031 142 4XZ -0.00077 -0.00403 0.00012 -0.00003 -0.00001 143 4YZ -0.00034 -0.00671 -0.00036 -0.00016 0.00052 144 14 C 1S 0.00508 -0.00844 -0.00124 0.00066 -0.00153 145 2S -0.00884 0.03020 0.00156 -0.00218 0.00225 146 2PX -0.04983 0.07258 -0.00791 -0.00160 0.00636 147 2PY 0.00330 0.04276 0.00282 -0.00988 0.00273 148 2PZ 0.03350 -0.05935 -0.00508 0.00164 0.00848 149 3S -0.00118 0.02437 0.00363 -0.00155 -0.00028 150 3PX -0.02541 0.02246 -0.00668 0.00045 0.00567 151 3PY -0.00175 0.00470 0.00209 -0.00350 0.00006 152 3PZ 0.00868 -0.01694 -0.00403 0.00121 0.00431 153 4XX -0.00205 0.00314 0.00072 -0.00030 -0.00057 154 4YY 0.00365 -0.00214 -0.00025 0.00084 -0.00041 155 4ZZ -0.00115 -0.00367 -0.00050 -0.00035 0.00080 156 4XY 0.00156 0.00259 -0.00023 0.00017 -0.00011 157 4XZ 0.00312 -0.00117 -0.00024 0.00032 0.00005 158 4YZ -0.00078 -0.00221 0.00007 -0.00012 0.00032 159 15 C 1S -0.00350 0.00772 0.00040 0.00066 -0.00193 160 2S 0.00783 -0.01716 -0.00111 -0.00161 0.00383 161 2PX 0.01742 -0.00500 -0.00869 -0.00031 0.00968 162 2PY 0.00438 0.00144 0.00081 0.00172 -0.00408 163 2PZ -0.01673 0.02930 -0.00240 0.00373 -0.00456 164 3S 0.00848 -0.00547 -0.00076 -0.00258 0.00336 165 3PX 0.01148 -0.00461 -0.00586 0.00026 0.00567 166 3PY 0.00722 0.01771 0.00178 0.00013 -0.00314 167 3PZ 0.00017 0.00544 -0.00163 0.00133 -0.00042 168 4XX -0.00085 0.00143 -0.00001 0.00005 -0.00011 169 4YY -0.00016 -0.00177 -0.00013 0.00035 -0.00012 170 4ZZ -0.00012 0.00200 0.00034 -0.00027 -0.00016 171 4XY 0.00119 0.00006 0.00024 -0.00006 -0.00026 172 4XZ 0.00113 -0.00265 0.00028 0.00006 -0.00023 173 4YZ 0.00223 -0.00177 -0.00002 0.00004 0.00020 174 16 H 1S 0.00013 -0.00072 -0.00012 -0.00007 0.00081 175 2S -0.00083 -0.00433 -0.00076 -0.00031 0.00188 176 17 H 1S 0.03681 0.00266 -0.00016 -0.00012 -0.00079 177 2S 0.04916 0.00733 0.00001 0.00026 -0.00199 178 18 H 1S -0.01691 0.01669 0.00168 0.00191 -0.00098 179 2S -0.02235 0.02286 0.00396 -0.00144 -0.00103 180 19 H 1S -0.04111 -0.11026 -0.00783 -0.00511 0.01314 181 2S -0.03434 -0.09887 -0.00873 -0.00338 0.01364 182 20 H 1S 0.00898 -0.01991 -0.00107 0.00654 -0.00226 183 2S 0.01736 -0.02752 -0.00228 0.00714 -0.00258 184 21 H 1S -0.01411 0.01727 0.00073 0.00006 -0.00217 185 2S -0.01672 0.03122 0.00122 -0.00009 -0.00316 186 22 H 1S -0.01206 -0.00088 -0.00159 0.00270 0.00160 187 2S -0.01847 -0.00802 -0.00110 -0.00044 0.00324 188 23 H 1S -0.04155 0.02495 0.01312 -0.00578 -0.00705 189 2S -0.03170 0.02283 0.01314 -0.00444 -0.00741 141 142 143 144 145 141 4XY 0.00089 142 4XZ -0.00040 0.00065 143 4YZ -0.00001 0.00032 0.00095 144 14 C 1S -0.00307 0.00455 0.00296 2.05494 145 2S 0.00570 -0.00898 -0.00534 -0.06108 0.32600 146 2PX 0.00321 -0.00380 -0.00633 0.00137 0.00135 147 2PY -0.00243 -0.00623 0.00254 0.00186 0.00372 148 2PZ -0.00650 0.00419 0.00393 -0.00409 0.00570 149 3S 0.00384 -0.00794 -0.00518 -0.19678 0.28869 150 3PX 0.00178 -0.00103 -0.00285 0.00513 -0.00814 151 3PY -0.00226 -0.00120 0.00178 -0.00719 -0.00824 152 3PZ -0.00329 0.00202 0.00106 0.00797 -0.01694 153 4XX -0.00043 0.00031 -0.00007 -0.01165 -0.01268 154 4YY 0.00024 0.00014 -0.00018 -0.01845 0.00165 155 4ZZ -0.00003 0.00018 0.00051 -0.01376 -0.00746 156 4XY 0.00014 -0.00017 -0.00025 -0.00144 0.00305 157 4XZ -0.00001 0.00018 -0.00001 0.00268 -0.00572 158 4YZ -0.00019 0.00010 0.00011 -0.00106 0.00231 159 15 C 1S 0.00036 0.00028 -0.00043 0.01820 -0.03387 160 2S -0.00095 -0.00057 0.00131 -0.03656 0.06338 161 2PX 0.00075 -0.00042 -0.00132 -0.01017 0.01982 162 2PY 0.00158 0.00099 -0.00070 0.03659 -0.07634 163 2PZ 0.00273 0.00335 -0.00275 0.07344 -0.14774 164 3S 0.00144 -0.00060 0.00064 0.00947 0.01598 165 3PX 0.00150 0.00016 -0.00078 0.00716 -0.00750 166 3PY 0.00105 -0.00100 -0.00167 0.00664 -0.01372 167 3PZ -0.00007 0.00128 -0.00106 0.00572 -0.03328 168 4XX 0.00001 0.00005 -0.00009 0.00197 -0.00391 169 4YY 0.00008 0.00025 -0.00006 0.00121 -0.00333 170 4ZZ 0.00007 -0.00033 -0.00005 -0.00362 0.00683 171 4XY -0.00006 0.00008 0.00005 0.00128 -0.00250 172 4XZ -0.00010 0.00020 0.00018 0.00125 -0.00243 173 4YZ -0.00004 -0.00006 0.00002 -0.00482 0.00896 174 16 H 1S -0.00086 -0.00019 0.00072 -0.00745 0.01733 175 2S -0.00188 -0.00024 0.00174 -0.01207 0.02472 176 17 H 1S 0.00162 -0.00031 -0.00123 -0.00248 0.00754 177 2S 0.00254 -0.00109 -0.00178 -0.00361 0.01354 178 18 H 1S -0.00208 -0.00076 -0.00760 -0.00412 0.01082 179 2S -0.00259 -0.00070 -0.00746 -0.00540 0.01200 180 19 H 1S 0.00169 0.00470 0.01047 0.00836 -0.01923 181 2S 0.00232 0.00364 0.00946 0.01324 -0.02578 182 20 H 1S 0.00353 0.00070 -0.00328 -0.05974 0.11313 183 2S 0.00143 0.00284 -0.00149 -0.01318 0.02654 184 21 H 1S 0.00056 0.00043 -0.00069 0.01303 -0.02811 185 2S 0.00134 -0.00063 -0.00166 0.01856 -0.03297 186 22 H 1S 0.00756 -0.00077 0.00233 -0.00199 0.00839 187 2S 0.00705 -0.00066 0.00265 -0.00265 0.00790 188 23 H 1S -0.00990 0.00626 -0.00220 0.00784 -0.02317 189 2S -0.00889 0.00503 -0.00252 0.01198 -0.02844 146 147 148 149 150 146 2PX 0.34895 147 2PY 0.01259 0.41139 148 2PZ -0.03323 0.01965 0.39186 149 3S -0.04143 -0.00160 0.00461 0.29355 150 3PX 0.20156 -0.02642 0.03981 -0.03135 0.13458 151 3PY -0.02145 0.13270 0.01204 0.00442 -0.02086 152 3PZ 0.04362 -0.00316 0.16556 -0.02128 0.05105 153 4XX -0.00008 0.00550 -0.00825 -0.01007 -0.00215 154 4YY -0.00442 -0.02175 -0.00238 0.00408 -0.00070 155 4ZZ 0.00382 0.00996 0.00780 -0.00795 0.00300 156 4XY 0.00713 -0.00232 -0.00298 0.00191 0.00336 157 4XZ 0.00067 -0.00586 0.00628 -0.00466 0.00247 158 4YZ -0.00357 0.00095 0.01163 0.00248 -0.00016 159 15 C 1S 0.01248 -0.03913 -0.06920 -0.01204 -0.00123 160 2S -0.02889 0.07808 0.14402 0.03990 0.00105 161 2PX 0.18247 -0.00827 0.15745 0.00232 0.13403 162 2PY 0.00836 -0.05063 -0.15688 -0.05278 -0.00031 163 2PZ 0.12424 -0.15361 -0.18246 -0.16229 0.05752 164 3S -0.01396 0.09103 0.06289 -0.02058 -0.00534 165 3PX 0.12104 -0.02349 0.07217 -0.01949 0.08766 166 3PY -0.00595 0.00957 -0.08828 -0.00712 -0.01720 167 3PZ 0.06024 -0.05155 -0.01035 -0.03123 0.03953 168 4XX 0.00460 -0.00268 -0.00489 -0.00338 0.00206 169 4YY 0.00045 -0.01327 -0.00353 -0.00245 0.00142 170 4ZZ -0.00425 0.00905 -0.00331 0.00651 -0.00442 171 4XY -0.00552 0.00056 -0.00434 -0.00289 -0.00489 172 4XZ -0.00985 -0.00317 -0.00244 0.00010 -0.00561 173 4YZ -0.00406 -0.00230 0.00890 0.01073 -0.00132 174 16 H 1S 0.00072 0.01536 0.03355 0.03976 0.00069 175 2S 0.00395 0.03065 0.06995 0.04600 0.00681 176 17 H 1S -0.00732 0.00905 -0.00836 0.00684 -0.00885 177 2S -0.02064 0.02463 -0.02719 0.01579 -0.02051 178 18 H 1S 0.00464 0.01090 -0.01587 0.01433 -0.00148 179 2S 0.00030 0.02098 -0.02861 0.01287 -0.01140 180 19 H 1S -0.00782 -0.00216 0.03479 -0.03973 0.00861 181 2S 0.00585 -0.01065 0.08285 -0.04434 0.02827 182 20 H 1S -0.03567 -0.26354 -0.01524 0.11156 -0.00248 183 2S -0.02582 -0.24292 0.00120 0.03260 0.00816 184 21 H 1S 0.00994 -0.00381 -0.04387 -0.05137 -0.00536 185 2S 0.02491 0.00037 -0.09600 -0.05570 -0.00627 186 22 H 1S 0.02438 0.00437 -0.00381 -0.00714 0.02215 187 2S 0.03233 0.01230 -0.00476 -0.00384 0.02883 188 23 H 1S -0.02370 -0.00466 0.01466 -0.01004 -0.02696 189 2S -0.06285 -0.00793 0.01756 -0.00441 -0.04470 151 152 153 154 155 151 3PY 0.05435 152 3PZ -0.00139 0.08689 153 4XX 0.00209 -0.00293 0.00127 154 4YY -0.00642 -0.00124 -0.00040 0.00185 155 4ZZ 0.00273 0.00383 0.00022 -0.00083 0.00134 156 4XY -0.00167 0.00000 -0.00012 0.00016 -0.00014 157 4XZ -0.00207 0.00273 -0.00009 0.00034 0.00007 158 4YZ 0.00083 0.00367 -0.00033 0.00008 0.00006 159 15 C 1S -0.01122 -0.01451 0.00275 0.00162 -0.00434 160 2S 0.02913 0.03846 -0.00570 -0.00337 0.00759 161 2PX -0.01794 0.08770 -0.00647 -0.00018 0.00512 162 2PY -0.00609 -0.07190 0.00276 0.01232 -0.00900 163 2PZ -0.06277 -0.04942 0.00709 0.00174 0.00395 164 3S 0.01666 0.00407 -0.00163 -0.00546 0.00806 165 3PX -0.01808 0.04372 -0.00328 -0.00019 0.00416 166 3PY 0.00191 -0.04173 0.00219 0.00297 -0.00397 167 3PZ -0.01564 0.00713 0.00056 0.00071 0.00238 168 4XX -0.00127 -0.00047 0.00031 -0.00004 -0.00013 169 4YY -0.00390 -0.00120 -0.00012 0.00096 -0.00047 170 4ZZ 0.00289 -0.00262 0.00007 -0.00069 0.00016 171 4XY -0.00013 -0.00337 0.00022 -0.00013 0.00017 172 4XZ 0.00002 -0.00237 0.00014 0.00045 -0.00046 173 4YZ -0.00060 0.00332 -0.00052 0.00038 -0.00038 174 16 H 1S 0.00619 0.02891 -0.00008 -0.00253 0.00052 175 2S 0.01435 0.04556 -0.00094 -0.00367 0.00154 176 17 H 1S -0.00887 -0.00707 0.00003 0.00087 -0.00035 177 2S -0.00300 -0.01989 0.00000 0.00156 -0.00131 178 18 H 1S -0.00439 -0.00934 0.00148 -0.00152 -0.00049 179 2S -0.00184 -0.01853 0.00239 -0.00248 -0.00056 180 19 H 1S 0.00045 0.01726 -0.00315 -0.00269 0.00875 181 2S -0.00503 0.03715 -0.00458 -0.00207 0.00871 182 20 H 1S -0.08502 -0.01081 -0.00811 0.01662 -0.01016 183 2S -0.07297 0.00333 -0.00547 0.01575 -0.00812 184 21 H 1S -0.00706 -0.01816 0.00274 -0.00556 0.00658 185 2S -0.00967 -0.03605 0.00426 -0.00527 0.00407 186 22 H 1S -0.00996 -0.01260 -0.00032 -0.00102 0.00150 187 2S -0.00250 -0.01211 -0.00043 -0.00202 0.00252 188 23 H 1S 0.01210 0.00690 0.00852 -0.00239 -0.00292 189 2S 0.01397 -0.00203 0.00744 -0.00166 -0.00322 156 157 158 159 160 156 4XY 0.00038 157 4XZ 0.00002 0.00090 158 4YZ -0.00024 0.00012 0.00071 159 15 C 1S 0.00115 0.00133 -0.00435 2.05282 160 2S -0.00233 -0.00236 0.00871 -0.06255 0.32755 161 2PX 0.00459 0.01199 0.00393 -0.00140 0.00252 162 2PY -0.00024 0.00174 0.00305 0.00097 0.00036 163 2PZ 0.00387 0.00221 -0.00980 -0.00131 -0.00543 164 3S -0.00182 -0.00125 0.00542 -0.15830 0.24228 165 3PX 0.00308 0.00835 0.00080 0.00113 -0.00315 166 3PY 0.00027 -0.00080 -0.00011 0.00251 -0.01345 167 3PZ 0.00168 0.00240 -0.00183 -0.00982 0.03047 168 4XX 0.00014 0.00008 -0.00041 -0.01240 -0.01304 169 4YY 0.00005 0.00026 0.00008 -0.01693 -0.00310 170 4ZZ -0.00002 -0.00040 -0.00031 -0.01781 -0.00166 171 4XY 0.00001 0.00009 -0.00014 -0.00134 0.00254 172 4XZ -0.00021 0.00017 0.00007 0.00350 -0.00743 173 4YZ 0.00005 0.00030 0.00039 0.00175 -0.00281 174 16 H 1S 0.00010 0.00007 -0.00104 0.01228 -0.02561 175 2S 0.00001 0.00002 -0.00036 0.01413 -0.02480 176 17 H 1S 0.00061 0.00011 0.00036 -0.00834 0.01853 177 2S 0.00078 -0.00002 0.00046 -0.01169 0.02553 178 18 H 1S -0.00075 -0.00039 0.00062 -0.00055 0.00024 179 2S -0.00054 -0.00038 0.00067 -0.00112 0.00004 180 19 H 1S -0.00196 -0.00197 0.00112 -0.00765 0.01861 181 2S -0.00230 0.00141 0.00287 -0.01117 0.02682 182 20 H 1S 0.00237 0.00185 0.00063 0.01202 -0.02505 183 2S 0.00162 0.00344 0.00082 0.01331 -0.02557 184 21 H 1S 0.00010 -0.00402 -0.00406 -0.06047 0.11437 185 2S 0.00095 -0.00382 -0.00629 -0.01307 0.02613 186 22 H 1S -0.00087 0.00039 0.00054 -0.00129 0.00194 187 2S -0.00114 0.00119 0.00035 -0.00201 0.00358 188 23 H 1S -0.00078 -0.00297 0.00156 0.00146 -0.00211 189 2S -0.00206 -0.00037 0.00201 0.00149 -0.00233 161 162 163 164 165 161 2PX 0.35515 162 2PY -0.00138 0.41443 163 2PZ -0.03125 0.00023 0.40211 164 3S 0.00291 0.01317 0.04226 0.23666 165 3PX 0.21933 -0.01073 0.03527 0.00653 0.14682 166 3PY -0.02697 0.13648 -0.00083 0.00804 -0.02135 167 3PZ 0.04209 -0.01216 0.12272 0.02201 0.04331 168 4XX 0.00071 -0.00285 0.00347 -0.00857 0.00095 169 4YY 0.00128 0.01322 0.00403 -0.00280 0.00121 170 4ZZ -0.00663 -0.01342 -0.00166 0.00017 -0.00369 171 4XY -0.00125 -0.00159 0.00728 0.00508 0.00039 172 4XZ -0.00287 0.00739 -0.00687 -0.00603 -0.00244 173 4YZ 0.00873 0.00073 -0.01435 -0.00535 0.00323 174 16 H 1S 0.00303 -0.04306 -0.02281 -0.06018 -0.00165 175 2S 0.01688 -0.08409 -0.04849 -0.06560 0.00208 176 17 H 1S 0.00155 0.03521 -0.00164 0.05322 -0.00062 177 2S -0.00347 0.06912 -0.01169 0.05940 -0.00551 178 18 H 1S -0.00220 0.00239 -0.00167 0.01612 -0.00419 179 2S 0.00424 0.00404 0.00328 0.02477 0.00014 180 19 H 1S 0.02816 -0.01506 -0.01740 0.02092 0.01982 181 2S 0.07206 -0.02254 -0.02835 0.02508 0.04660 182 20 H 1S 0.00096 0.03529 0.02659 -0.05395 0.00252 183 2S 0.00975 0.07176 0.04540 -0.05132 0.00957 184 21 H 1S -0.10770 -0.13135 0.20427 0.11163 -0.03752 185 2S -0.10364 -0.11577 0.18742 0.05136 -0.03642 186 22 H 1S 0.00672 -0.00025 -0.00058 0.02356 0.01370 187 2S 0.02593 -0.00482 0.00549 0.02297 0.02957 188 23 H 1S -0.03905 0.00246 -0.01315 -0.01502 -0.03448 189 2S -0.03687 -0.00133 -0.01424 -0.01376 -0.02833 166 167 168 169 170 166 3PY 0.05806 167 3PZ -0.01311 0.05819 168 4XX -0.00047 0.00024 0.00073 169 4YY 0.00303 0.00086 0.00012 0.00115 170 4ZZ -0.00273 -0.00118 0.00023 -0.00055 0.00110 171 4XY 0.00047 0.00152 -0.00013 -0.00010 0.00021 172 4XZ 0.00263 -0.00329 0.00011 0.00028 -0.00017 173 4YZ -0.00013 -0.00261 -0.00002 0.00006 -0.00015 174 16 H 1S -0.01990 0.00236 0.00081 0.00186 0.00087 175 2S -0.03592 0.00209 0.00147 -0.00152 0.00200 176 17 H 1S 0.03275 0.00183 -0.00046 -0.00128 -0.00063 177 2S 0.04660 -0.00343 -0.00112 -0.00111 -0.00081 178 18 H 1S 0.01297 -0.00567 -0.00017 0.00009 0.00061 179 2S 0.01711 -0.00732 -0.00039 -0.00011 0.00099 180 19 H 1S -0.02578 -0.00544 -0.00086 0.00025 -0.00164 181 2S -0.03336 -0.00233 -0.00103 0.00042 -0.00286 182 20 H 1S 0.00018 0.01405 -0.00033 0.00812 -0.00390 183 2S 0.00649 0.02119 0.00003 0.00887 -0.00647 184 21 H 1S -0.03856 0.06086 -0.00203 -0.00398 0.00567 185 2S -0.02570 0.04161 0.00088 -0.00348 0.00600 186 22 H 1S -0.00497 -0.00836 0.00027 -0.00023 0.00005 187 2S -0.00938 0.00074 0.00023 -0.00045 0.00039 188 23 H 1S 0.00227 -0.00080 0.00050 0.00001 -0.00025 189 2S 0.00082 -0.00004 0.00001 0.00008 0.00050 171 172 173 174 175 171 4XY 0.00077 172 4XZ -0.00002 0.00070 173 4YZ -0.00032 0.00039 0.00134 174 16 H 1S -0.00413 0.00003 0.00776 0.21724 175 2S -0.00450 -0.00047 0.00806 0.17508 0.16429 176 17 H 1S 0.00001 0.00045 0.00187 -0.02322 -0.02696 177 2S 0.00060 0.00118 0.00241 -0.02780 -0.03281 178 18 H 1S 0.00118 0.00007 -0.00062 -0.00920 -0.02129 179 2S 0.00307 0.00015 -0.00105 -0.02202 -0.03595 180 19 H 1S -0.00075 0.00061 0.00052 0.00337 0.00973 181 2S -0.00152 0.00015 0.00176 0.00687 0.01666 182 20 H 1S -0.00110 0.00251 0.00540 -0.00954 -0.01804 183 2S -0.00127 0.00294 0.00316 -0.02017 -0.02680 184 21 H 1S 0.00596 -0.00814 -0.01198 -0.02200 -0.02493 185 2S 0.00552 -0.00608 -0.01152 -0.02493 -0.03128 186 22 H 1S -0.00205 -0.00071 -0.00073 0.00019 -0.00468 187 2S -0.00214 -0.00074 -0.00096 0.00012 -0.00455 188 23 H 1S 0.00095 0.00152 0.00018 -0.00040 0.00019 189 2S 0.00209 0.00261 0.00057 0.00029 -0.00060 176 177 178 179 180 176 17 H 1S 0.21689 177 2S 0.17480 0.16312 178 18 H 1S -0.01313 -0.00817 0.21677 179 2S -0.01111 -0.00323 0.17930 0.17241 180 19 H 1S -0.00710 -0.01833 -0.02802 -0.03301 0.21677 181 2S -0.01349 -0.02634 -0.03300 -0.03951 0.17930 182 20 H 1S 0.00167 -0.00097 -0.00710 -0.01348 -0.01313 183 2S -0.00097 -0.00327 -0.01833 -0.02633 -0.00818 184 21 H 1S -0.00954 -0.02017 0.00337 0.00687 -0.00920 185 2S -0.01804 -0.02680 0.00973 0.01666 -0.02129 186 22 H 1S -0.00866 -0.00364 -0.02461 -0.05553 0.01641 187 2S -0.00561 -0.00187 -0.05111 -0.06291 0.02854 188 23 H 1S -0.00553 -0.01301 0.01642 0.03289 -0.02461 189 2S -0.01238 -0.01781 0.02855 0.04384 -0.05111 181 182 183 184 185 181 2S 0.17240 182 20 H 1S -0.01111 0.21689 183 2S -0.00323 0.17480 0.16313 184 21 H 1S -0.02202 -0.02322 -0.02780 0.21724 185 2S -0.03594 -0.02696 -0.03281 0.17508 0.16429 186 22 H 1S 0.03288 -0.00554 -0.01301 -0.00040 0.00019 187 2S 0.04383 -0.01239 -0.01781 0.00029 -0.00060 188 23 H 1S -0.05553 -0.00866 -0.00363 0.00019 -0.00468 189 2S -0.06291 -0.00561 -0.00187 0.00013 -0.00455 186 187 188 189 186 22 H 1S 0.21519 187 2S 0.17214 0.15965 188 23 H 1S -0.03097 -0.03287 0.21519 189 2S -0.03287 -0.03048 0.17214 0.15965 Full Mulliken population analysis: 1 2 3 4 5 1 1 C 1S 2.05261 2 2S -0.01388 0.33256 3 2PX 0.00000 0.00000 0.35371 4 2PY 0.00000 0.00000 0.00000 0.42804 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.37250 6 3S -0.03169 0.22153 0.00000 0.00000 0.00000 7 3PX 0.00000 0.00000 0.10356 0.00000 0.00000 8 3PY 0.00000 0.00000 0.00000 0.06761 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.08662 10 4XX -0.00098 -0.00823 0.00000 0.00000 0.00000 11 4YY -0.00136 -0.00089 0.00000 0.00000 0.00000 12 4ZZ -0.00119 -0.00395 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 -0.00066 0.00000 -0.00298 0.00000 17 2S -0.00066 0.01406 0.00000 0.04390 0.00000 18 2PX 0.00000 0.00000 0.01689 0.00000 0.00000 19 2PY -0.00298 0.04390 0.00000 0.10306 0.00000 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.01345 21 3S 0.00022 0.00850 0.00000 0.03419 0.00000 22 3PX 0.00000 0.00000 0.02495 0.00000 0.00000 23 3PY -0.00027 0.01059 0.00000 0.01765 0.00000 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.02001 25 4XX 0.00000 -0.00058 0.00000 -0.00161 0.00000 26 4YY -0.00028 0.00372 0.00000 0.00305 0.00000 27 4ZZ 0.00000 -0.00072 0.00000 -0.00139 0.00000 28 4XY 0.00000 0.00000 0.00216 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 0.00225 31 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 32 2S 0.00000 -0.00017 -0.00052 -0.00020 0.00001 33 2PX 0.00000 -0.00050 -0.00057 -0.00023 -0.00040 34 2PY 0.00000 -0.00005 -0.00033 -0.00001 -0.00024 35 2PZ 0.00000 -0.00019 -0.00046 -0.00005 0.00001 36 3S 0.00010 -0.00108 -0.00375 -0.00142 -0.00004 37 3PX 0.00029 -0.00351 0.00031 -0.00101 -0.00346 38 3PY 0.00003 -0.00050 -0.00201 -0.00009 -0.00105 39 3PZ 0.00009 -0.00101 -0.00140 -0.00016 0.00004 40 4XX 0.00000 0.00003 0.00016 -0.00002 0.00008 41 4YY 0.00000 -0.00002 -0.00007 0.00000 -0.00003 42 4ZZ 0.00000 0.00002 0.00010 -0.00001 0.00001 43 4XY 0.00000 0.00001 0.00001 0.00000 0.00002 44 4XZ 0.00000 0.00002 0.00013 0.00001 0.00003 45 4YZ 0.00000 0.00000 0.00006 0.00000 0.00000 46 4 O 1S 0.00000 -0.00007 -0.00042 -0.00007 -0.00030 47 2S -0.00002 0.00123 0.00793 0.00179 0.00540 48 2PX -0.00023 0.01163 0.01476 0.00636 0.01937 49 2PY -0.00005 0.00233 0.00492 -0.00073 0.00370 50 2PZ -0.00013 0.00563 0.02017 0.00360 0.00309 51 3S 0.00037 -0.00405 0.00779 -0.00266 0.00958 52 3PX -0.00205 0.02126 0.00872 0.00721 0.01956 53 3PY -0.00079 0.00710 0.00657 -0.00457 0.00651 54 3PZ -0.00126 0.01050 0.02145 0.00438 -0.00174 55 4XX -0.00006 0.00082 -0.00105 0.00079 0.00109 56 4YY -0.00001 0.00013 0.00047 0.00000 0.00044 57 4ZZ -0.00002 0.00024 0.00134 0.00049 -0.00045 58 4XY -0.00007 0.00081 0.00075 0.00022 0.00104 59 4XZ -0.00016 0.00148 0.00068 0.00040 0.00008 60 4YZ -0.00005 0.00045 0.00134 0.00014 0.00010 61 5 H 1S -0.00228 0.03690 0.00793 0.03846 0.05133 62 2S -0.00156 0.01879 0.00288 0.02289 0.03191 63 6 H 1S 0.00000 -0.00021 -0.00002 -0.00048 0.00001 64 2S 0.00025 -0.00404 -0.00034 -0.00663 -0.00022 65 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 -0.00004 0.00100 0.00005 -0.00012 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 -0.00004 0.00007 -0.00016 -0.00005 70 2PY 0.00000 -0.00017 -0.00008 -0.00034 -0.00005 71 2PZ 0.00000 0.00001 -0.00008 -0.00013 0.00003 72 3S -0.00001 -0.00010 -0.00115 0.00120 -0.00084 73 3PX 0.00003 -0.00090 0.00052 -0.00165 -0.00102 74 3PY 0.00012 -0.00335 -0.00153 -0.00361 -0.00042 75 3PZ -0.00001 0.00029 -0.00155 -0.00159 -0.00018 76 4XX 0.00000 0.00000 -0.00001 -0.00004 0.00002 77 4YY 0.00000 -0.00003 -0.00001 -0.00006 0.00001 78 4ZZ 0.00000 0.00000 0.00002 -0.00002 0.00000 79 4XY 0.00000 0.00002 0.00002 0.00012 0.00000 80 4XZ 0.00000 0.00000 0.00000 0.00001 0.00000 81 4YZ 0.00000 0.00001 0.00001 0.00006 0.00000 82 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 83 2S -0.00001 0.00018 0.00049 0.00002 0.00017 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 -0.00002 87 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00000 -0.00001 0.00000 -0.00001 89 3S 0.00000 0.00000 -0.00010 -0.00008 -0.00011 90 3PX 0.00001 -0.00029 -0.00048 0.00014 -0.00123 91 3PY 0.00000 -0.00003 -0.00026 0.00002 -0.00039 92 3PZ 0.00001 -0.00023 -0.00085 0.00001 -0.00084 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 -0.00003 0.00006 -0.00004 -0.00007 105 3PX 0.00001 -0.00021 -0.00027 -0.00041 -0.00043 106 3PY 0.00000 -0.00001 0.00037 0.00007 0.00017 107 3PZ 0.00000 -0.00009 0.00001 -0.00034 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 -0.00001 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 -0.00005 -0.00069 0.00006 -0.00003 120 3PX 0.00000 0.00000 -0.00016 -0.00001 0.00000 121 3PY 0.00000 0.00001 0.00000 -0.00002 0.00001 122 3PZ 0.00000 0.00001 0.00003 0.00000 -0.00005 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 -0.00003 0.00000 0.00000 131 2PX 0.00000 -0.00002 -0.00009 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 -0.00057 -0.00076 -0.00002 -0.00003 135 3PX 0.00005 -0.00086 -0.00006 -0.00002 -0.00005 136 3PY 0.00000 0.00001 0.00006 -0.00012 0.00000 137 3PZ 0.00000 -0.00002 -0.00003 0.00000 -0.00015 138 4XX 0.00000 0.00000 0.00002 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 -0.00009 0.00003 -0.00002 0.00007 146 2PX 0.00000 0.00020 0.00187 0.00023 0.00122 147 2PY 0.00000 0.00001 0.00027 -0.00001 0.00012 148 2PZ 0.00000 0.00006 0.00077 0.00006 0.00032 149 3S 0.00005 -0.00009 -0.00022 -0.00008 0.00158 150 3PX 0.00000 0.00035 0.00670 0.00092 0.00586 151 3PY -0.00001 0.00032 0.00053 0.00001 0.00076 152 3PZ -0.00008 0.00091 0.00443 0.00082 0.00060 153 4XX 0.00000 0.00002 0.00007 0.00002 0.00005 154 4YY 0.00000 0.00000 -0.00001 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00001 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00002 0.00000 0.00001 157 4XZ 0.00000 0.00003 0.00011 0.00002 0.00002 158 4YZ 0.00000 0.00000 0.00001 0.00000 0.00001 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 -0.00001 0.00000 -0.00002 161 2PX 0.00000 -0.00001 -0.00002 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 -0.00002 -0.00004 0.00000 -0.00004 164 3S 0.00000 -0.00003 0.00036 0.00000 0.00011 165 3PX 0.00002 -0.00059 -0.00051 0.00000 -0.00063 166 3PY 0.00000 0.00000 0.00000 0.00009 0.00000 167 3PZ 0.00002 -0.00062 -0.00031 0.00000 -0.00069 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 0.00000 0.00000 0.00000 -0.00001 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00001 0.00000 0.00004 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00002 0.00008 -0.00003 -0.00002 180 19 H 1S 0.00000 0.00000 -0.00001 0.00000 0.00000 181 2S 0.00000 -0.00009 -0.00046 0.00000 0.00016 182 20 H 1S 0.00000 0.00000 -0.00001 -0.00001 0.00000 183 2S 0.00001 -0.00014 -0.00057 -0.00047 -0.00021 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00001 0.00003 0.00000 0.00005 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 0.00002 0.00011 0.00000 0.00001 6 7 8 9 10 6 3S 0.29973 7 3PX 0.00000 0.12473 8 3PY 0.00000 0.00000 0.05430 9 3PZ 0.00000 0.00000 0.00000 0.08173 10 4XX -0.00569 0.00000 0.00000 0.00000 0.00257 11 4YY -0.00013 0.00000 0.00000 0.00000 -0.00022 12 4ZZ -0.00315 0.00000 0.00000 0.00000 -0.00017 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 0.00022 0.00000 -0.00027 0.00000 0.00000 17 2S 0.00850 0.00000 0.01059 0.00000 -0.00058 18 2PX 0.00000 0.02495 0.00000 0.00000 0.00000 19 2PY 0.03420 0.00000 0.01765 0.00000 -0.00161 20 2PZ 0.00000 0.00000 0.00000 0.02001 0.00000 21 3S -0.02067 0.00000 -0.00416 0.00000 -0.00086 22 3PX 0.00000 0.03516 0.00000 0.00000 0.00000 23 3PY -0.00416 0.00000 0.00160 0.00000 -0.00173 24 3PZ 0.00000 0.00000 0.00000 0.02759 0.00000 25 4XX -0.00086 0.00000 -0.00173 0.00000 0.00004 26 4YY 0.00373 0.00000 0.00134 0.00000 -0.00004 27 4ZZ -0.00221 0.00000 -0.00081 0.00000 0.00000 28 4XY 0.00000 0.00129 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 0.00098 0.00000 31 3 C 1S 0.00007 0.00024 0.00007 -0.00002 0.00000 32 2S -0.00077 -0.00343 -0.00115 0.00097 0.00004 33 2PX -0.00349 -0.00246 -0.00025 -0.00079 0.00014 34 2PY 0.00049 -0.00178 -0.00087 -0.00083 0.00003 35 2PZ -0.00159 -0.00220 0.00017 0.00003 0.00005 36 3S 0.00114 -0.00718 -0.00271 0.00295 0.00005 37 3PX -0.00871 0.00157 0.00029 -0.00415 0.00006 38 3PY 0.00058 -0.00176 0.00005 -0.00046 -0.00002 39 3PZ -0.00128 -0.00325 -0.00026 -0.00045 0.00043 40 4XX -0.00025 0.00049 0.00008 0.00008 -0.00001 41 4YY -0.00017 -0.00061 0.00004 -0.00019 0.00000 42 4ZZ 0.00033 0.00059 -0.00007 0.00004 0.00000 43 4XY 0.00002 -0.00015 -0.00008 -0.00007 0.00000 44 4XZ 0.00006 0.00008 -0.00003 0.00001 0.00002 45 4YZ 0.00002 0.00010 -0.00002 0.00000 0.00001 46 4 O 1S 0.00133 0.00029 -0.00027 0.00044 -0.00004 47 2S -0.02021 -0.00428 0.00287 -0.00588 0.00111 48 2PX 0.00349 0.00051 0.00069 0.00347 -0.00088 49 2PY 0.00289 -0.00129 0.00461 0.00029 0.00079 50 2PZ 0.00684 0.00776 0.00155 -0.00120 0.00394 51 3S -0.06296 -0.01155 0.00244 -0.01076 0.00123 52 3PX 0.00095 -0.00193 -0.00011 0.00196 -0.00176 53 3PY 0.00840 -0.00310 0.01104 0.00115 0.00111 54 3PZ 0.01609 0.00886 0.00298 -0.00697 0.00637 55 4XX 0.00153 -0.00127 0.00052 0.00103 -0.00004 56 4YY 0.00058 -0.00036 -0.00023 0.00029 0.00008 57 4ZZ 0.00101 0.00207 0.00016 -0.00055 0.00009 58 4XY 0.00017 0.00001 0.00020 0.00006 -0.00006 59 4XZ 0.00042 0.00000 0.00004 0.00005 -0.00001 60 4YZ 0.00017 0.00020 0.00012 0.00001 0.00018 61 5 H 1S 0.05109 0.00330 0.01136 0.02349 -0.00138 62 2S 0.03020 -0.00079 0.00771 0.02377 -0.00261 63 6 H 1S -0.00438 -0.00015 -0.00396 0.00001 0.00000 64 2S -0.01600 -0.00044 -0.00968 0.00022 0.00021 65 7 H 1S -0.00005 0.00032 0.00003 0.00001 0.00000 66 2S -0.00222 0.00603 0.00084 -0.00068 -0.00023 67 8 O 1S -0.00013 0.00000 -0.00014 -0.00001 0.00000 68 2S 0.00200 0.00009 0.00147 0.00034 0.00000 69 2PX -0.00074 0.00019 -0.00020 -0.00007 0.00000 70 2PY -0.00427 0.00105 -0.00423 0.00087 0.00000 71 2PZ 0.00027 -0.00124 -0.00151 -0.00029 0.00000 72 3S 0.01262 -0.00127 0.00962 -0.00039 -0.00004 73 3PX -0.00356 -0.00142 0.00009 -0.00098 -0.00006 74 3PY -0.01640 0.00199 -0.01058 0.00302 -0.00001 75 3PZ 0.00197 -0.00483 -0.00484 -0.00248 0.00005 76 4XX 0.00004 -0.00009 -0.00019 0.00016 0.00000 77 4YY -0.00062 0.00005 -0.00056 0.00015 0.00000 78 4ZZ -0.00011 0.00011 -0.00017 -0.00006 0.00000 79 4XY 0.00000 0.00001 0.00010 0.00000 0.00000 80 4XZ 0.00000 0.00000 -0.00002 -0.00001 0.00000 81 4YZ -0.00001 0.00000 -0.00001 0.00000 0.00000 82 9 H 1S 0.00021 0.00022 -0.00007 0.00011 0.00000 83 2S 0.00178 0.00190 -0.00023 0.00035 0.00004 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S -0.00015 0.00000 -0.00010 -0.00019 0.00000 86 2PX -0.00017 -0.00053 0.00037 -0.00080 0.00000 87 2PY -0.00004 -0.00022 0.00003 -0.00008 0.00000 88 2PZ -0.00040 -0.00056 0.00002 -0.00077 0.00000 89 3S -0.00079 -0.00069 -0.00029 -0.00045 0.00000 90 3PX -0.00156 -0.00149 0.00180 -0.00467 -0.00001 91 3PY -0.00041 -0.00149 0.00008 -0.00119 -0.00001 92 3PZ -0.00183 -0.00411 0.00119 -0.00299 -0.00002 93 4XX 0.00000 0.00000 0.00000 0.00001 0.00000 94 4YY 0.00001 0.00000 0.00000 0.00000 0.00000 95 4ZZ 0.00000 0.00001 -0.00001 0.00001 0.00000 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00001 0.00000 98 4YZ 0.00001 -0.00001 0.00000 0.00001 0.00000 99 11 C 1S 0.00000 0.00001 -0.00001 0.00000 0.00000 100 2S -0.00024 -0.00037 -0.00005 -0.00029 0.00000 101 2PX -0.00001 -0.00015 0.00030 -0.00014 0.00000 102 2PY -0.00053 -0.00023 -0.00029 -0.00013 0.00000 103 2PZ 0.00006 -0.00034 0.00025 0.00002 0.00000 104 3S -0.00063 0.00011 -0.00066 -0.00048 0.00001 105 3PX -0.00028 -0.00120 0.00185 -0.00121 -0.00002 106 3PY -0.00030 0.00116 -0.00036 0.00043 0.00003 107 3PZ 0.00002 -0.00058 0.00013 -0.00007 0.00000 108 4XX 0.00000 0.00001 0.00000 0.00003 0.00000 109 4YY 0.00002 -0.00002 0.00003 -0.00001 0.00000 110 4ZZ 0.00000 0.00004 -0.00003 0.00001 0.00000 111 4XY 0.00000 0.00001 0.00000 0.00001 0.00000 112 4XZ 0.00001 0.00005 -0.00003 0.00001 0.00000 113 4YZ 0.00001 0.00001 0.00000 0.00000 0.00000 114 12 C 1S 0.00000 0.00001 0.00000 0.00000 0.00000 115 2S -0.00006 -0.00045 0.00004 -0.00001 0.00000 116 2PX -0.00015 -0.00059 -0.00006 -0.00002 0.00000 117 2PY -0.00004 -0.00004 -0.00001 -0.00001 0.00000 118 2PZ 0.00001 0.00003 0.00000 -0.00002 0.00000 119 3S -0.00107 -0.00499 0.00095 -0.00021 -0.00001 120 3PX -0.00023 -0.00060 -0.00019 -0.00001 0.00002 121 3PY -0.00032 0.00039 -0.00007 -0.00001 0.00000 122 3PZ 0.00008 0.00016 -0.00002 -0.00026 0.00000 123 4XX 0.00001 0.00003 0.00000 0.00000 0.00000 124 4YY 0.00000 -0.00001 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 -0.00001 0.00000 0.00000 126 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00001 0.00004 0.00000 0.00000 0.00000 130 2S -0.00039 -0.00054 -0.00001 -0.00004 0.00000 131 2PX -0.00103 -0.00093 -0.00007 -0.00012 0.00001 132 2PY 0.00001 -0.00001 -0.00005 0.00000 0.00000 133 2PZ -0.00005 -0.00001 0.00000 -0.00009 0.00000 134 3S -0.00286 -0.00326 -0.00007 -0.00021 0.00002 135 3PX -0.00331 0.00013 -0.00011 -0.00021 0.00011 136 3PY 0.00010 0.00014 -0.00044 0.00001 0.00000 137 3PZ -0.00013 -0.00007 0.00000 -0.00061 0.00001 138 4XX 0.00014 0.00044 0.00001 0.00003 0.00000 139 4YY -0.00001 -0.00009 0.00000 0.00000 0.00000 140 4ZZ -0.00003 -0.00011 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 -0.00001 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 0.00014 0.00009 0.00000 0.00002 0.00000 145 2S -0.00004 -0.00126 -0.00033 0.00072 0.00003 146 2PX 0.00261 0.00616 0.00210 0.00580 0.00008 147 2PY 0.00095 0.00128 0.00017 0.00057 0.00002 148 2PZ -0.00004 0.00484 0.00095 0.00028 0.00007 149 3S 0.00281 -0.00116 -0.00008 0.00367 0.00050 150 3PX 0.00467 0.00921 0.00428 0.01035 0.00053 151 3PY 0.00185 0.00120 -0.00005 0.00121 0.00019 152 3PZ 0.00257 0.00994 0.00215 -0.00078 0.00046 153 4XX 0.00019 0.00050 0.00013 0.00022 0.00000 154 4YY -0.00014 -0.00024 0.00000 -0.00005 0.00000 155 4ZZ 0.00001 0.00010 -0.00004 -0.00002 0.00000 156 4XY 0.00002 0.00004 0.00000 0.00004 0.00000 157 4XZ 0.00013 0.00025 0.00005 0.00003 0.00000 158 4YZ 0.00000 0.00006 -0.00001 0.00000 0.00000 159 15 C 1S 0.00001 0.00002 0.00000 0.00004 0.00000 160 2S 0.00008 -0.00065 0.00000 -0.00032 0.00000 161 2PX -0.00034 -0.00035 0.00000 -0.00045 0.00000 162 2PY 0.00000 0.00000 -0.00004 0.00000 0.00000 163 2PZ 0.00017 -0.00158 -0.00001 0.00009 0.00000 164 3S 0.00047 0.00174 0.00000 0.00066 -0.00004 165 3PX -0.00225 -0.00124 0.00000 -0.00274 0.00004 166 3PY 0.00000 0.00000 -0.00020 0.00000 0.00000 167 3PZ -0.00168 -0.00234 -0.00001 -0.00122 -0.00005 168 4XX 0.00000 0.00000 0.00000 -0.00003 0.00000 169 4YY -0.00002 -0.00003 0.00000 -0.00004 0.00000 170 4ZZ 0.00006 0.00014 0.00000 0.00012 0.00000 171 4XY 0.00000 0.00000 0.00002 0.00000 0.00000 172 4XZ 0.00002 0.00005 0.00000 0.00010 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00001 0.00000 175 2S 0.00012 -0.00010 0.00017 0.00006 0.00000 176 17 H 1S 0.00001 0.00000 0.00003 0.00000 0.00000 177 2S 0.00040 0.00007 0.00037 0.00002 0.00000 178 18 H 1S 0.00002 0.00001 -0.00003 0.00000 0.00000 179 2S 0.00031 0.00085 -0.00059 -0.00014 0.00000 180 19 H 1S -0.00045 -0.00048 -0.00014 0.00009 0.00000 181 2S -0.00210 -0.00172 -0.00057 0.00049 -0.00004 182 20 H 1S -0.00045 -0.00066 0.00017 -0.00012 0.00000 183 2S -0.00291 -0.00300 0.00034 -0.00089 -0.00003 184 21 H 1S -0.00001 0.00003 0.00001 -0.00004 0.00000 185 2S -0.00029 0.00045 0.00014 -0.00034 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00004 0.00029 0.00001 0.00002 0.00000 188 23 H 1S 0.00001 0.00003 0.00000 0.00000 0.00000 189 2S 0.00046 0.00124 0.00011 0.00012 0.00000 11 12 13 14 15 11 4YY 0.00122 12 4ZZ -0.00012 0.00177 13 4XY 0.00000 0.00000 0.00157 14 4XZ 0.00000 0.00000 0.00000 0.00159 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00181 16 2 C 1S -0.00028 0.00000 0.00000 0.00000 0.00000 17 2S 0.00372 -0.00072 0.00000 0.00000 0.00000 18 2PX 0.00000 0.00000 0.00216 0.00000 0.00000 19 2PY 0.00305 -0.00139 0.00000 0.00000 0.00000 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.00225 21 3S 0.00373 -0.00221 0.00000 0.00000 0.00000 22 3PX 0.00000 0.00000 0.00129 0.00000 0.00000 23 3PY 0.00134 -0.00081 0.00000 0.00000 0.00000 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.00098 25 4XX -0.00004 0.00000 0.00000 0.00000 0.00000 26 4YY -0.00006 -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 -0.00001 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 0.00001 0.00002 0.00001 0.00002 33 2PX -0.00003 0.00003 0.00007 0.00008 0.00005 34 2PY 0.00000 0.00001 0.00000 -0.00001 0.00000 35 2PZ -0.00001 0.00001 0.00002 0.00002 0.00001 36 3S -0.00010 0.00006 0.00006 -0.00004 0.00007 37 3PX -0.00021 0.00050 0.00013 0.00005 0.00004 38 3PY 0.00003 -0.00001 -0.00008 -0.00009 -0.00004 39 3PZ -0.00006 -0.00011 0.00001 0.00000 0.00000 40 4XX 0.00000 0.00001 0.00001 0.00002 0.00000 41 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 42 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 43 4XY 0.00000 0.00000 0.00000 0.00001 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 -0.00005 -0.00009 -0.00003 47 2S -0.00019 0.00021 0.00087 0.00166 0.00057 48 2PX -0.00052 0.00162 0.00035 0.00279 0.00102 49 2PY 0.00017 0.00032 0.00028 0.00123 0.00016 50 2PZ -0.00025 -0.00069 0.00138 0.00027 0.00003 51 3S -0.00005 0.00061 0.00101 0.00119 0.00077 52 3PX -0.00162 0.00391 -0.00001 0.00080 0.00057 53 3PY -0.00053 0.00066 0.00077 0.00085 0.00048 54 3PZ -0.00071 -0.00229 0.00089 -0.00001 0.00000 55 4XX -0.00001 0.00005 0.00002 0.00001 -0.00002 56 4YY -0.00004 0.00003 0.00002 0.00010 0.00001 57 4ZZ 0.00000 -0.00003 0.00002 -0.00002 -0.00001 58 4XY 0.00000 0.00004 0.00000 0.00011 -0.00003 59 4XZ -0.00003 0.00000 0.00003 0.00007 0.00000 60 4YZ 0.00000 -0.00003 -0.00002 0.00002 0.00000 61 5 H 1S -0.00041 0.00210 0.00064 0.00044 0.00359 62 2S -0.00056 0.00337 0.00014 0.00008 0.00064 63 6 H 1S 0.00001 0.00001 0.00001 0.00000 0.00004 64 2S -0.00032 0.00033 0.00001 0.00001 0.00022 65 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 0.00009 0.00002 0.00001 -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 0.00001 0.00000 0.00001 0.00000 0.00000 72 3S 0.00013 -0.00001 -0.00002 -0.00004 0.00002 73 3PX 0.00010 0.00010 0.00006 0.00000 0.00008 74 3PY 0.00038 -0.00004 0.00008 -0.00004 0.00013 75 3PZ 0.00007 -0.00003 0.00006 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 0.00001 0.00000 0.00001 0.00000 0.00000 82 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 83 2S 0.00001 -0.00007 -0.00001 -0.00002 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 0.00001 0.00000 -0.00001 0.00000 90 3PX 0.00000 0.00006 -0.00001 0.00000 -0.00001 91 3PY 0.00000 0.00001 0.00000 -0.00001 0.00000 92 3PZ -0.00001 0.00005 0.00000 -0.00001 -0.00001 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 0.00000 0.00000 0.00000 0.00001 105 3PX 0.00001 0.00001 0.00006 -0.00002 0.00006 106 3PY 0.00001 -0.00002 0.00002 0.00001 0.00001 107 3PZ 0.00000 0.00000 0.00004 0.00000 0.00001 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 -0.00001 0.00000 0.00000 120 3PX -0.00001 0.00000 0.00000 0.00000 0.00000 121 3PY 0.00000 0.00000 0.00001 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 0.00001 0.00000 0.00001 0.00000 135 3PX 0.00001 -0.00002 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 0.00001 0.00003 0.00001 146 2PX -0.00001 -0.00002 0.00002 0.00011 0.00001 147 2PY 0.00000 0.00000 0.00000 0.00001 0.00000 148 2PZ 0.00000 -0.00001 0.00001 0.00003 0.00000 149 3S -0.00008 -0.00023 -0.00001 0.00008 0.00002 150 3PX -0.00013 -0.00020 0.00005 0.00028 0.00007 151 3PY -0.00002 -0.00011 0.00004 0.00004 0.00000 152 3PZ -0.00009 -0.00011 0.00003 0.00003 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 0.00001 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00001 0.00000 164 3S 0.00000 0.00007 0.00000 0.00000 0.00000 165 3PX -0.00003 0.00008 0.00000 0.00008 0.00000 166 3PY 0.00000 0.00000 -0.00001 0.00000 -0.00002 167 3PZ -0.00002 0.00014 0.00000 0.00008 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 0.00000 0.00002 0.00000 0.00002 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 2.05261 17 2S -0.01388 0.33257 18 2PX 0.00000 0.00000 0.35371 19 2PY 0.00000 0.00000 0.00000 0.42805 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.37249 21 3S -0.03169 0.22153 0.00000 0.00000 0.00000 22 3PX 0.00000 0.00000 0.10356 0.00000 0.00000 23 3PY 0.00000 0.00000 0.00000 0.06761 0.00000 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.08662 25 4XX -0.00098 -0.00823 0.00000 0.00000 0.00000 26 4YY -0.00136 -0.00089 0.00000 0.00000 0.00000 27 4ZZ -0.00119 -0.00395 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 -0.00017 -0.00052 -0.00020 0.00001 33 2PX 0.00000 -0.00050 -0.00057 -0.00023 -0.00040 34 2PY 0.00000 -0.00005 -0.00033 -0.00001 -0.00024 35 2PZ 0.00000 -0.00019 -0.00046 -0.00005 0.00001 36 3S 0.00010 -0.00108 -0.00375 -0.00142 -0.00004 37 3PX 0.00029 -0.00351 0.00031 -0.00101 -0.00346 38 3PY 0.00003 -0.00050 -0.00201 -0.00009 -0.00105 39 3PZ 0.00009 -0.00101 -0.00139 -0.00016 0.00004 40 4XX 0.00000 0.00003 0.00016 -0.00002 0.00008 41 4YY 0.00000 -0.00002 -0.00007 0.00000 -0.00003 42 4ZZ 0.00000 0.00002 0.00010 -0.00001 0.00001 43 4XY 0.00000 0.00001 0.00001 0.00000 0.00002 44 4XZ 0.00000 0.00002 0.00013 0.00001 0.00003 45 4YZ 0.00000 0.00000 0.00006 0.00000 0.00000 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 -0.00004 0.00007 -0.00016 -0.00005 49 2PY 0.00000 -0.00017 -0.00008 -0.00034 -0.00005 50 2PZ 0.00000 0.00001 -0.00008 -0.00013 0.00003 51 3S -0.00001 -0.00010 -0.00115 0.00120 -0.00084 52 3PX 0.00003 -0.00090 0.00052 -0.00165 -0.00102 53 3PY 0.00012 -0.00335 -0.00153 -0.00361 -0.00042 54 3PZ -0.00001 0.00029 -0.00155 -0.00159 -0.00018 55 4XX 0.00000 0.00000 -0.00001 -0.00004 0.00002 56 4YY 0.00000 -0.00003 -0.00001 -0.00006 0.00001 57 4ZZ 0.00000 0.00000 0.00002 -0.00002 0.00000 58 4XY 0.00000 0.00002 0.00002 0.00012 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00001 0.00000 60 4YZ 0.00000 0.00001 0.00001 0.00006 0.00000 61 5 H 1S 0.00000 -0.00021 -0.00002 -0.00048 0.00001 62 2S 0.00025 -0.00404 -0.00034 -0.00663 -0.00022 63 6 H 1S -0.00228 0.03690 0.00793 0.03847 0.05132 64 2S -0.00156 0.01879 0.00288 0.02290 0.03190 65 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 -0.00004 0.00100 0.00005 -0.00012 67 8 O 1S 0.00000 -0.00007 -0.00042 -0.00007 -0.00030 68 2S -0.00002 0.00123 0.00793 0.00179 0.00540 69 2PX -0.00023 0.01163 0.01476 0.00636 0.01937 70 2PY -0.00005 0.00233 0.00492 -0.00073 0.00370 71 2PZ -0.00013 0.00563 0.02017 0.00360 0.00309 72 3S 0.00037 -0.00405 0.00779 -0.00266 0.00958 73 3PX -0.00205 0.02126 0.00872 0.00721 0.01956 74 3PY -0.00079 0.00710 0.00656 -0.00457 0.00651 75 3PZ -0.00126 0.01050 0.02145 0.00438 -0.00174 76 4XX -0.00006 0.00082 -0.00105 0.00079 0.00109 77 4YY -0.00001 0.00013 0.00047 0.00000 0.00044 78 4ZZ -0.00002 0.00024 0.00134 0.00049 -0.00045 79 4XY -0.00007 0.00081 0.00074 0.00022 0.00104 80 4XZ -0.00016 0.00148 0.00068 0.00040 0.00008 81 4YZ -0.00005 0.00045 0.00134 0.00014 0.00010 82 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 83 2S -0.00001 0.00018 0.00049 0.00002 0.00017 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00000 -0.00001 0.00000 -0.00002 86 2PX 0.00000 -0.00001 -0.00002 0.00000 0.00000 87 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 2PZ 0.00000 -0.00002 -0.00004 0.00000 -0.00004 89 3S 0.00000 -0.00003 0.00036 0.00000 0.00011 90 3PX 0.00002 -0.00059 -0.00051 0.00000 -0.00063 91 3PY 0.00000 0.00000 0.00000 0.00009 0.00000 92 3PZ 0.00002 -0.00062 -0.00031 0.00000 -0.00069 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 0.00001 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 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 -0.00009 0.00003 -0.00002 0.00007 101 2PX 0.00000 0.00020 0.00187 0.00023 0.00122 102 2PY 0.00000 0.00001 0.00027 -0.00001 0.00012 103 2PZ 0.00000 0.00006 0.00077 0.00006 0.00032 104 3S 0.00005 -0.00009 -0.00022 -0.00008 0.00158 105 3PX 0.00000 0.00035 0.00670 0.00092 0.00586 106 3PY -0.00001 0.00032 0.00053 0.00001 0.00076 107 3PZ -0.00008 0.00091 0.00443 0.00082 0.00060 108 4XX 0.00000 0.00002 0.00007 0.00002 0.00005 109 4YY 0.00000 0.00000 -0.00001 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00001 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00002 0.00000 0.00001 112 4XZ 0.00000 0.00003 0.00011 0.00002 0.00002 113 4YZ 0.00000 0.00000 0.00001 0.00000 0.00001 114 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 -0.00003 0.00000 0.00000 116 2PX 0.00000 -0.00002 -0.00009 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 -0.00057 -0.00076 -0.00002 -0.00003 120 3PX 0.00005 -0.00086 -0.00005 -0.00002 -0.00005 121 3PY 0.00000 0.00001 0.00006 -0.00012 0.00000 122 3PZ 0.00000 -0.00002 -0.00003 0.00000 -0.00015 123 4XX 0.00000 0.00000 0.00002 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 -0.00001 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 -0.00005 -0.00069 0.00006 -0.00003 135 3PX 0.00000 0.00000 -0.00016 -0.00001 0.00000 136 3PY 0.00000 0.00001 0.00000 -0.00002 0.00001 137 3PZ 0.00000 0.00001 0.00003 0.00000 -0.00005 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 -0.00003 0.00006 -0.00004 -0.00007 150 3PX 0.00001 -0.00021 -0.00027 -0.00041 -0.00043 151 3PY 0.00000 -0.00001 0.00037 0.00007 0.00017 152 3PZ 0.00000 -0.00009 0.00001 -0.00034 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 -0.00001 0.00000 -0.00002 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 -0.00001 0.00000 -0.00001 164 3S 0.00000 0.00000 -0.00010 -0.00008 -0.00011 165 3PX 0.00001 -0.00029 -0.00048 0.00014 -0.00123 166 3PY 0.00000 -0.00003 -0.00026 0.00002 -0.00039 167 3PZ 0.00001 -0.00023 -0.00085 0.00001 -0.00083 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 0.00001 0.00003 0.00000 0.00005 176 17 H 1S 0.00000 0.00000 -0.00001 -0.00001 0.00000 177 2S 0.00001 -0.00014 -0.00057 -0.00047 -0.00021 178 18 H 1S 0.00000 0.00000 -0.00001 0.00000 0.00000 179 2S 0.00000 -0.00009 -0.00046 0.00000 0.00016 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00002 0.00008 -0.00003 -0.00002 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00001 0.00000 0.00004 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00002 0.00011 0.00000 0.00001 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 0.29973 22 3PX 0.00000 0.12473 23 3PY 0.00000 0.00000 0.05430 24 3PZ 0.00000 0.00000 0.00000 0.08174 25 4XX -0.00569 0.00000 0.00000 0.00000 0.00257 26 4YY -0.00013 0.00000 0.00000 0.00000 -0.00022 27 4ZZ -0.00315 0.00000 0.00000 0.00000 -0.00017 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 0.00007 0.00024 0.00007 -0.00002 0.00000 32 2S -0.00077 -0.00343 -0.00115 0.00097 0.00004 33 2PX -0.00349 -0.00246 -0.00025 -0.00079 0.00014 34 2PY 0.00049 -0.00178 -0.00087 -0.00083 0.00003 35 2PZ -0.00159 -0.00220 0.00017 0.00003 0.00005 36 3S 0.00114 -0.00718 -0.00271 0.00296 0.00005 37 3PX -0.00871 0.00157 0.00029 -0.00415 0.00006 38 3PY 0.00058 -0.00176 0.00005 -0.00046 -0.00002 39 3PZ -0.00128 -0.00325 -0.00026 -0.00045 0.00043 40 4XX -0.00025 0.00049 0.00008 0.00008 -0.00001 41 4YY -0.00017 -0.00061 0.00004 -0.00019 0.00000 42 4ZZ 0.00033 0.00059 -0.00007 0.00004 0.00000 43 4XY 0.00002 -0.00015 -0.00008 -0.00007 0.00000 44 4XZ 0.00006 0.00008 -0.00003 0.00001 0.00002 45 4YZ 0.00002 0.00010 -0.00002 0.00000 0.00001 46 4 O 1S -0.00013 0.00000 -0.00014 -0.00001 0.00000 47 2S 0.00200 0.00009 0.00147 0.00034 0.00000 48 2PX -0.00074 0.00019 -0.00020 -0.00007 0.00000 49 2PY -0.00427 0.00105 -0.00423 0.00087 0.00000 50 2PZ 0.00027 -0.00124 -0.00151 -0.00029 0.00000 51 3S 0.01262 -0.00127 0.00962 -0.00039 -0.00004 52 3PX -0.00356 -0.00142 0.00009 -0.00098 -0.00006 53 3PY -0.01640 0.00199 -0.01059 0.00303 -0.00001 54 3PZ 0.00197 -0.00482 -0.00484 -0.00248 0.00005 55 4XX 0.00004 -0.00009 -0.00019 0.00016 0.00000 56 4YY -0.00062 0.00005 -0.00056 0.00015 0.00000 57 4ZZ -0.00011 0.00011 -0.00017 -0.00006 0.00000 58 4XY 0.00000 0.00001 0.00010 0.00000 0.00000 59 4XZ 0.00000 0.00000 -0.00002 -0.00001 0.00000 60 4YZ -0.00001 0.00000 -0.00001 0.00000 0.00000 61 5 H 1S -0.00438 -0.00015 -0.00396 0.00001 0.00000 62 2S -0.01600 -0.00044 -0.00968 0.00022 0.00021 63 6 H 1S 0.05109 0.00330 0.01136 0.02349 -0.00138 64 2S 0.03020 -0.00079 0.00772 0.02377 -0.00261 65 7 H 1S -0.00005 0.00032 0.00003 0.00001 0.00000 66 2S -0.00222 0.00603 0.00084 -0.00068 -0.00023 67 8 O 1S 0.00133 0.00029 -0.00027 0.00044 -0.00004 68 2S -0.02021 -0.00428 0.00287 -0.00588 0.00111 69 2PX 0.00349 0.00051 0.00069 0.00347 -0.00088 70 2PY 0.00289 -0.00129 0.00461 0.00029 0.00079 71 2PZ 0.00684 0.00776 0.00155 -0.00120 0.00394 72 3S -0.06296 -0.01155 0.00244 -0.01076 0.00123 73 3PX 0.00095 -0.00193 -0.00011 0.00196 -0.00176 74 3PY 0.00839 -0.00310 0.01104 0.00114 0.00111 75 3PZ 0.01610 0.00886 0.00298 -0.00697 0.00637 76 4XX 0.00153 -0.00127 0.00052 0.00104 -0.00004 77 4YY 0.00058 -0.00036 -0.00023 0.00029 0.00008 78 4ZZ 0.00101 0.00207 0.00016 -0.00055 0.00009 79 4XY 0.00017 0.00001 0.00020 0.00006 -0.00006 80 4XZ 0.00042 0.00000 0.00004 0.00005 -0.00001 81 4YZ 0.00017 0.00020 0.00012 0.00001 0.00018 82 9 H 1S 0.00021 0.00022 -0.00007 0.00011 0.00000 83 2S 0.00178 0.00190 -0.00023 0.00034 0.00004 84 10 C 1S 0.00001 0.00002 0.00000 0.00004 0.00000 85 2S 0.00008 -0.00065 0.00000 -0.00032 0.00000 86 2PX -0.00033 -0.00035 0.00000 -0.00045 0.00000 87 2PY 0.00000 0.00000 -0.00004 0.00000 0.00000 88 2PZ 0.00017 -0.00157 -0.00001 0.00009 0.00000 89 3S 0.00047 0.00174 0.00000 0.00066 -0.00004 90 3PX -0.00225 -0.00124 0.00000 -0.00274 0.00004 91 3PY 0.00000 0.00000 -0.00020 0.00000 0.00000 92 3PZ -0.00168 -0.00234 -0.00001 -0.00122 -0.00005 93 4XX 0.00000 0.00000 0.00000 -0.00003 0.00000 94 4YY -0.00002 -0.00003 0.00000 -0.00004 0.00000 95 4ZZ 0.00006 0.00014 0.00000 0.00012 0.00000 96 4XY 0.00000 0.00000 0.00002 0.00000 0.00000 97 4XZ 0.00002 0.00005 0.00000 0.00010 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00014 0.00009 0.00000 0.00002 0.00000 100 2S -0.00004 -0.00126 -0.00033 0.00072 0.00003 101 2PX 0.00261 0.00615 0.00210 0.00580 0.00008 102 2PY 0.00094 0.00128 0.00017 0.00057 0.00002 103 2PZ -0.00004 0.00484 0.00095 0.00028 0.00007 104 3S 0.00281 -0.00116 -0.00008 0.00366 0.00050 105 3PX 0.00467 0.00921 0.00427 0.01035 0.00053 106 3PY 0.00185 0.00120 -0.00005 0.00121 0.00019 107 3PZ 0.00257 0.00994 0.00215 -0.00078 0.00046 108 4XX 0.00019 0.00050 0.00013 0.00022 0.00000 109 4YY -0.00014 -0.00024 0.00000 -0.00005 0.00000 110 4ZZ 0.00001 0.00010 -0.00004 -0.00002 0.00000 111 4XY 0.00002 0.00004 0.00000 0.00004 0.00000 112 4XZ 0.00013 0.00025 0.00005 0.00003 0.00000 113 4YZ 0.00000 0.00006 -0.00001 0.00000 0.00000 114 12 C 1S 0.00001 0.00004 0.00000 0.00000 0.00000 115 2S -0.00039 -0.00054 -0.00001 -0.00004 0.00000 116 2PX -0.00103 -0.00093 -0.00007 -0.00012 0.00001 117 2PY 0.00001 -0.00001 -0.00005 0.00000 0.00000 118 2PZ -0.00005 -0.00001 0.00000 -0.00009 0.00000 119 3S -0.00286 -0.00326 -0.00007 -0.00021 0.00002 120 3PX -0.00331 0.00013 -0.00011 -0.00021 0.00011 121 3PY 0.00010 0.00014 -0.00044 0.00001 0.00000 122 3PZ -0.00013 -0.00007 0.00000 -0.00061 0.00001 123 4XX 0.00014 0.00044 0.00001 0.00003 0.00000 124 4YY -0.00001 -0.00009 0.00000 0.00000 0.00000 125 4ZZ -0.00003 -0.00011 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 -0.00001 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 0.00001 0.00000 0.00000 0.00000 130 2S -0.00006 -0.00045 0.00004 -0.00001 0.00000 131 2PX -0.00015 -0.00059 -0.00006 -0.00002 0.00000 132 2PY -0.00004 -0.00004 -0.00001 -0.00001 0.00000 133 2PZ 0.00001 0.00003 0.00000 -0.00002 0.00000 134 3S -0.00107 -0.00499 0.00095 -0.00021 -0.00001 135 3PX -0.00024 -0.00061 -0.00019 -0.00001 0.00002 136 3PY -0.00032 0.00039 -0.00007 -0.00001 0.00000 137 3PZ 0.00008 0.00016 -0.00002 -0.00026 0.00000 138 4XX 0.00001 0.00003 0.00000 0.00000 0.00000 139 4YY 0.00000 -0.00001 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 -0.00001 0.00000 0.00000 141 4XY 0.00000 0.00001 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 0.00001 -0.00001 0.00000 0.00000 145 2S -0.00024 -0.00037 -0.00005 -0.00029 0.00000 146 2PX -0.00001 -0.00015 0.00030 -0.00014 0.00000 147 2PY -0.00053 -0.00023 -0.00029 -0.00013 0.00000 148 2PZ 0.00006 -0.00034 0.00025 0.00002 0.00000 149 3S -0.00063 0.00011 -0.00066 -0.00048 0.00001 150 3PX -0.00028 -0.00120 0.00185 -0.00121 -0.00002 151 3PY -0.00030 0.00116 -0.00036 0.00043 0.00003 152 3PZ 0.00002 -0.00058 0.00013 -0.00008 0.00000 153 4XX 0.00000 0.00001 0.00000 0.00003 0.00000 154 4YY 0.00002 -0.00002 0.00003 -0.00001 0.00000 155 4ZZ 0.00000 0.00004 -0.00003 0.00001 0.00000 156 4XY 0.00000 0.00001 0.00000 0.00001 0.00000 157 4XZ 0.00001 0.00005 -0.00003 0.00001 0.00000 158 4YZ 0.00001 0.00001 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S -0.00015 0.00000 -0.00010 -0.00019 0.00000 161 2PX -0.00017 -0.00053 0.00037 -0.00080 0.00000 162 2PY -0.00004 -0.00022 0.00003 -0.00008 0.00000 163 2PZ -0.00040 -0.00056 0.00002 -0.00077 0.00000 164 3S -0.00079 -0.00069 -0.00029 -0.00045 0.00000 165 3PX -0.00156 -0.00149 0.00180 -0.00467 -0.00001 166 3PY -0.00041 -0.00149 0.00008 -0.00119 -0.00001 167 3PZ -0.00183 -0.00410 0.00119 -0.00299 -0.00002 168 4XX 0.00000 0.00000 0.00000 0.00001 0.00000 169 4YY 0.00001 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00001 -0.00001 0.00001 0.00000 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 0.00001 -0.00001 0.00000 0.00001 0.00000 174 16 H 1S -0.00001 0.00003 0.00001 -0.00004 0.00000 175 2S -0.00029 0.00045 0.00014 -0.00034 0.00000 176 17 H 1S -0.00045 -0.00066 0.00017 -0.00012 0.00000 177 2S -0.00291 -0.00300 0.00034 -0.00089 -0.00003 178 18 H 1S -0.00045 -0.00048 -0.00014 0.00009 0.00000 179 2S -0.00210 -0.00172 -0.00058 0.00049 -0.00004 180 19 H 1S 0.00002 0.00001 -0.00003 0.00000 0.00000 181 2S 0.00031 0.00085 -0.00059 -0.00014 0.00000 182 20 H 1S 0.00001 0.00000 0.00003 0.00000 0.00000 183 2S 0.00040 0.00007 0.00037 0.00002 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00001 0.00000 185 2S 0.00012 -0.00010 0.00017 0.00006 0.00000 186 22 H 1S 0.00001 0.00003 0.00000 0.00000 0.00000 187 2S 0.00046 0.00124 0.00011 0.00012 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00004 0.00029 0.00001 0.00002 0.00000 26 27 28 29 30 26 4YY 0.00122 27 4ZZ -0.00012 0.00177 28 4XY 0.00000 0.00000 0.00157 29 4XZ 0.00000 0.00000 0.00000 0.00159 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00181 31 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 32 2S -0.00001 0.00001 0.00002 0.00001 0.00002 33 2PX -0.00003 0.00003 0.00007 0.00008 0.00005 34 2PY 0.00000 0.00001 0.00000 -0.00001 0.00000 35 2PZ -0.00001 0.00001 0.00002 0.00002 0.00001 36 3S -0.00010 0.00006 0.00006 -0.00004 0.00007 37 3PX -0.00021 0.00050 0.00013 0.00005 0.00004 38 3PY 0.00003 -0.00001 -0.00008 -0.00009 -0.00004 39 3PZ -0.00006 -0.00011 0.00001 0.00000 0.00000 40 4XX 0.00000 0.00001 0.00001 0.00002 0.00000 41 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 42 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 43 4XY 0.00000 0.00000 0.00000 0.00001 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 0.00000 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 0.00001 0.00000 0.00001 0.00000 0.00000 51 3S 0.00013 -0.00001 -0.00002 -0.00004 0.00002 52 3PX 0.00010 0.00010 0.00006 0.00000 0.00008 53 3PY 0.00038 -0.00004 0.00008 -0.00004 0.00013 54 3PZ 0.00007 -0.00003 0.00006 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 0.00001 0.00000 0.00001 0.00000 0.00000 61 5 H 1S 0.00001 0.00001 0.00001 0.00000 0.00004 62 2S -0.00032 0.00033 0.00001 0.00001 0.00022 63 6 H 1S -0.00041 0.00209 0.00064 0.00044 0.00359 64 2S -0.00056 0.00337 0.00014 0.00008 0.00064 65 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 0.00009 0.00002 0.00001 -0.00001 67 8 O 1S 0.00000 -0.00001 -0.00005 -0.00009 -0.00003 68 2S -0.00019 0.00021 0.00087 0.00166 0.00057 69 2PX -0.00052 0.00162 0.00035 0.00279 0.00102 70 2PY 0.00017 0.00032 0.00028 0.00123 0.00016 71 2PZ -0.00025 -0.00069 0.00138 0.00027 0.00003 72 3S -0.00005 0.00061 0.00101 0.00119 0.00077 73 3PX -0.00162 0.00391 -0.00001 0.00080 0.00057 74 3PY -0.00053 0.00066 0.00077 0.00085 0.00048 75 3PZ -0.00071 -0.00229 0.00089 -0.00001 0.00000 76 4XX -0.00001 0.00005 0.00002 0.00001 -0.00002 77 4YY -0.00004 0.00003 0.00002 0.00010 0.00001 78 4ZZ 0.00000 -0.00003 0.00002 -0.00002 -0.00001 79 4XY 0.00000 0.00004 0.00000 0.00011 -0.00003 80 4XZ -0.00003 0.00000 0.00003 0.00007 0.00000 81 4YZ 0.00000 -0.00003 -0.00002 0.00002 0.00000 82 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 83 2S 0.00001 -0.00007 -0.00001 -0.00002 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 0.00001 0.00000 87 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00000 0.00000 0.00001 0.00000 89 3S 0.00000 0.00007 0.00000 0.00000 0.00000 90 3PX -0.00003 0.00008 0.00000 0.00008 0.00000 91 3PY 0.00000 0.00000 -0.00001 0.00000 -0.00002 92 3PZ -0.00002 0.00014 0.00000 0.00008 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 0.00003 0.00001 101 2PX -0.00001 -0.00002 0.00002 0.00011 0.00001 102 2PY 0.00000 0.00000 0.00000 0.00001 0.00000 103 2PZ 0.00000 -0.00001 0.00001 0.00003 0.00000 104 3S -0.00008 -0.00023 -0.00001 0.00008 0.00002 105 3PX -0.00013 -0.00020 0.00005 0.00028 0.00007 106 3PY -0.00002 -0.00011 0.00004 0.00004 0.00000 107 3PZ -0.00009 -0.00011 0.00003 0.00003 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 0.00000 0.00001 0.00000 120 3PX 0.00001 -0.00002 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 0.00001 -0.00001 0.00000 0.00000 135 3PX -0.00001 0.00000 0.00000 0.00000 0.00000 136 3PY 0.00000 0.00000 0.00001 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00001 0.00000 0.00000 0.00000 0.00001 150 3PX 0.00001 0.00001 0.00006 -0.00002 0.00006 151 3PY 0.00001 -0.00002 0.00002 0.00001 0.00001 152 3PZ 0.00000 0.00000 0.00004 0.00000 0.00001 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 0.00001 0.00000 -0.00001 0.00000 165 3PX 0.00000 0.00006 -0.00001 0.00000 -0.00001 166 3PY 0.00000 0.00001 0.00000 -0.00001 0.00000 167 3PZ -0.00001 0.00005 0.00000 -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 0.00000 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 0.00000 0.00002 0.00000 0.00002 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 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 2.04988 32 2S -0.01438 0.34507 33 2PX 0.00000 0.00000 0.38992 34 2PY 0.00000 0.00000 0.00000 0.29478 35 2PZ 0.00000 0.00000 0.00000 0.00000 0.46072 36 3S -0.02752 0.21127 0.00000 0.00000 0.00000 37 3PX 0.00000 0.00000 0.07401 0.00000 0.00000 38 3PY 0.00000 0.00000 0.00000 0.04064 0.00000 39 3PZ 0.00000 0.00000 0.00000 0.00000 0.09175 40 4XX -0.00134 -0.00129 0.00000 0.00000 0.00000 41 4YY -0.00104 -0.00714 0.00000 0.00000 0.00000 42 4ZZ -0.00144 0.00069 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 -0.00002 -0.00021 -0.00042 -0.00003 47 2S -0.00001 0.00026 0.00431 0.00845 0.00060 48 2PX -0.00009 0.00486 0.00280 0.01806 0.00094 49 2PY -0.00022 0.01278 0.01955 0.02363 0.00265 50 2PZ -0.00001 0.00044 0.00092 0.00241 -0.00034 51 3S 0.00079 -0.01391 0.00530 0.00750 0.00095 52 3PX -0.00067 0.00714 -0.00185 0.01886 0.00035 53 3PY -0.00307 0.03007 0.02629 0.01948 0.00330 54 3PZ -0.00002 -0.00002 0.00031 0.00196 -0.00370 55 4XX -0.00001 0.00015 -0.00040 -0.00013 0.00004 56 4YY -0.00016 0.00282 0.00333 0.00188 0.00040 57 4ZZ 0.00000 -0.00022 -0.00025 -0.00030 0.00005 58 4XY -0.00013 0.00151 0.00008 0.00119 0.00022 59 4XZ 0.00000 0.00003 -0.00002 -0.00003 0.00046 60 4YZ -0.00001 0.00013 0.00010 -0.00003 0.00064 61 5 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 0.00019 0.00031 0.00014 0.00020 63 6 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 64 2S 0.00000 0.00019 0.00031 0.00014 0.00020 65 7 H 1S -0.00180 0.03145 0.06349 0.00000 0.03566 66 2S -0.00075 0.01103 0.03863 0.00000 0.02491 67 8 O 1S 0.00000 -0.00002 -0.00021 -0.00042 -0.00003 68 2S -0.00001 0.00026 0.00431 0.00845 0.00060 69 2PX -0.00009 0.00486 0.00280 0.01806 0.00094 70 2PY -0.00022 0.01278 0.01955 0.02363 0.00265 71 2PZ -0.00001 0.00044 0.00092 0.00241 -0.00034 72 3S 0.00079 -0.01391 0.00530 0.00750 0.00095 73 3PX -0.00067 0.00714 -0.00185 0.01886 0.00035 74 3PY -0.00307 0.03008 0.02629 0.01949 0.00330 75 3PZ -0.00002 -0.00002 0.00031 0.00196 -0.00369 76 4XX -0.00001 0.00015 -0.00040 -0.00013 0.00004 77 4YY -0.00016 0.00282 0.00333 0.00188 0.00040 78 4ZZ 0.00000 -0.00022 -0.00025 -0.00030 0.00005 79 4XY -0.00013 0.00151 0.00008 0.00119 0.00022 80 4XZ 0.00000 0.00003 -0.00002 -0.00003 0.00046 81 4YZ -0.00001 0.00013 0.00010 -0.00003 0.00064 82 9 H 1S -0.00195 0.03454 0.00450 0.00000 0.09811 83 2S -0.00120 0.01835 0.00137 0.00000 0.05859 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 -0.00001 90 3PX 0.00000 -0.00007 -0.00005 0.00001 -0.00001 91 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 92 3PZ 0.00000 -0.00001 -0.00001 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 0.00001 0.00001 0.00000 105 3PX 0.00000 0.00001 0.00002 0.00003 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 0.00001 0.00001 0.00000 150 3PX 0.00000 0.00001 0.00002 0.00003 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 -0.00001 165 3PX 0.00000 -0.00007 -0.00005 0.00001 -0.00001 166 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PZ 0.00000 -0.00001 -0.00001 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 0.00000 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 36 37 38 39 40 36 3S 0.23162 37 3PX 0.00000 0.05548 38 3PY 0.00000 0.00000 0.02777 39 3PZ 0.00000 0.00000 0.00000 0.06559 40 4XX 0.00000 0.00000 0.00000 0.00000 0.00243 41 4YY -0.00789 0.00000 0.00000 0.00000 -0.00038 42 4ZZ 0.00298 0.00000 0.00000 0.00000 -0.00021 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 0.00108 0.00011 -0.00016 0.00004 0.00001 47 2S -0.01635 -0.00140 0.00080 -0.00043 -0.00014 48 2PX 0.00313 -0.00042 0.00862 0.00130 -0.00045 49 2PY 0.01024 0.00691 0.00069 0.00105 0.00103 50 2PZ 0.00013 0.00126 0.00081 0.00482 0.00029 51 3S -0.06101 -0.00428 -0.00380 -0.00150 -0.00103 52 3PX 0.00328 -0.00003 0.01216 0.00206 -0.00174 53 3PY 0.02318 0.01058 -0.00008 0.00148 0.00219 54 3PZ -0.00068 0.00206 0.00064 0.01139 0.00082 55 4XX 0.00066 -0.00054 0.00009 -0.00001 0.00001 56 4YY 0.00293 0.00137 0.00025 0.00022 0.00016 57 4ZZ -0.00014 -0.00020 -0.00002 -0.00005 -0.00004 58 4XY 0.00051 0.00003 0.00008 0.00007 -0.00006 59 4XZ -0.00001 0.00001 -0.00003 0.00021 0.00000 60 4YZ 0.00005 0.00004 0.00001 0.00047 0.00000 61 5 H 1S 0.00014 0.00027 0.00014 -0.00003 0.00000 62 2S 0.00130 0.00224 0.00069 -0.00005 0.00003 63 6 H 1S 0.00014 0.00027 0.00014 -0.00003 0.00000 64 2S 0.00130 0.00224 0.00069 -0.00005 0.00003 65 7 H 1S 0.04236 0.02814 0.00000 0.01372 0.00400 66 2S 0.02201 0.01757 0.00000 0.00989 0.00634 67 8 O 1S 0.00108 0.00011 -0.00016 0.00004 0.00001 68 2S -0.01635 -0.00140 0.00080 -0.00043 -0.00014 69 2PX 0.00313 -0.00042 0.00862 0.00130 -0.00045 70 2PY 0.01024 0.00691 0.00069 0.00105 0.00103 71 2PZ 0.00013 0.00126 0.00081 0.00482 0.00029 72 3S -0.06101 -0.00428 -0.00380 -0.00150 -0.00103 73 3PX 0.00327 -0.00003 0.01216 0.00206 -0.00174 74 3PY 0.02319 0.01058 -0.00008 0.00148 0.00219 75 3PZ -0.00068 0.00206 0.00064 0.01139 0.00082 76 4XX 0.00066 -0.00054 0.00009 -0.00001 0.00001 77 4YY 0.00293 0.00137 0.00025 0.00022 0.00016 78 4ZZ -0.00014 -0.00020 -0.00002 -0.00005 -0.00004 79 4XY 0.00051 0.00003 0.00008 0.00007 -0.00006 80 4XZ -0.00001 0.00001 -0.00003 0.00021 0.00000 81 4YZ 0.00005 0.00004 0.00001 0.00047 0.00000 82 9 H 1S 0.03952 0.00464 0.00000 0.04427 -0.00138 83 2S 0.02207 0.00351 0.00000 0.03579 -0.00403 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 -0.00002 0.00023 0.00003 -0.00002 0.00000 87 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00003 0.00000 0.00000 0.00000 89 3S 0.00002 0.00002 0.00003 0.00003 0.00000 90 3PX -0.00040 0.00174 0.00024 0.00002 0.00001 91 3PY -0.00002 0.00003 -0.00004 0.00002 0.00000 92 3PZ -0.00009 0.00031 0.00005 0.00000 0.00001 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 0.00001 0.00000 0.00000 0.00000 101 2PX 0.00002 0.00001 0.00005 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 0.00004 0.00000 0.00003 0.00000 0.00000 105 3PX 0.00019 0.00011 0.00052 -0.00001 -0.00001 106 3PY 0.00001 -0.00007 0.00000 0.00000 0.00000 107 3PZ 0.00001 0.00000 0.00001 0.00006 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 0.00002 0.00000 0.00000 0.00000 120 3PX -0.00001 0.00000 0.00000 0.00000 0.00000 121 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 3PZ 0.00000 0.00001 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 0.00002 0.00000 0.00000 0.00000 135 3PX -0.00001 0.00000 0.00000 0.00000 0.00000 136 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00001 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 0.00001 0.00000 0.00000 0.00000 146 2PX 0.00002 0.00001 0.00005 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 0.00004 0.00000 0.00003 0.00000 0.00000 150 3PX 0.00019 0.00011 0.00052 -0.00001 -0.00001 151 3PY 0.00001 -0.00007 0.00000 0.00000 0.00000 152 3PZ 0.00001 0.00000 0.00001 0.00006 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX -0.00002 0.00023 0.00003 -0.00002 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00003 0.00000 0.00000 0.00000 164 3S 0.00002 0.00002 0.00003 0.00003 0.00000 165 3PX -0.00040 0.00174 0.00024 0.00002 0.00001 166 3PY -0.00002 0.00003 -0.00004 0.00002 0.00000 167 3PZ -0.00009 0.00031 0.00005 0.00000 0.00001 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00001 0.00000 0.00000 0.00000 175 2S -0.00001 0.00008 0.00005 -0.00001 0.00000 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S -0.00001 -0.00002 -0.00003 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S -0.00001 -0.00002 -0.00003 0.00000 0.00000 184 21 H 1S 0.00000 0.00001 0.00000 0.00000 0.00000 185 2S -0.00001 0.00008 0.00005 -0.00001 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 41 42 43 44 45 41 4YY 0.00355 42 4ZZ -0.00054 0.00259 43 4XY 0.00000 0.00000 0.00351 44 4XZ 0.00000 0.00000 0.00000 0.00234 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00183 46 4 O 1S -0.00008 0.00000 -0.00009 0.00000 -0.00001 47 2S 0.00203 -0.00023 0.00192 0.00007 0.00021 48 2PX 0.00292 -0.00012 0.00030 0.00014 0.00065 49 2PY -0.00052 -0.00029 0.00429 0.00043 0.00050 50 2PZ 0.00023 0.00016 0.00063 0.00060 0.00100 51 3S 0.00608 -0.00190 0.00162 -0.00005 0.00003 52 3PX 0.00420 -0.00015 0.00001 -0.00003 0.00046 53 3PY -0.00090 -0.00117 0.00175 0.00027 0.00018 54 3PZ 0.00017 -0.00027 0.00038 0.00127 0.00210 55 4XX -0.00014 0.00002 0.00000 -0.00001 -0.00002 56 4YY -0.00006 -0.00006 0.00028 0.00007 0.00003 57 4ZZ -0.00004 0.00004 -0.00007 -0.00001 -0.00001 58 4XY 0.00019 -0.00002 0.00001 0.00000 0.00005 59 4XZ -0.00003 -0.00001 0.00001 -0.00001 0.00000 60 4YZ 0.00002 0.00001 0.00001 0.00006 0.00011 61 5 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 -0.00003 0.00000 -0.00002 -0.00001 63 6 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 64 2S 0.00000 -0.00003 0.00000 -0.00002 -0.00001 65 7 H 1S -0.00149 -0.00044 0.00000 0.00466 0.00000 66 2S -0.00354 -0.00223 0.00000 0.00131 0.00000 67 8 O 1S -0.00008 0.00000 -0.00009 0.00000 -0.00001 68 2S 0.00203 -0.00023 0.00192 0.00007 0.00021 69 2PX 0.00292 -0.00012 0.00030 0.00014 0.00065 70 2PY -0.00052 -0.00029 0.00429 0.00043 0.00050 71 2PZ 0.00023 0.00016 0.00063 0.00060 0.00100 72 3S 0.00608 -0.00190 0.00162 -0.00005 0.00003 73 3PX 0.00420 -0.00015 0.00001 -0.00003 0.00046 74 3PY -0.00090 -0.00117 0.00175 0.00027 0.00018 75 3PZ 0.00017 -0.00027 0.00038 0.00127 0.00210 76 4XX -0.00014 0.00002 0.00000 -0.00001 -0.00002 77 4YY -0.00006 -0.00006 0.00028 0.00007 0.00003 78 4ZZ -0.00004 0.00004 -0.00007 -0.00001 -0.00001 79 4XY 0.00019 -0.00002 0.00001 0.00000 0.00005 80 4XZ -0.00003 -0.00001 0.00001 -0.00001 0.00000 81 4YZ 0.00002 0.00001 0.00001 0.00007 0.00011 82 9 H 1S -0.00137 0.00799 0.00000 0.00138 0.00000 83 2S -0.00220 0.00714 0.00000 0.00041 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 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 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 46 47 48 49 50 46 4 O 1S 2.07561 47 2S -0.04155 0.50274 48 2PX 0.00000 0.00000 0.61892 49 2PY 0.00000 0.00000 0.00000 0.66749 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.74389 51 3S -0.04121 0.45391 0.00000 0.00000 0.00000 52 3PX 0.00000 0.00000 0.18662 0.00000 0.00000 53 3PY 0.00000 0.00000 0.00000 0.21362 0.00000 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.24767 55 4XX -0.00054 -0.00044 0.00000 0.00000 0.00000 56 4YY -0.00042 -0.00460 0.00000 0.00000 0.00000 57 4ZZ -0.00043 -0.00427 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 -0.00005 -0.00002 -0.00001 -0.00014 62 2S 0.00013 -0.00188 -0.00014 -0.00015 -0.00395 63 6 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 64 2S 0.00000 0.00002 0.00009 0.00014 -0.00001 65 7 H 1S 0.00000 -0.00004 -0.00022 -0.00003 -0.00004 66 2S 0.00001 -0.00042 -0.00591 -0.00110 -0.00125 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 -0.00010 0.00000 71 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 72 3S -0.00001 0.00034 0.00000 -0.00120 0.00000 73 3PX 0.00000 0.00000 0.00018 0.00000 0.00000 74 3PY 0.00003 -0.00069 0.00000 -0.00639 0.00000 75 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00009 76 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 77 4YY 0.00000 0.00000 0.00000 0.00002 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 -0.00006 0.00000 -0.00004 -0.00019 83 2S 0.00008 -0.00109 0.00071 -0.00113 -0.00457 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 0.00001 0.00001 -0.00001 90 3PX 0.00000 0.00001 0.00006 0.00000 0.00007 91 3PY 0.00000 0.00000 0.00001 0.00000 0.00000 92 3PZ 0.00000 0.00001 0.00004 0.00001 0.00001 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 0.00001 0.00001 0.00001 0.00000 106 3PY 0.00000 -0.00001 -0.00002 0.00000 0.00000 107 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 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 -0.00001 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 -0.00001 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 0.00003 -0.00041 -0.00001 -0.00010 150 3PX 0.00001 -0.00020 -0.00134 0.00003 -0.00016 151 3PY 0.00000 0.00002 -0.00007 -0.00003 -0.00002 152 3PZ 0.00000 -0.00005 -0.00013 0.00000 0.00014 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 -0.00004 0.00012 0.00000 0.00015 165 3PX 0.00000 -0.00009 -0.00009 -0.00003 0.00008 166 3PY 0.00000 0.00000 -0.00001 -0.00001 -0.00003 167 3PZ 0.00000 -0.00004 0.00012 -0.00001 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 0.00000 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 0.00000 0.00000 0.00001 0.00000 0.00000 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00004 0.00000 0.00004 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00003 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 0.76069 52 3PX 0.00000 0.23556 53 3PY 0.00000 0.00000 0.27450 54 3PZ 0.00000 0.00000 0.00000 0.33562 55 4XX -0.00047 0.00000 0.00000 0.00000 0.00074 56 4YY -0.01246 0.00000 0.00000 0.00000 -0.00009 57 4ZZ -0.00755 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 -0.00231 0.00014 -0.00014 -0.00334 0.00002 62 2S -0.01051 0.00252 -0.00045 -0.01531 0.00006 63 6 H 1S 0.00001 0.00002 0.00003 0.00001 0.00000 64 2S -0.00002 0.00085 0.00113 -0.00016 0.00000 65 7 H 1S -0.00132 -0.00548 -0.00051 -0.00094 0.00008 66 2S 0.00071 -0.02470 -0.00360 -0.00542 0.00050 67 8 O 1S -0.00001 0.00000 0.00003 0.00000 0.00000 68 2S 0.00034 0.00000 -0.00069 0.00000 0.00000 69 2PX 0.00000 0.00018 0.00000 0.00000 0.00000 70 2PY -0.00120 0.00000 -0.00639 0.00000 0.00000 71 2PZ 0.00000 0.00000 0.00000 -0.00009 0.00000 72 3S 0.00560 0.00000 -0.00581 0.00000 0.00000 73 3PX 0.00000 0.00196 0.00000 0.00000 0.00000 74 3PY -0.00581 0.00000 -0.02512 0.00000 -0.00010 75 3PZ 0.00000 0.00000 0.00000 -0.00046 0.00000 76 4XX 0.00000 0.00000 -0.00010 0.00000 0.00000 77 4YY -0.00029 0.00000 0.00006 0.00000 0.00000 78 4ZZ 0.00001 0.00000 -0.00002 0.00000 0.00000 79 4XY 0.00000 0.00004 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 -0.00004 0.00000 82 9 H 1S -0.00220 0.00067 -0.00045 -0.00420 0.00001 83 2S -0.00660 0.00501 -0.00346 -0.01726 -0.00005 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 0.00003 -0.00001 0.00003 0.00000 87 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00001 0.00000 0.00001 0.00000 89 3S 0.00005 0.00010 0.00009 -0.00006 0.00000 90 3PX -0.00003 0.00072 -0.00021 0.00090 -0.00002 91 3PY 0.00000 0.00007 -0.00002 0.00005 -0.00001 92 3PZ 0.00006 0.00039 0.00002 0.00010 -0.00001 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 -0.00003 -0.00007 -0.00004 0.00000 0.00000 105 3PX 0.00012 0.00007 0.00013 0.00001 0.00000 106 3PY -0.00004 -0.00023 0.00002 -0.00002 0.00000 107 3PZ 0.00000 0.00000 0.00002 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 0.00001 0.00007 0.00001 -0.00001 0.00000 120 3PX 0.00000 0.00002 0.00002 0.00000 0.00000 121 3PY 0.00001 0.00002 0.00001 0.00000 0.00000 122 3PZ 0.00000 0.00001 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 0.00001 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 0.00003 0.00014 -0.00002 -0.00003 0.00000 135 3PX 0.00013 0.00000 -0.00002 -0.00001 0.00000 136 3PY 0.00001 0.00002 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00006 0.00000 0.00005 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S -0.00007 -0.00022 0.00000 -0.00002 0.00000 146 2PX -0.00041 -0.00135 0.00001 -0.00019 0.00001 147 2PY 0.00000 -0.00002 -0.00001 0.00000 0.00000 148 2PZ 0.00000 -0.00006 0.00000 0.00006 0.00000 149 3S -0.00081 -0.00356 -0.00006 -0.00072 0.00001 150 3PX -0.00262 -0.00698 0.00021 -0.00104 0.00023 151 3PY 0.00001 -0.00044 -0.00023 -0.00009 0.00000 152 3PZ -0.00035 -0.00073 -0.00002 0.00126 0.00002 153 4XX 0.00000 0.00005 0.00000 0.00001 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 -0.00002 -0.00007 0.00000 -0.00004 0.00000 161 2PX -0.00015 -0.00015 -0.00004 -0.00005 0.00000 162 2PY 0.00000 0.00000 0.00000 -0.00001 0.00000 163 2PZ -0.00006 -0.00006 -0.00001 0.00002 0.00000 164 3S -0.00009 0.00108 0.00004 0.00114 0.00001 165 3PX -0.00141 0.00001 -0.00038 0.00081 0.00001 166 3PY -0.00002 -0.00010 -0.00009 -0.00014 0.00000 167 3PZ -0.00037 0.00099 -0.00013 0.00065 0.00001 168 4XX 0.00000 0.00001 0.00000 0.00001 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 -0.00002 0.00000 -0.00001 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 -0.00001 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S -0.00001 0.00000 0.00000 -0.00001 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 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00005 0.00014 0.00000 -0.00006 0.00000 182 20 H 1S -0.00001 -0.00001 0.00000 0.00000 0.00000 183 2S 0.00036 0.00001 0.00025 0.00003 -0.00001 184 21 H 1S 0.00000 -0.00001 0.00000 -0.00002 0.00000 185 2S 0.00019 0.00014 0.00000 0.00013 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 -0.00002 0.00000 0.00000 0.00000 56 57 58 59 60 56 4YY 0.00293 57 4ZZ -0.00010 0.00115 58 4XY 0.00000 0.00000 0.00154 59 4XZ 0.00000 0.00000 0.00000 0.00055 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00156 61 5 H 1S 0.00000 0.00005 0.00001 0.00005 0.00001 62 2S 0.00015 0.00026 0.00002 0.00006 0.00004 63 6 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 64 2S 0.00002 0.00000 0.00000 0.00000 0.00000 65 7 H 1S 0.00000 -0.00001 0.00002 0.00001 0.00000 66 2S -0.00032 -0.00031 -0.00016 0.00003 -0.00002 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 0.00002 0.00000 0.00000 0.00000 0.00000 71 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 72 3S -0.00029 0.00001 0.00000 0.00000 0.00000 73 3PX 0.00000 0.00000 0.00004 0.00000 0.00000 74 3PY 0.00006 -0.00002 0.00000 0.00000 0.00000 75 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00004 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 0.00005 0.00001 0.00006 0.00003 83 2S -0.00021 0.00068 0.00002 0.00016 -0.00006 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 0.00001 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 0.00000 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 0.00002 0.00002 0.00000 0.00000 0.00000 150 3PX -0.00004 -0.00002 0.00001 0.00002 0.00000 151 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 152 3PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 -0.00001 0.00000 0.00000 0.00000 165 3PX -0.00003 0.00003 0.00000 0.00004 0.00000 166 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PZ -0.00001 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 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 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 0.21512 62 2S 0.10465 0.14252 63 6 H 1S 0.00000 -0.00011 0.21512 64 2S -0.00011 -0.00002 0.10465 0.14252 65 7 H 1S 0.00000 0.00002 0.00000 0.00002 0.22403 66 2S 0.00002 0.00068 0.00002 0.00068 0.12519 67 8 O 1S 0.00000 0.00000 0.00000 0.00013 0.00000 68 2S 0.00000 0.00002 -0.00005 -0.00188 -0.00004 69 2PX 0.00000 0.00009 -0.00002 -0.00014 -0.00022 70 2PY 0.00000 0.00014 -0.00001 -0.00015 -0.00003 71 2PZ 0.00000 -0.00001 -0.00014 -0.00395 -0.00004 72 3S 0.00001 -0.00002 -0.00231 -0.01051 -0.00132 73 3PX 0.00002 0.00085 0.00014 0.00252 -0.00548 74 3PY 0.00003 0.00113 -0.00014 -0.00045 -0.00051 75 3PZ 0.00001 -0.00016 -0.00334 -0.01531 -0.00094 76 4XX 0.00000 0.00000 0.00002 0.00006 0.00008 77 4YY 0.00000 0.00002 0.00000 0.00015 0.00000 78 4ZZ 0.00000 0.00000 0.00005 0.00026 -0.00001 79 4XY 0.00000 0.00000 0.00001 0.00002 0.00002 80 4XZ 0.00000 0.00000 0.00005 0.00006 0.00001 81 4YZ 0.00000 0.00000 0.00001 0.00004 0.00000 82 9 H 1S 0.00000 -0.00001 0.00000 -0.00001 -0.00071 83 2S -0.00001 -0.00030 -0.00001 -0.00030 -0.01130 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 0.00002 0.00000 -0.00008 0.00000 87 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00001 0.00000 0.00002 0.00000 89 3S 0.00000 0.00014 0.00002 0.00022 0.00000 90 3PX 0.00001 0.00029 -0.00006 -0.00057 0.00000 91 3PY 0.00001 0.00024 0.00002 0.00020 0.00000 92 3PZ 0.00001 0.00042 -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 -0.00001 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 0.00003 0.00000 100 2S 0.00000 0.00001 -0.00002 -0.00061 0.00000 101 2PX 0.00000 0.00005 -0.00004 -0.00176 0.00000 102 2PY 0.00000 0.00004 0.00000 -0.00001 0.00000 103 2PZ 0.00000 0.00005 -0.00005 -0.00193 0.00000 104 3S 0.00001 0.00013 -0.00085 -0.00506 0.00000 105 3PX 0.00004 0.00076 -0.00135 -0.00782 0.00000 106 3PY -0.00001 -0.00011 -0.00001 -0.00004 0.00000 107 3PZ 0.00002 0.00058 -0.00053 -0.00548 0.00000 108 4XX 0.00000 0.00000 0.00000 -0.00003 0.00000 109 4YY 0.00000 0.00000 0.00000 -0.00001 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00011 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00001 0.00006 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 0.00002 0.00000 -0.00012 0.00000 116 2PX 0.00000 0.00000 -0.00001 0.00003 0.00000 117 2PY 0.00000 -0.00001 0.00000 0.00002 0.00000 118 2PZ 0.00000 -0.00002 0.00000 0.00017 0.00000 119 3S 0.00002 0.00065 -0.00035 -0.00165 0.00000 120 3PX -0.00002 -0.00022 -0.00019 0.00045 0.00000 121 3PY 0.00000 -0.00004 -0.00006 0.00004 0.00000 122 3PZ -0.00001 -0.00021 -0.00020 -0.00017 0.00000 123 4XX 0.00000 0.00001 0.00000 -0.00009 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00001 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00005 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00001 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 -0.00012 0.00000 0.00002 0.00000 131 2PX -0.00001 0.00003 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00002 0.00000 -0.00001 0.00000 133 2PZ 0.00000 0.00017 0.00000 -0.00002 0.00000 134 3S -0.00035 -0.00165 0.00002 0.00065 0.00000 135 3PX -0.00019 0.00045 -0.00002 -0.00022 0.00000 136 3PY -0.00006 0.00004 0.00000 -0.00004 0.00000 137 3PZ -0.00020 -0.00017 -0.00001 -0.00021 0.00000 138 4XX 0.00000 -0.00009 0.00000 0.00001 0.00000 139 4YY 0.00000 0.00001 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00005 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00001 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 -0.00061 0.00000 0.00001 0.00000 146 2PX -0.00004 -0.00176 0.00000 0.00005 0.00000 147 2PY 0.00000 -0.00001 0.00000 0.00004 0.00000 148 2PZ -0.00005 -0.00194 0.00000 0.00005 0.00000 149 3S -0.00085 -0.00506 0.00001 0.00013 0.00000 150 3PX -0.00135 -0.00782 0.00004 0.00076 0.00000 151 3PY -0.00001 -0.00004 -0.00001 -0.00011 0.00000 152 3PZ -0.00053 -0.00548 0.00002 0.00058 0.00000 153 4XX 0.00000 -0.00003 0.00000 0.00000 0.00000 154 4YY 0.00000 -0.00001 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00011 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00001 0.00006 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 0.00000 -0.00008 0.00000 0.00002 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00001 0.00000 163 2PZ 0.00000 0.00002 0.00000 0.00001 0.00000 164 3S 0.00002 0.00022 0.00000 0.00014 0.00000 165 3PX -0.00006 -0.00057 0.00001 0.00029 0.00000 166 3PY 0.00002 0.00020 0.00001 0.00024 0.00000 167 3PZ -0.00001 -0.00001 0.00001 0.00042 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 -0.00001 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 0.00001 0.00000 -0.00010 0.00000 176 17 H 1S 0.00000 0.00000 0.00000 -0.00007 0.00000 177 2S 0.00000 -0.00004 -0.00013 0.00021 0.00000 178 18 H 1S 0.00000 -0.00002 0.00000 0.00081 0.00000 179 2S -0.00001 -0.00048 0.00064 0.00646 0.00000 180 19 H 1S 0.00000 0.00081 0.00000 -0.00002 0.00000 181 2S 0.00064 0.00646 -0.00001 -0.00048 0.00000 182 20 H 1S 0.00000 -0.00007 0.00000 0.00000 0.00000 183 2S -0.00013 0.00021 0.00000 -0.00004 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 -0.00010 0.00000 0.00001 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 -0.00001 0.00000 187 2S 0.00000 0.00001 0.00000 -0.00027 0.00000 188 23 H 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 189 2S 0.00000 -0.00027 0.00000 0.00001 0.00000 66 67 68 69 70 66 2S 0.21156 67 8 O 1S 0.00001 2.07561 68 2S -0.00042 -0.04155 0.50274 69 2PX -0.00591 0.00000 0.00000 0.61893 70 2PY -0.00110 0.00000 0.00000 0.00000 0.66749 71 2PZ -0.00125 0.00000 0.00000 0.00000 0.00000 72 3S 0.00071 -0.04121 0.45391 0.00000 0.00000 73 3PX -0.02470 0.00000 0.00000 0.18662 0.00000 74 3PY -0.00359 0.00000 0.00000 0.00000 0.21362 75 3PZ -0.00543 0.00000 0.00000 0.00000 0.00000 76 4XX 0.00050 -0.00054 -0.00044 0.00000 0.00000 77 4YY -0.00032 -0.00042 -0.00460 0.00000 0.00000 78 4ZZ -0.00031 -0.00043 -0.00427 0.00000 0.00000 79 4XY -0.00016 0.00000 0.00000 0.00000 0.00000 80 4XZ 0.00003 0.00000 0.00000 0.00000 0.00000 81 4YZ -0.00002 0.00000 0.00000 0.00000 0.00000 82 9 H 1S -0.01252 0.00000 -0.00006 0.00000 -0.00004 83 2S -0.04313 0.00008 -0.00109 0.00071 -0.00113 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 -0.00004 0.00012 0.00000 90 3PX 0.00011 0.00000 -0.00009 -0.00009 -0.00003 91 3PY 0.00000 0.00000 0.00000 -0.00001 -0.00001 92 3PZ 0.00004 0.00000 -0.00004 0.00012 -0.00001 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 -0.00001 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 -0.00003 0.00000 0.00003 -0.00041 -0.00001 105 3PX -0.00004 0.00001 -0.00020 -0.00134 0.00003 106 3PY -0.00002 0.00000 0.00002 -0.00007 -0.00003 107 3PZ -0.00001 0.00000 -0.00005 -0.00013 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 -0.00001 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 -0.00003 0.00000 0.00000 0.00000 0.00000 150 3PX -0.00004 0.00000 0.00001 0.00001 0.00001 151 3PY -0.00002 0.00000 -0.00001 -0.00002 0.00000 152 3PZ -0.00001 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 0.00001 0.00001 0.00001 165 3PX 0.00011 0.00000 0.00001 0.00006 0.00000 166 3PY 0.00000 0.00000 0.00000 0.00001 0.00000 167 3PZ 0.00004 0.00000 0.00001 0.00003 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 0.00000 0.00000 0.00000 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00004 0.00000 0.00004 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00000 0.00000 0.00001 0.00000 180 19 H 1S 0.00000 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 71 72 73 74 75 71 2PZ 0.74389 72 3S 0.00000 0.76069 73 3PX 0.00000 0.00000 0.23557 74 3PY 0.00000 0.00000 0.00000 0.27449 75 3PZ 0.24767 0.00000 0.00000 0.00000 0.33562 76 4XX 0.00000 -0.00047 0.00000 0.00000 0.00000 77 4YY 0.00000 -0.01246 0.00000 0.00000 0.00000 78 4ZZ 0.00000 -0.00755 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 -0.00019 -0.00220 0.00067 -0.00045 -0.00420 83 2S -0.00457 -0.00660 0.00501 -0.00347 -0.01726 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 -0.00002 -0.00007 0.00000 -0.00004 86 2PX 0.00000 -0.00015 -0.00015 -0.00004 -0.00005 87 2PY 0.00000 0.00000 0.00000 0.00000 -0.00001 88 2PZ 0.00000 -0.00006 -0.00006 -0.00001 0.00002 89 3S 0.00015 -0.00009 0.00108 0.00004 0.00114 90 3PX 0.00008 -0.00141 0.00001 -0.00038 0.00081 91 3PY -0.00003 -0.00002 -0.00010 -0.00009 -0.00014 92 3PZ 0.00015 -0.00037 0.00099 -0.00013 0.00065 93 4XX 0.00000 0.00000 0.00001 0.00000 0.00001 94 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4ZZ 0.00000 0.00000 -0.00002 0.00000 -0.00001 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 -0.00001 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 -0.00007 -0.00022 0.00000 -0.00002 101 2PX 0.00000 -0.00041 -0.00135 0.00001 -0.00019 102 2PY 0.00000 0.00000 -0.00002 -0.00001 0.00000 103 2PZ 0.00000 0.00000 -0.00006 0.00000 0.00006 104 3S -0.00010 -0.00081 -0.00356 -0.00006 -0.00072 105 3PX -0.00016 -0.00262 -0.00698 0.00021 -0.00104 106 3PY -0.00002 0.00001 -0.00044 -0.00023 -0.00009 107 3PZ 0.00014 -0.00035 -0.00073 -0.00002 0.00126 108 4XX 0.00000 0.00000 0.00005 0.00000 0.00001 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 0.00001 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 0.00003 0.00014 -0.00002 -0.00003 120 3PX 0.00000 0.00013 0.00000 -0.00002 -0.00001 121 3PY 0.00000 0.00001 0.00002 0.00000 0.00000 122 3PZ 0.00000 0.00000 0.00006 0.00000 0.00005 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 0.00007 0.00001 -0.00001 135 3PX 0.00000 0.00000 0.00002 0.00002 0.00000 136 3PY 0.00000 0.00001 0.00002 0.00001 0.00000 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 -0.00003 -0.00007 -0.00004 0.00000 150 3PX 0.00000 0.00012 0.00007 0.00013 0.00001 151 3PY 0.00000 -0.00004 -0.00023 0.00002 -0.00002 152 3PZ 0.00000 0.00000 0.00000 0.00002 0.00001 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00003 -0.00001 0.00003 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00001 0.00000 0.00001 164 3S -0.00001 0.00005 0.00010 0.00009 -0.00006 165 3PX 0.00007 -0.00003 0.00072 -0.00021 0.00090 166 3PY 0.00000 0.00000 0.00007 -0.00002 0.00005 167 3PZ 0.00001 0.00006 0.00039 0.00002 0.00010 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 -0.00001 0.00000 -0.00002 175 2S 0.00003 0.00019 0.00014 0.00000 0.00013 176 17 H 1S 0.00000 -0.00001 -0.00001 0.00000 0.00000 177 2S 0.00000 0.00036 0.00001 0.00025 0.00003 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00005 0.00014 0.00000 -0.00006 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 -0.00001 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 -0.00001 0.00000 0.00000 -0.00001 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 -0.00002 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 76 77 78 79 80 76 4XX 0.00074 77 4YY -0.00009 0.00293 78 4ZZ 0.00001 -0.00010 0.00115 79 4XY 0.00000 0.00000 0.00000 0.00154 80 4XZ 0.00000 0.00000 0.00000 0.00000 0.00055 81 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 9 H 1S 0.00001 0.00000 0.00005 0.00001 0.00006 83 2S -0.00005 -0.00021 0.00068 0.00002 0.00016 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 -0.00001 0.00000 0.00000 90 3PX 0.00001 -0.00003 0.00003 0.00000 0.00004 91 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 92 3PZ 0.00001 -0.00001 0.00000 0.00000 0.00001 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 0.00001 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 0.00002 0.00002 0.00000 0.00000 105 3PX 0.00023 -0.00004 -0.00002 0.00001 0.00002 106 3PY 0.00000 0.00000 0.00000 -0.00001 0.00000 107 3PZ 0.00002 0.00000 0.00000 0.00000 -0.00001 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 -0.00002 0.00000 0.00001 0.00001 0.00000 166 3PY -0.00001 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 -0.00001 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 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 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 0.00156 82 9 H 1S 0.00003 0.22384 83 2S -0.00006 0.11188 0.15548 84 10 C 1S 0.00000 0.00000 0.00000 2.05282 85 2S 0.00000 0.00000 0.00000 -0.01370 0.32755 86 2PX 0.00000 0.00000 0.00004 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 -0.00022 -0.02917 0.19680 90 3PX 0.00000 -0.00002 0.00020 0.00000 0.00000 91 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 92 3PZ 0.00000 0.00000 -0.00002 0.00000 0.00000 93 4XX 0.00000 0.00000 0.00000 -0.00098 -0.00926 94 4YY 0.00000 0.00000 0.00000 -0.00134 -0.00220 95 4ZZ 0.00000 0.00000 0.00000 -0.00141 -0.00118 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 -0.00060 100 2S 0.00000 0.00000 0.00000 -0.00055 0.01175 101 2PX 0.00000 0.00000 0.00001 -0.00010 0.00159 102 2PY 0.00000 0.00000 0.00000 -0.00069 0.00980 103 2PZ 0.00000 0.00000 0.00000 -0.00217 0.03225 104 3S 0.00000 0.00000 0.00009 -0.00073 0.01369 105 3PX 0.00000 0.00000 0.00008 0.00003 -0.00012 106 3PY 0.00000 0.00000 0.00007 -0.00067 0.00769 107 3PZ 0.00000 0.00000 -0.00002 -0.00155 0.01811 108 4XX 0.00000 0.00000 0.00000 0.00001 -0.00053 109 4YY 0.00000 0.00000 0.00000 0.00002 -0.00045 110 4ZZ 0.00000 0.00000 0.00000 -0.00014 0.00189 111 4XY 0.00000 0.00000 0.00000 -0.00001 0.00009 112 4XZ 0.00000 0.00000 0.00000 -0.00002 0.00017 113 4YZ 0.00000 0.00000 0.00000 -0.00013 0.00141 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 -0.00006 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00018 119 3S 0.00000 0.00000 0.00000 0.00004 -0.00071 120 3PX 0.00000 0.00000 0.00000 0.00004 -0.00086 121 3PY 0.00000 0.00000 0.00000 0.00000 0.00003 122 3PZ 0.00000 0.00000 0.00000 0.00012 -0.00201 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 0.00002 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 -0.00001 134 3S 0.00000 0.00000 0.00000 0.00002 -0.00042 135 3PX 0.00000 0.00000 0.00000 0.00001 -0.00016 136 3PY 0.00000 0.00000 0.00000 0.00001 -0.00023 137 3PZ 0.00000 0.00000 0.00000 0.00001 -0.00023 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 0.00001 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 -0.00024 148 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00016 149 3S 0.00000 0.00000 0.00009 0.00005 -0.00115 150 3PX 0.00000 0.00000 0.00008 0.00000 -0.00001 151 3PY 0.00000 0.00000 0.00007 0.00007 -0.00138 152 3PZ 0.00000 0.00000 -0.00002 0.00007 -0.00140 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 -0.00001 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 -0.00046 160 2S 0.00000 0.00000 0.00000 -0.00046 0.00935 161 2PX 0.00000 0.00000 0.00004 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 -0.00253 0.03966 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 -0.00001 -0.00022 -0.00031 0.01099 165 3PX 0.00000 -0.00002 0.00020 0.00000 0.00000 166 3PY 0.00000 0.00000 -0.00001 -0.00167 0.02307 167 3PZ 0.00000 0.00000 -0.00002 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 -0.00038 169 4YY 0.00000 0.00000 0.00000 -0.00026 0.00361 170 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00051 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 0.00001 -0.00201 0.03151 175 2S 0.00000 0.00000 0.00008 -0.00121 0.01248 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00019 177 2S 0.00000 0.00000 0.00000 0.00019 -0.00279 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00000 0.00000 0.00000 0.00014 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 0.00013 184 21 H 1S 0.00000 0.00000 0.00001 0.00000 -0.00017 185 2S 0.00000 0.00000 0.00008 0.00019 -0.00255 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 -0.00004 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 0.35515 87 2PY 0.00000 0.41443 88 2PZ 0.00000 0.00000 0.40211 89 3S 0.00000 0.00000 0.00000 0.23665 90 3PX 0.12496 0.00000 0.00000 0.00000 0.14682 91 3PY 0.00000 0.07776 0.00000 0.00000 0.00000 92 3PZ 0.00000 0.00000 0.06992 0.00000 0.00000 93 4XX 0.00000 0.00000 0.00000 -0.00540 0.00000 94 4YY 0.00000 0.00000 0.00000 -0.00177 0.00000 95 4ZZ 0.00000 0.00000 0.00000 0.00011 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 -0.00008 -0.00064 -0.00230 0.00057 0.00019 100 2S 0.00109 0.00958 0.03309 0.00549 -0.00087 101 2PX 0.01557 0.00035 0.00939 0.00072 0.02580 102 2PY -0.00035 -0.00036 0.02654 0.01081 -0.00098 103 2PZ 0.01190 0.02710 0.03730 0.01332 0.00536 104 3S 0.00012 0.00627 0.03439 -0.01157 -0.00246 105 3PX 0.02857 -0.00001 0.00427 0.00067 0.04679 106 3PY -0.00075 -0.00083 0.01065 0.00480 -0.00117 107 3PZ 0.00651 0.01220 0.00353 0.00209 0.00505 108 4XX 0.00006 -0.00020 -0.00091 -0.00040 -0.00018 109 4YY -0.00001 -0.00025 -0.00035 -0.00145 -0.00002 110 4ZZ 0.00050 0.00199 -0.00092 0.00253 0.00049 111 4XY 0.00029 0.00000 0.00026 0.00003 0.00021 112 4XZ 0.00134 0.00012 0.00019 0.00004 0.00103 113 4YZ 0.00027 -0.00004 0.00193 0.00037 0.00002 114 12 C 1S 0.00000 0.00000 0.00000 0.00002 0.00006 115 2S -0.00006 0.00000 -0.00014 -0.00047 -0.00094 116 2PX 0.00004 0.00000 -0.00026 0.00037 0.00033 117 2PY 0.00000 0.00000 0.00000 -0.00002 0.00002 118 2PZ -0.00015 0.00000 -0.00039 -0.00145 -0.00148 119 3S -0.00205 0.00001 -0.00159 0.00196 -0.00722 120 3PX 0.00011 0.00003 -0.00298 0.00125 -0.00006 121 3PY 0.00004 0.00013 0.00007 0.00007 0.00010 122 3PZ -0.00037 -0.00001 -0.00290 -0.00137 -0.00113 123 4XX -0.00001 0.00000 0.00001 -0.00003 -0.00023 124 4YY 0.00000 0.00000 0.00000 -0.00007 0.00001 125 4ZZ 0.00006 0.00000 0.00004 0.00018 0.00049 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00003 0.00002 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00002 0.00001 130 2S 0.00000 0.00000 0.00000 -0.00038 -0.00025 131 2PX 0.00000 -0.00001 0.00000 -0.00067 -0.00013 132 2PY 0.00001 0.00001 -0.00002 -0.00021 0.00023 133 2PZ -0.00001 -0.00002 0.00000 -0.00082 -0.00037 134 3S -0.00012 -0.00033 -0.00038 -0.00472 -0.00083 135 3PX -0.00001 -0.00039 0.00004 -0.00270 0.00002 136 3PY 0.00041 0.00008 -0.00088 -0.00122 0.00171 137 3PZ 0.00000 -0.00044 -0.00001 -0.00310 -0.00033 138 4XX 0.00000 0.00000 0.00000 -0.00001 0.00002 139 4YY 0.00000 0.00000 0.00000 0.00001 -0.00003 140 4ZZ 0.00000 0.00000 0.00000 0.00003 -0.00001 141 4XY 0.00000 0.00000 0.00000 0.00001 0.00001 142 4XZ 0.00000 0.00000 0.00000 -0.00003 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 -0.00001 0.00000 145 2S -0.00002 -0.00030 -0.00005 -0.00108 -0.00010 146 2PX -0.00004 0.00000 -0.00001 -0.00004 -0.00102 147 2PY -0.00002 -0.00052 -0.00005 -0.00519 0.00000 148 2PZ -0.00002 -0.00036 -0.00005 0.00148 0.00004 149 3S -0.00026 -0.00152 -0.00166 -0.00123 -0.00022 150 3PX -0.00115 -0.00027 -0.00016 -0.00079 -0.00494 151 3PY -0.00035 0.00058 -0.00015 -0.00657 -0.00034 152 3PZ -0.00034 -0.00242 -0.00021 0.00329 -0.00048 153 4XX 0.00000 0.00000 0.00000 -0.00007 0.00000 154 4YY 0.00000 0.00014 0.00001 0.00044 -0.00002 155 4ZZ 0.00000 -0.00002 0.00000 -0.00011 0.00003 156 4XY 0.00001 0.00000 0.00000 0.00000 0.00005 157 4XZ 0.00001 0.00000 0.00000 -0.00002 0.00010 158 4YZ 0.00000 0.00009 0.00000 0.00013 0.00000 159 15 C 1S 0.00000 -0.00253 0.00000 -0.00031 0.00000 160 2S 0.00000 0.03966 0.00000 0.01099 0.00000 161 2PX 0.01518 0.00000 0.00000 0.00000 0.02443 162 2PY 0.00000 0.09673 0.00000 0.03106 0.00000 163 2PZ 0.00000 0.00000 0.00347 0.00000 0.00000 164 3S 0.00000 0.03106 0.00000 -0.00467 0.00000 165 3PX 0.02443 0.00000 0.00000 0.00000 0.04128 166 3PY 0.00000 0.01798 0.00000 0.01031 0.00000 167 3PZ 0.00000 0.00000 0.01020 0.00000 0.00000 168 4XX 0.00000 -0.00084 0.00000 -0.00083 0.00000 169 4YY 0.00000 0.00229 0.00000 0.00381 0.00000 170 4ZZ 0.00000 -0.00133 0.00000 -0.00199 0.00000 171 4XY 0.00204 0.00000 0.00000 0.00000 0.00130 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00201 0.00000 0.00000 174 16 H 1S 0.01630 0.02419 0.05812 0.04222 0.00788 175 2S 0.01123 0.01527 0.03818 0.03625 0.00865 176 17 H 1S 0.00000 -0.00048 -0.00026 -0.00397 0.00003 177 2S 0.00008 -0.00661 -0.00295 -0.01341 0.00028 178 18 H 1S 0.00000 0.00000 0.00000 0.00005 0.00007 179 2S 0.00018 0.00002 0.00021 0.00085 0.00129 180 19 H 1S 0.00000 0.00000 0.00000 0.00001 0.00000 181 2S 0.00000 0.00000 -0.00001 0.00032 0.00000 182 20 H 1S 0.00000 0.00000 0.00000 0.00014 0.00000 183 2S 0.00000 0.00052 0.00003 0.00203 -0.00002 184 21 H 1S -0.00001 -0.00057 -0.00013 -0.00414 0.00006 185 2S -0.00037 -0.00816 -0.00201 -0.01645 -0.00018 186 22 H 1S -0.00001 0.00000 0.00000 -0.00013 -0.00083 187 2S -0.00059 0.00000 0.00019 -0.00096 -0.00342 188 23 H 1S 0.00000 0.00000 0.00000 0.00004 0.00007 189 2S 0.00010 -0.00001 -0.00002 0.00062 0.00138 91 92 93 94 95 91 3PY 0.05806 92 3PZ 0.00000 0.05819 93 4XX 0.00000 0.00000 0.00073 94 4YY 0.00000 0.00000 0.00004 0.00115 95 4ZZ 0.00000 0.00000 0.00008 -0.00018 0.00110 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 -0.00040 -0.00061 0.00001 0.00001 -0.00012 100 2S 0.00362 0.01568 -0.00036 -0.00045 0.00170 101 2PX -0.00025 0.00447 0.00004 -0.00002 0.00041 102 2PY 0.00130 0.00875 -0.00019 -0.00027 0.00200 103 2PZ 0.01498 0.00074 -0.00062 -0.00070 -0.00077 104 3S 0.00205 0.01608 -0.00084 -0.00065 0.00204 105 3PX -0.00111 0.00457 -0.00011 -0.00014 0.00052 106 3PY 0.00079 0.00413 -0.00027 -0.00054 0.00077 107 3PZ 0.01102 0.00065 -0.00018 -0.00048 -0.00084 108 4XX -0.00046 -0.00021 0.00002 -0.00001 0.00001 109 4YY -0.00041 -0.00028 0.00000 0.00004 -0.00017 110 4ZZ 0.00106 -0.00076 -0.00002 -0.00012 0.00004 111 4XY -0.00001 0.00004 0.00000 0.00000 0.00000 112 4XZ -0.00002 0.00003 0.00000 -0.00002 0.00004 113 4YZ -0.00001 0.00005 -0.00004 0.00000 -0.00008 114 12 C 1S 0.00000 0.00005 0.00000 0.00000 0.00000 115 2S -0.00004 -0.00079 0.00000 0.00000 0.00001 116 2PX -0.00004 0.00003 0.00000 0.00000 0.00003 117 2PY 0.00017 -0.00003 0.00000 0.00000 0.00000 118 2PZ -0.00017 -0.00112 0.00001 0.00000 0.00004 119 3S -0.00019 0.00182 0.00005 -0.00012 0.00023 120 3PX -0.00003 -0.00127 0.00003 -0.00008 0.00023 121 3PY 0.00107 0.00000 0.00000 0.00000 0.00000 122 3PZ -0.00025 -0.00149 0.00014 -0.00013 0.00024 123 4XX -0.00001 0.00016 0.00000 0.00000 0.00000 124 4YY 0.00000 -0.00010 0.00000 0.00000 0.00000 125 4ZZ 0.00002 0.00005 0.00000 0.00000 0.00000 126 4XY -0.00002 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00008 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 -0.00015 -0.00013 0.00000 0.00000 0.00000 131 2PX -0.00021 -0.00049 0.00000 0.00000 0.00000 132 2PY 0.00009 -0.00050 0.00000 0.00000 0.00000 133 2PZ -0.00079 -0.00015 0.00000 0.00000 0.00000 134 3S -0.00209 -0.00150 0.00002 0.00003 -0.00003 135 3PX -0.00093 -0.00135 0.00000 -0.00001 0.00002 136 3PY -0.00003 -0.00233 0.00000 0.00004 -0.00006 137 3PZ -0.00223 -0.00045 0.00002 -0.00001 -0.00001 138 4XX -0.00005 -0.00002 0.00000 0.00000 0.00000 139 4YY 0.00003 -0.00001 0.00000 0.00000 0.00000 140 4ZZ 0.00002 0.00006 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00002 0.00000 0.00000 0.00000 142 4XZ -0.00002 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00002 -0.00001 0.00000 0.00000 0.00000 144 14 C 1S 0.00010 -0.00009 0.00000 0.00000 0.00000 145 2S -0.00226 0.00033 0.00000 0.00002 0.00000 146 2PX -0.00028 -0.00020 0.00000 0.00001 0.00000 147 2PY -0.00558 0.00027 0.00000 0.00006 0.00000 148 2PZ 0.00101 0.00049 0.00000 0.00003 0.00001 149 3S -0.00338 -0.00104 0.00003 0.00012 0.00003 150 3PX -0.00136 -0.00076 0.00001 0.00003 -0.00003 151 3PY -0.00205 0.00089 0.00000 0.00017 0.00007 152 3PZ 0.00197 -0.00058 -0.00001 -0.00003 0.00011 153 4XX -0.00017 -0.00006 0.00000 0.00000 0.00000 154 4YY 0.00071 0.00000 0.00000 0.00000 0.00000 155 4ZZ -0.00016 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 157 4XZ -0.00001 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00016 0.00002 0.00000 0.00000 0.00000 159 15 C 1S -0.00167 0.00000 0.00000 -0.00026 0.00000 160 2S 0.02306 0.00000 -0.00038 0.00361 -0.00051 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.01798 0.00000 -0.00084 0.00229 -0.00133 163 2PZ 0.00000 0.01021 0.00000 0.00000 0.00000 164 3S 0.01031 0.00000 -0.00083 0.00381 -0.00199 165 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PY 0.00190 0.00000 -0.00069 0.00115 -0.00204 167 3PZ 0.00000 0.01004 0.00000 0.00000 0.00000 168 4XX -0.00069 0.00000 0.00002 -0.00006 0.00001 169 4YY 0.00115 0.00000 -0.00006 -0.00007 -0.00001 170 4ZZ -0.00204 0.00000 0.00001 -0.00001 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 0.00046 0.00000 0.00000 0.00000 174 16 H 1S 0.00986 0.02404 -0.00036 -0.00081 0.00181 175 2S 0.00742 0.01857 0.00032 -0.00130 0.00240 176 17 H 1S -0.00003 -0.00158 0.00000 0.00009 -0.00003 177 2S -0.00224 -0.00516 0.00000 0.00098 -0.00058 178 18 H 1S 0.00004 0.00006 0.00000 0.00000 0.00000 179 2S 0.00040 0.00019 0.00000 0.00000 -0.00002 180 19 H 1S 0.00002 0.00001 0.00000 0.00000 0.00000 181 2S 0.00031 0.00023 0.00000 0.00000 0.00000 182 20 H 1S 0.00034 -0.00001 0.00000 0.00000 0.00000 183 2S 0.00381 0.00011 0.00000 -0.00001 0.00000 184 21 H 1S -0.00333 0.00017 0.00000 0.00002 0.00000 185 2S -0.01333 0.00033 0.00010 -0.00017 0.00015 186 22 H 1S -0.00001 0.00002 0.00000 0.00000 0.00000 187 2S -0.00002 0.00000 0.00000 0.00000 0.00001 188 23 H 1S -0.00002 0.00004 0.00000 0.00000 0.00000 189 2S -0.00036 -0.00003 0.00000 0.00000 0.00000 96 97 98 99 100 96 4XY 0.00077 97 4XZ 0.00000 0.00070 98 4YZ 0.00000 0.00000 0.00134 99 11 C 1S -0.00001 -0.00002 -0.00014 2.05493 100 2S 0.00010 0.00017 0.00145 -0.01338 0.32600 101 2PX 0.00035 0.00110 0.00028 0.00000 0.00000 102 2PY 0.00000 0.00021 -0.00003 0.00000 0.00000 103 2PZ 0.00029 0.00021 0.00176 0.00000 0.00000 104 3S 0.00005 0.00000 0.00074 -0.03626 0.23449 105 3PX 0.00034 0.00069 0.00003 0.00000 0.00000 106 3PY 0.00000 0.00000 0.00005 0.00000 0.00000 107 3PZ 0.00009 0.00003 0.00010 0.00000 0.00000 108 4XX 0.00000 0.00000 -0.00005 -0.00092 -0.00901 109 4YY 0.00000 -0.00004 0.00001 -0.00146 0.00117 110 4ZZ -0.00002 0.00005 -0.00009 -0.00109 -0.00530 111 4XY 0.00000 0.00002 0.00000 0.00000 0.00000 112 4XZ -0.00001 -0.00003 -0.00003 0.00000 0.00000 113 4YZ 0.00000 -0.00001 0.00002 0.00000 0.00000 114 12 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00020 115 2S 0.00000 0.00001 0.00000 -0.00020 0.00515 116 2PX 0.00000 0.00002 0.00000 -0.00064 0.01324 117 2PY 0.00000 0.00000 0.00000 -0.00019 0.00379 118 2PZ 0.00000 0.00004 0.00000 -0.00062 0.01221 119 3S 0.00000 0.00007 -0.00001 0.00028 0.00640 120 3PX 0.00000 0.00004 -0.00001 -0.00067 0.01063 121 3PY 0.00002 0.00000 -0.00006 -0.00022 0.00175 122 3PZ 0.00000 0.00016 -0.00001 -0.00061 0.01010 123 4XX 0.00000 0.00000 0.00000 -0.00001 0.00020 124 4YY 0.00000 0.00000 0.00000 0.00000 -0.00018 125 4ZZ 0.00000 0.00000 0.00000 -0.00001 0.00030 126 4XY 0.00000 0.00000 0.00000 -0.00003 0.00045 127 4XZ 0.00000 0.00000 0.00000 -0.00007 0.00120 128 4YZ 0.00000 0.00000 0.00000 -0.00003 0.00043 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 -0.00002 132 2PY 0.00000 0.00000 0.00000 0.00000 -0.00011 133 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00002 134 3S -0.00002 0.00001 -0.00001 -0.00001 -0.00053 135 3PX 0.00000 0.00000 -0.00002 0.00000 -0.00025 136 3PY 0.00000 -0.00001 0.00000 0.00009 -0.00230 137 3PZ 0.00000 0.00001 -0.00002 0.00000 -0.00033 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 0.00001 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 0.00003 0.00000 -0.00002 146 2PX 0.00002 0.00000 0.00001 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00008 0.00000 -0.00006 148 2PZ 0.00001 0.00000 0.00003 0.00000 0.00000 149 3S 0.00000 0.00000 0.00022 0.00007 -0.00081 150 3PX 0.00022 -0.00004 0.00003 0.00000 0.00000 151 3PY -0.00001 0.00000 0.00021 0.00010 -0.00055 152 3PZ 0.00006 0.00000 0.00003 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 0.00204 0.00000 0.00000 0.00000 -0.00002 162 2PY 0.00000 0.00000 0.00000 0.00000 -0.00030 163 2PZ 0.00000 0.00000 0.00201 0.00000 -0.00005 164 3S 0.00000 0.00000 0.00000 -0.00001 -0.00108 165 3PX 0.00130 0.00000 0.00000 0.00000 -0.00010 166 3PY 0.00000 0.00000 0.00000 0.00010 -0.00226 167 3PZ 0.00000 0.00000 0.00046 -0.00009 0.00033 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 -0.00009 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 -0.00025 0.00000 0.00003 174 16 H 1S 0.00071 0.00150 0.00268 0.00000 -0.00021 175 2S 0.00016 0.00026 0.00061 0.00026 -0.00353 176 17 H 1S 0.00000 0.00000 0.00006 -0.00197 0.03104 177 2S 0.00001 -0.00001 0.00016 -0.00122 0.01265 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00014 179 2S 0.00000 0.00000 0.00000 0.00018 -0.00271 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00008 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 -0.00001 0.00000 0.00002 184 21 H 1S 0.00002 0.00000 0.00006 0.00000 0.00000 185 2S 0.00009 0.00000 0.00029 0.00000 0.00013 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00018 187 2S -0.00001 -0.00003 0.00000 0.00017 -0.00314 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S -0.00001 0.00000 0.00000 0.00000 0.00006 101 102 103 104 105 101 2PX 0.34895 102 2PY 0.00000 0.41140 103 2PZ 0.00000 0.00000 0.39185 104 3S 0.00000 0.00000 0.00000 0.29354 105 3PX 0.11484 0.00000 0.00000 0.00000 0.13458 106 3PY 0.00000 0.07561 0.00000 0.00000 0.00000 107 3PZ 0.00000 0.00000 0.09432 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 -0.00634 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00257 0.00000 110 4ZZ 0.00000 0.00000 0.00000 -0.00501 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 -0.00048 -0.00024 -0.00060 0.00005 -0.00012 115 2S 0.00949 0.00422 0.01170 0.00399 0.00415 116 2PX 0.00745 0.00781 0.02214 0.01012 -0.00083 117 2PY 0.00741 -0.00061 0.00603 0.00280 0.00414 118 2PZ 0.01973 0.00705 0.00977 0.01394 0.00690 119 3S 0.00841 0.01038 0.01788 -0.00481 -0.00513 120 3PX -0.00107 0.00493 0.01371 0.00531 -0.00501 121 3PY 0.00521 0.00043 0.00356 0.00027 0.00442 122 3PZ 0.01286 0.00454 -0.00081 0.00943 0.00661 123 4XX -0.00058 0.00027 0.00081 0.00088 -0.00132 124 4YY -0.00015 -0.00006 -0.00016 -0.00034 0.00012 125 4ZZ 0.00102 0.00026 -0.00066 -0.00007 0.00173 126 4XY 0.00019 0.00003 0.00068 0.00016 0.00000 127 4XZ 0.00038 0.00065 0.00044 0.00057 0.00000 128 4YZ 0.00066 0.00003 0.00025 0.00022 0.00015 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S -0.00002 -0.00008 -0.00002 -0.00029 -0.00019 131 2PX -0.00001 -0.00002 -0.00002 0.00030 0.00004 132 2PY -0.00011 -0.00027 -0.00006 -0.00115 -0.00077 133 2PZ -0.00002 -0.00003 -0.00001 -0.00023 -0.00017 134 3S 0.00050 -0.00351 -0.00080 -0.00131 0.00307 135 3PX 0.00003 -0.00004 -0.00033 0.00110 0.00056 136 3PY -0.00058 -0.00465 -0.00096 -0.00452 -0.00001 137 3PZ 0.00000 -0.00042 0.00003 -0.00082 -0.00001 138 4XX 0.00000 0.00000 0.00000 -0.00002 0.00010 139 4YY 0.00000 0.00001 0.00001 0.00002 -0.00010 140 4ZZ 0.00000 0.00000 0.00000 0.00001 -0.00008 141 4XY 0.00000 0.00002 0.00001 0.00001 0.00000 142 4XZ 0.00000 0.00000 0.00000 -0.00001 0.00000 143 4YZ 0.00001 0.00001 0.00001 0.00004 0.00005 144 14 C 1S 0.00000 0.00000 0.00000 0.00007 0.00000 145 2S 0.00000 -0.00006 0.00000 -0.00081 0.00000 146 2PX -0.00004 0.00000 0.00000 0.00000 -0.00162 147 2PY 0.00000 -0.00019 0.00000 -0.00121 0.00000 148 2PZ 0.00000 0.00000 -0.00002 0.00000 0.00000 149 3S 0.00000 -0.00121 0.00000 -0.00459 0.00000 150 3PX -0.00162 0.00000 0.00000 0.00000 -0.00866 151 3PY 0.00000 0.00107 0.00000 -0.00156 0.00000 152 3PZ 0.00000 0.00000 -0.00080 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 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 -0.00001 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 0.00005 0.00000 160 2S 0.00000 -0.00024 -0.00016 -0.00115 -0.00001 161 2PX -0.00004 -0.00002 -0.00002 -0.00026 -0.00115 162 2PY 0.00000 -0.00052 -0.00036 -0.00152 -0.00027 163 2PZ -0.00001 -0.00005 -0.00005 -0.00166 -0.00016 164 3S -0.00004 -0.00519 0.00148 -0.00123 -0.00079 165 3PX -0.00102 0.00000 0.00004 -0.00022 -0.00494 166 3PY -0.00028 -0.00558 0.00101 -0.00338 -0.00136 167 3PZ -0.00020 0.00027 0.00049 -0.00104 -0.00076 168 4XX 0.00000 0.00000 0.00000 0.00003 0.00001 169 4YY 0.00001 0.00006 0.00003 0.00012 0.00003 170 4ZZ 0.00000 0.00000 0.00001 0.00003 -0.00003 171 4XY 0.00002 0.00000 0.00001 0.00000 0.00022 172 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00004 173 4YZ 0.00001 0.00008 0.00003 0.00022 0.00003 174 16 H 1S -0.00005 0.00000 -0.00066 -0.00370 0.00035 175 2S -0.00095 0.00000 -0.01002 -0.01436 0.00090 176 17 H 1S 0.00168 0.09662 0.00025 0.04211 0.00016 177 2S 0.00088 0.06397 -0.00001 0.02299 -0.00061 178 18 H 1S -0.00004 0.00000 -0.00050 -0.00280 0.00059 179 2S 0.00023 -0.00011 -0.00843 -0.01128 0.00426 180 19 H 1S 0.00000 0.00000 0.00000 0.00005 0.00000 181 2S 0.00000 0.00015 0.00016 0.00050 -0.00026 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00006 0.00000 0.00022 0.00003 184 21 H 1S 0.00000 0.00000 0.00000 0.00011 0.00000 185 2S -0.00001 0.00019 0.00034 0.00160 -0.00013 186 22 H 1S -0.00038 -0.00001 -0.00009 -0.00075 -0.00497 187 2S -0.00668 -0.00010 -0.00069 -0.00116 -0.01771 188 23 H 1S 0.00000 0.00000 0.00000 -0.00003 0.00020 189 2S 0.00021 0.00010 0.00001 -0.00016 0.00182 106 107 108 109 110 106 3PY 0.05435 107 3PZ 0.00000 0.08688 108 4XX 0.00000 0.00000 0.00127 109 4YY 0.00000 0.00000 -0.00013 0.00185 110 4ZZ 0.00000 0.00000 0.00007 -0.00028 0.00134 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 -0.00021 -0.00038 -0.00002 0.00001 -0.00001 115 2S 0.00297 0.00604 0.00042 -0.00028 0.00022 116 2PX 0.00089 0.01048 -0.00061 -0.00027 0.00060 117 2PY -0.00148 0.00316 0.00035 -0.00006 0.00030 118 2PZ 0.00184 -0.00057 0.00093 -0.00028 -0.00077 119 3S 0.00621 0.01217 0.00131 -0.00156 0.00064 120 3PX 0.00062 0.00828 -0.00060 -0.00062 0.00079 121 3PY -0.00069 0.00153 0.00037 -0.00036 0.00021 122 3PZ 0.00083 -0.00343 0.00097 -0.00059 -0.00074 123 4XX 0.00038 0.00124 0.00005 -0.00002 -0.00009 124 4YY -0.00035 -0.00033 -0.00003 0.00002 -0.00003 125 4ZZ 0.00001 -0.00087 -0.00010 -0.00004 0.00005 126 4XY 0.00014 0.00018 -0.00003 0.00000 0.00000 127 4XZ 0.00006 0.00000 -0.00003 -0.00002 -0.00002 128 4YZ 0.00011 0.00000 0.00001 0.00000 -0.00003 129 13 C 1S 0.00004 0.00003 0.00000 0.00000 0.00000 130 2S -0.00092 -0.00047 0.00000 0.00001 0.00000 131 2PX 0.00112 -0.00065 0.00000 0.00000 0.00000 132 2PY -0.00109 -0.00094 -0.00001 0.00005 -0.00001 133 2PZ 0.00066 0.00002 0.00000 0.00000 0.00000 134 3S -0.00620 -0.00390 -0.00008 0.00027 -0.00006 135 3PX 0.00211 -0.00137 0.00000 -0.00001 -0.00001 136 3PY -0.00397 -0.00237 -0.00013 0.00057 -0.00012 137 3PZ 0.00054 0.00059 -0.00002 0.00002 0.00001 138 4XX 0.00000 -0.00002 0.00000 0.00000 0.00000 139 4YY 0.00004 0.00003 0.00000 0.00000 0.00000 140 4ZZ -0.00003 0.00003 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00006 0.00000 0.00000 0.00000 142 4XZ 0.00002 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00002 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00010 0.00000 0.00000 0.00000 0.00000 145 2S -0.00055 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00107 0.00000 0.00000 0.00001 0.00000 148 2PZ 0.00000 -0.00080 0.00000 0.00000 0.00000 149 3S -0.00156 0.00000 0.00000 0.00002 0.00001 150 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 3PY 0.00452 0.00000 0.00000 -0.00003 -0.00002 152 3PZ 0.00000 -0.00320 0.00000 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY -0.00003 0.00000 0.00000 0.00000 0.00000 155 4ZZ -0.00002 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 -0.00004 0.00000 0.00000 0.00000 159 15 C 1S 0.00007 0.00007 0.00000 0.00000 0.00000 160 2S -0.00138 -0.00140 0.00000 0.00003 -0.00001 161 2PX -0.00035 -0.00034 0.00000 0.00000 0.00000 162 2PY 0.00058 -0.00242 0.00000 0.00014 -0.00002 163 2PZ -0.00015 -0.00021 0.00000 0.00001 0.00000 164 3S -0.00657 0.00329 -0.00007 0.00044 -0.00011 165 3PX -0.00034 -0.00048 0.00000 -0.00002 0.00003 166 3PY -0.00205 0.00197 -0.00017 0.00071 -0.00016 167 3PZ 0.00089 -0.00058 -0.00006 0.00000 0.00000 168 4XX 0.00000 -0.00001 0.00000 0.00000 0.00000 169 4YY 0.00017 -0.00003 0.00000 0.00000 0.00000 170 4ZZ 0.00007 0.00011 0.00000 0.00000 0.00000 171 4XY -0.00001 0.00006 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00021 0.00003 0.00000 0.00000 0.00000 174 16 H 1S -0.00008 -0.00328 0.00001 -0.00001 0.00009 175 2S -0.00023 -0.01419 0.00032 -0.00036 0.00050 176 17 H 1S 0.04339 0.00025 -0.00100 0.00749 -0.00121 177 2S 0.04211 -0.00009 -0.00193 0.00678 -0.00286 178 18 H 1S 0.00001 -0.00303 -0.00001 0.00000 0.00011 179 2S -0.00019 -0.01435 -0.00034 -0.00014 0.00103 180 19 H 1S -0.00004 0.00007 0.00000 0.00000 0.00000 181 2S -0.00014 0.00109 0.00001 -0.00002 0.00000 182 20 H 1S -0.00002 0.00000 0.00000 0.00000 0.00000 183 2S -0.00012 0.00001 0.00000 0.00000 0.00000 184 21 H 1S 0.00005 0.00019 0.00000 0.00000 0.00000 185 2S 0.00099 0.00242 0.00000 -0.00002 0.00001 186 22 H 1S 0.00025 -0.00047 0.00013 0.00000 -0.00001 187 2S 0.00063 0.00030 0.00093 -0.00012 -0.00025 188 23 H 1S -0.00011 0.00004 0.00000 0.00000 0.00000 189 2S -0.00020 0.00028 0.00000 -0.00002 0.00001 111 112 113 114 115 111 4XY 0.00038 112 4XZ 0.00000 0.00090 113 4YZ 0.00000 0.00000 0.00071 114 12 C 1S -0.00002 -0.00007 -0.00003 2.05093 115 2S 0.00037 0.00108 0.00043 -0.01173 0.30675 116 2PX 0.00020 0.00032 0.00066 0.00000 0.00000 117 2PY 0.00004 0.00059 0.00003 0.00000 0.00000 118 2PZ 0.00058 0.00036 0.00028 0.00000 0.00000 119 3S 0.00018 0.00073 0.00027 -0.03468 0.23023 120 3PX 0.00000 0.00000 0.00019 0.00000 0.00000 121 3PY 0.00009 0.00017 0.00005 0.00000 0.00000 122 3PZ 0.00014 0.00000 0.00000 0.00000 0.00000 123 4XX -0.00001 0.00003 -0.00001 -0.00136 -0.00117 124 4YY 0.00000 -0.00004 0.00000 -0.00123 -0.00373 125 4ZZ -0.00002 -0.00001 -0.00002 -0.00136 -0.00110 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00002 0.00002 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 0.00000 -0.00013 0.00357 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00003 -0.00001 0.00002 -0.00105 0.02296 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00004 0.00000 0.00003 0.00033 0.00284 135 3PX 0.00000 0.00000 0.00001 0.00000 0.00000 136 3PY 0.00010 -0.00006 0.00008 -0.00140 0.02012 137 3PZ 0.00001 0.00000 0.00000 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 0.00253 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 -0.00002 147 2PY 0.00000 0.00000 0.00000 0.00000 -0.00008 148 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00002 149 3S 0.00000 0.00000 0.00000 0.00000 -0.00029 150 3PX -0.00001 0.00000 0.00000 0.00000 -0.00019 151 3PY 0.00000 0.00000 0.00000 0.00004 -0.00092 152 3PZ 0.00000 0.00000 -0.00004 0.00003 -0.00047 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 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00001 0.00000 0.00000 161 2PX 0.00001 0.00001 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00009 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 -0.00002 0.00013 0.00002 -0.00038 165 3PX 0.00005 0.00010 0.00000 0.00001 -0.00025 166 3PY 0.00000 -0.00001 0.00016 0.00001 -0.00015 167 3PZ 0.00001 0.00000 0.00002 0.00001 -0.00013 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 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 0.00003 -0.00001 0.00000 0.00000 175 2S 0.00000 0.00013 -0.00004 0.00000 0.00008 176 17 H 1S 0.00018 0.00001 0.00002 0.00000 -0.00012 177 2S 0.00003 0.00000 0.00001 0.00017 -0.00247 178 18 H 1S 0.00000 0.00002 0.00000 -0.00165 0.02726 179 2S -0.00001 -0.00005 -0.00003 -0.00051 0.00973 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00011 181 2S 0.00000 0.00000 0.00000 0.00010 -0.00182 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 0.00003 0.00000 -0.00167 0.02754 187 2S -0.00002 0.00001 -0.00001 -0.00062 0.01033 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00013 189 2S -0.00001 0.00000 0.00000 0.00014 -0.00231 116 117 118 119 120 116 2PX 0.39946 117 2PY 0.00000 0.38112 118 2PZ 0.00000 0.00000 0.40015 119 3S 0.00000 0.00000 0.00000 0.31661 120 3PX 0.10533 0.00000 0.00000 0.00000 0.08894 121 3PY 0.00000 0.09958 0.00000 0.00000 0.00000 122 3PZ 0.00000 0.00000 0.10200 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00038 0.00000 124 4YY 0.00000 0.00000 0.00000 -0.00323 0.00000 125 4ZZ 0.00000 0.00000 0.00000 -0.00091 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 0.00033 0.00000 130 2S 0.00000 0.02296 0.00000 0.00284 0.00000 131 2PX 0.00014 0.00000 0.00000 0.00000 -0.00174 132 2PY 0.00000 0.07743 0.00000 0.02725 0.00000 133 2PZ 0.00000 0.00000 0.00027 0.00000 0.00000 134 3S 0.00000 0.02725 0.00000 -0.01130 0.00000 135 3PX -0.00174 0.00000 0.00000 0.00000 -0.00450 136 3PY 0.00000 0.03429 0.00000 0.01588 0.00000 137 3PZ 0.00000 0.00000 -0.00119 0.00000 0.00000 138 4XX 0.00000 -0.00059 0.00000 -0.00138 0.00000 139 4YY 0.00000 0.00253 0.00000 0.00379 0.00000 140 4ZZ 0.00000 -0.00062 0.00000 -0.00065 0.00000 141 4XY 0.00109 0.00000 0.00000 0.00000 0.00077 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00109 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 -0.00001 0.00000 145 2S -0.00002 -0.00011 -0.00002 -0.00053 -0.00025 146 2PX -0.00001 -0.00011 -0.00002 0.00050 0.00003 147 2PY -0.00002 -0.00027 -0.00003 -0.00351 -0.00004 148 2PZ -0.00002 -0.00006 -0.00001 -0.00080 -0.00033 149 3S 0.00030 -0.00115 -0.00023 -0.00131 0.00110 150 3PX 0.00004 -0.00077 -0.00017 0.00307 0.00056 151 3PY 0.00112 -0.00110 0.00066 -0.00620 0.00211 152 3PZ -0.00065 -0.00094 0.00002 -0.00390 -0.00136 153 4XX 0.00000 -0.00001 0.00000 -0.00008 0.00000 154 4YY 0.00000 0.00005 0.00000 0.00027 -0.00001 155 4ZZ 0.00000 -0.00001 0.00000 -0.00006 -0.00001 156 4XY 0.00000 0.00003 0.00000 0.00004 0.00000 157 4XZ 0.00000 -0.00001 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00002 0.00000 0.00003 0.00001 159 15 C 1S 0.00000 0.00000 0.00000 0.00002 0.00001 160 2S 0.00000 0.00000 -0.00001 -0.00042 -0.00016 161 2PX 0.00000 0.00001 -0.00001 -0.00012 -0.00001 162 2PY -0.00001 0.00001 -0.00002 -0.00033 -0.00039 163 2PZ 0.00000 -0.00002 0.00000 -0.00038 0.00004 164 3S -0.00067 -0.00021 -0.00082 -0.00472 -0.00270 165 3PX -0.00013 0.00023 -0.00037 -0.00083 0.00002 166 3PY -0.00021 0.00009 -0.00079 -0.00209 -0.00093 167 3PZ -0.00049 -0.00050 -0.00015 -0.00150 -0.00135 168 4XX 0.00000 0.00000 0.00000 0.00002 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00003 -0.00001 170 4ZZ 0.00000 0.00000 0.00000 -0.00003 0.00002 171 4XY 0.00000 0.00000 0.00000 -0.00002 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00001 0.00000 173 4YZ 0.00000 0.00000 0.00000 -0.00001 -0.00002 174 16 H 1S 0.00000 0.00000 0.00000 0.00008 0.00010 175 2S 0.00013 0.00001 0.00027 0.00142 0.00127 176 17 H 1S -0.00015 -0.00028 -0.00011 -0.00433 -0.00193 177 2S -0.00265 -0.00439 -0.00188 -0.01673 -0.00635 178 18 H 1S 0.00378 0.01178 0.08206 0.02945 0.00216 179 2S 0.00277 0.00736 0.05512 -0.00242 0.00260 180 19 H 1S -0.00001 -0.00033 -0.00012 -0.00129 -0.00003 181 2S -0.00019 -0.00489 -0.00166 -0.00249 -0.00029 182 20 H 1S 0.00000 0.00000 0.00000 0.00008 0.00000 183 2S 0.00002 0.00028 0.00002 0.00133 0.00008 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00001 -0.00003 186 22 H 1S 0.08143 0.00962 0.00595 0.03249 0.05357 187 2S 0.05295 0.00575 0.00400 0.00684 0.05341 188 23 H 1S -0.00014 -0.00033 -0.00001 -0.00222 -0.00148 189 2S -0.00158 -0.00474 -0.00023 -0.00949 -0.00415 121 122 123 124 125 121 3PY 0.08740 122 3PZ 0.00000 0.08364 123 4XX 0.00000 0.00000 0.00161 124 4YY 0.00000 0.00000 -0.00013 0.00123 125 4ZZ 0.00000 0.00000 -0.00022 -0.00010 0.00156 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 -0.00140 0.00000 0.00000 -0.00011 0.00000 130 2S 0.02012 0.00000 -0.00023 0.00253 -0.00022 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.03429 0.00000 -0.00059 0.00253 -0.00062 133 2PZ 0.00000 -0.00119 0.00000 0.00000 0.00000 134 3S 0.01588 0.00000 -0.00138 0.00379 -0.00065 135 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 3PY 0.01485 0.00000 -0.00137 0.00190 -0.00137 137 3PZ 0.00000 -0.00302 0.00000 0.00000 0.00000 138 4XX -0.00137 0.00000 0.00000 -0.00001 0.00000 139 4YY 0.00190 0.00000 -0.00001 -0.00003 -0.00002 140 4ZZ -0.00137 0.00000 0.00000 -0.00002 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 0.00071 0.00000 0.00000 0.00000 144 14 C 1S 0.00009 0.00000 0.00000 0.00000 0.00000 145 2S -0.00230 -0.00033 0.00000 0.00000 0.00000 146 2PX -0.00058 0.00000 0.00000 0.00000 0.00000 147 2PY -0.00465 -0.00042 0.00000 0.00001 0.00000 148 2PZ -0.00096 0.00003 0.00000 0.00001 0.00000 149 3S -0.00452 -0.00082 -0.00002 0.00002 0.00001 150 3PX -0.00001 -0.00002 0.00010 -0.00010 -0.00008 151 3PY -0.00397 0.00054 0.00000 0.00004 -0.00003 152 3PZ -0.00237 0.00059 -0.00002 0.00003 0.00003 153 4XX -0.00013 -0.00002 0.00000 0.00000 0.00000 154 4YY 0.00057 0.00002 0.00000 0.00000 0.00000 155 4ZZ -0.00012 0.00001 0.00000 0.00000 0.00000 156 4XY 0.00010 0.00001 0.00000 0.00000 0.00000 157 4XZ -0.00006 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00008 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00001 0.00001 0.00000 0.00000 0.00000 160 2S -0.00023 -0.00023 0.00000 0.00000 0.00000 161 2PX 0.00041 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00008 -0.00044 0.00000 0.00000 0.00000 163 2PZ -0.00088 -0.00001 0.00000 0.00000 0.00000 164 3S -0.00122 -0.00311 -0.00001 0.00001 0.00003 165 3PX 0.00171 -0.00033 0.00002 -0.00003 -0.00001 166 3PY -0.00003 -0.00223 -0.00005 0.00003 0.00002 167 3PZ -0.00233 -0.00045 -0.00002 -0.00001 0.00006 168 4XX 0.00000 0.00002 0.00000 0.00000 0.00000 169 4YY 0.00004 -0.00001 0.00000 0.00000 0.00000 170 4ZZ -0.00006 -0.00001 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ -0.00001 0.00001 0.00000 0.00000 0.00000 173 4YZ 0.00000 -0.00002 0.00000 0.00000 0.00000 174 16 H 1S 0.00002 0.00012 0.00000 0.00000 0.00000 175 2S 0.00016 0.00197 0.00000 0.00000 -0.00002 176 17 H 1S -0.00115 -0.00145 0.00000 0.00004 -0.00001 177 2S -0.00515 -0.00463 -0.00017 0.00064 -0.00018 178 18 H 1S 0.00757 0.05194 -0.00099 -0.00081 0.00520 179 2S 0.00718 0.05288 -0.00306 -0.00121 0.00568 180 19 H 1S -0.00262 -0.00133 0.00000 0.00002 0.00000 181 2S -0.00791 -0.00417 0.00024 -0.00015 -0.00007 182 20 H 1S 0.00023 0.00000 0.00000 0.00000 0.00000 183 2S 0.00299 0.00013 0.00000 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S -0.00001 -0.00009 0.00000 0.00000 0.00000 186 22 H 1S 0.00702 0.00302 0.00518 -0.00087 -0.00094 187 2S 0.00609 0.00313 0.00547 -0.00158 -0.00261 188 23 H 1S -0.00193 -0.00002 -0.00001 0.00003 0.00000 189 2S -0.00662 -0.00039 -0.00008 -0.00005 0.00021 126 127 128 129 130 126 4XY 0.00089 127 4XZ 0.00000 0.00065 128 4YZ 0.00000 0.00000 0.00095 129 13 C 1S 0.00000 0.00000 0.00000 2.05093 130 2S 0.00000 0.00000 0.00000 -0.01173 0.30675 131 2PX 0.00109 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 0.00109 0.00000 0.00000 134 3S 0.00000 0.00000 0.00000 -0.03468 0.23023 135 3PX 0.00077 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 0.00071 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 -0.00136 -0.00117 139 4YY 0.00000 0.00000 0.00000 -0.00123 -0.00373 140 4ZZ 0.00000 0.00000 0.00000 -0.00136 -0.00110 141 4XY -0.00014 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 -0.00015 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00020 145 2S 0.00001 0.00000 0.00000 -0.00020 0.00515 146 2PX 0.00000 0.00000 0.00001 -0.00048 0.00949 147 2PY 0.00002 0.00000 0.00001 -0.00024 0.00422 148 2PZ 0.00001 0.00000 0.00001 -0.00060 0.01170 149 3S 0.00001 -0.00001 0.00004 0.00005 0.00399 150 3PX 0.00000 0.00000 0.00005 -0.00012 0.00415 151 3PY 0.00000 0.00002 0.00002 -0.00021 0.00297 152 3PZ 0.00006 0.00000 0.00000 -0.00038 0.00603 153 4XX 0.00000 0.00000 0.00000 -0.00002 0.00042 154 4YY 0.00000 0.00000 0.00000 0.00001 -0.00028 155 4ZZ 0.00000 0.00000 0.00000 -0.00001 0.00022 156 4XY 0.00000 0.00000 0.00000 -0.00002 0.00037 157 4XZ 0.00000 0.00000 0.00000 -0.00007 0.00108 158 4YZ 0.00000 0.00000 0.00000 -0.00003 0.00043 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 -0.00006 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00014 164 3S 0.00001 -0.00003 0.00000 0.00002 -0.00047 165 3PX 0.00000 0.00000 0.00000 0.00006 -0.00094 166 3PY 0.00000 -0.00002 0.00002 0.00000 -0.00004 167 3PZ 0.00002 0.00000 -0.00001 0.00005 -0.00079 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 0.00000 0.00000 0.00000 0.00000 176 17 H 1S 0.00002 0.00000 0.00002 0.00000 0.00000 177 2S 0.00005 -0.00006 0.00005 0.00000 0.00006 178 18 H 1S 0.00006 0.00045 0.00199 0.00000 -0.00011 179 2S 0.00002 0.00009 0.00044 0.00010 -0.00182 180 19 H 1S 0.00000 0.00000 0.00006 -0.00165 0.02726 181 2S 0.00002 0.00000 0.00030 -0.00051 0.00973 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00012 183 2S 0.00000 0.00000 0.00000 0.00017 -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 0.00172 0.00078 0.00010 0.00000 -0.00013 187 2S 0.00038 0.00015 0.00003 0.00014 -0.00231 188 23 H 1S 0.00006 0.00000 0.00001 -0.00167 0.02754 189 2S 0.00029 0.00000 0.00003 -0.00062 0.01033 131 132 133 134 135 131 2PX 0.39946 132 2PY 0.00000 0.38112 133 2PZ 0.00000 0.00000 0.40015 134 3S 0.00000 0.00000 0.00000 0.31661 135 3PX 0.10534 0.00000 0.00000 0.00000 0.08895 136 3PY 0.00000 0.09958 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.10200 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00038 0.00000 139 4YY 0.00000 0.00000 0.00000 -0.00323 0.00000 140 4ZZ 0.00000 0.00000 0.00000 -0.00091 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 -0.00064 -0.00019 -0.00062 0.00028 -0.00067 145 2S 0.01324 0.00380 0.01221 0.00640 0.01063 146 2PX 0.00745 0.00742 0.01972 0.00841 -0.00107 147 2PY 0.00782 -0.00061 0.00705 0.01039 0.00493 148 2PZ 0.02214 0.00603 0.00976 0.01788 0.01371 149 3S 0.01012 0.00280 0.01394 -0.00481 0.00531 150 3PX -0.00083 0.00414 0.00690 -0.00513 -0.00501 151 3PY 0.00089 -0.00148 0.00184 0.00621 0.00062 152 3PZ 0.01048 0.00316 -0.00057 0.01216 0.00828 153 4XX -0.00061 0.00035 0.00093 0.00131 -0.00060 154 4YY -0.00027 -0.00006 -0.00028 -0.00156 -0.00062 155 4ZZ 0.00060 0.00030 -0.00077 0.00064 0.00079 156 4XY 0.00020 0.00004 0.00058 0.00018 0.00000 157 4XZ 0.00032 0.00059 0.00036 0.00073 0.00000 158 4YZ 0.00066 0.00003 0.00028 0.00027 0.00019 159 15 C 1S 0.00000 0.00000 0.00000 0.00004 0.00004 160 2S -0.00006 0.00000 -0.00018 -0.00071 -0.00086 161 2PX 0.00004 0.00000 -0.00015 -0.00205 0.00011 162 2PY 0.00000 0.00000 0.00000 0.00001 0.00003 163 2PZ -0.00026 0.00000 -0.00039 -0.00159 -0.00298 164 3S 0.00037 -0.00002 -0.00145 0.00196 0.00125 165 3PX 0.00033 0.00002 -0.00148 -0.00722 -0.00006 166 3PY -0.00004 0.00017 -0.00017 -0.00019 -0.00003 167 3PZ 0.00003 -0.00003 -0.00112 0.00182 -0.00127 168 4XX 0.00000 0.00000 0.00001 0.00005 0.00003 169 4YY 0.00000 0.00000 0.00000 -0.00012 -0.00008 170 4ZZ 0.00003 0.00000 0.00004 0.00023 0.00023 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00002 0.00000 0.00004 0.00007 0.00004 173 4YZ 0.00000 0.00000 0.00000 -0.00001 -0.00001 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00001 -0.00003 176 17 H 1S 0.00000 0.00000 0.00000 0.00008 0.00000 177 2S 0.00002 0.00028 0.00002 0.00133 0.00008 178 18 H 1S -0.00001 -0.00033 -0.00012 -0.00129 -0.00003 179 2S -0.00019 -0.00489 -0.00166 -0.00249 -0.00029 180 19 H 1S 0.00377 0.01178 0.08207 0.02945 0.00216 181 2S 0.00277 0.00736 0.05512 -0.00242 0.00260 182 20 H 1S -0.00015 -0.00028 -0.00011 -0.00433 -0.00193 183 2S -0.00265 -0.00439 -0.00188 -0.01673 -0.00635 184 21 H 1S 0.00000 0.00000 0.00000 0.00008 0.00010 185 2S 0.00013 0.00001 0.00027 0.00142 0.00127 186 22 H 1S -0.00014 -0.00033 -0.00001 -0.00222 -0.00148 187 2S -0.00158 -0.00474 -0.00023 -0.00949 -0.00415 188 23 H 1S 0.08143 0.00962 0.00595 0.03249 0.05357 189 2S 0.05295 0.00575 0.00401 0.00684 0.05341 136 137 138 139 140 136 3PY 0.08740 137 3PZ 0.00000 0.08364 138 4XX 0.00000 0.00000 0.00161 139 4YY 0.00000 0.00000 -0.00013 0.00123 140 4ZZ 0.00000 0.00000 -0.00022 -0.00010 0.00156 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 -0.00022 -0.00061 -0.00001 0.00000 -0.00001 145 2S 0.00175 0.01010 0.00020 -0.00018 0.00030 146 2PX 0.00522 0.01285 -0.00058 -0.00015 0.00102 147 2PY 0.00043 0.00454 0.00027 -0.00006 0.00026 148 2PZ 0.00356 -0.00081 0.00081 -0.00016 -0.00066 149 3S 0.00027 0.00942 0.00088 -0.00033 -0.00007 150 3PX 0.00442 0.00661 -0.00132 0.00012 0.00173 151 3PY -0.00069 0.00083 0.00038 -0.00035 0.00001 152 3PZ 0.00153 -0.00343 0.00124 -0.00033 -0.00087 153 4XX 0.00037 0.00097 0.00005 -0.00003 -0.00010 154 4YY -0.00036 -0.00059 -0.00002 0.00002 -0.00004 155 4ZZ 0.00021 -0.00074 -0.00009 -0.00003 0.00005 156 4XY 0.00009 0.00014 -0.00001 0.00000 -0.00002 157 4XZ 0.00017 0.00000 0.00003 -0.00004 -0.00001 158 4YZ 0.00005 0.00000 -0.00001 0.00000 -0.00002 159 15 C 1S 0.00000 0.00012 0.00000 0.00000 0.00000 160 2S 0.00003 -0.00201 0.00000 0.00000 0.00002 161 2PX 0.00004 -0.00037 -0.00001 0.00000 0.00006 162 2PY 0.00013 -0.00001 0.00000 0.00000 0.00000 163 2PZ 0.00007 -0.00290 0.00001 0.00000 0.00004 164 3S 0.00007 -0.00137 -0.00003 -0.00007 0.00018 165 3PX 0.00009 -0.00113 -0.00023 0.00001 0.00049 166 3PY 0.00106 -0.00025 -0.00001 0.00000 0.00002 167 3PZ 0.00000 -0.00149 0.00016 -0.00010 0.00005 168 4XX 0.00000 0.00014 0.00000 0.00000 0.00000 169 4YY 0.00000 -0.00013 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00024 0.00000 0.00000 0.00000 171 4XY 0.00002 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00016 0.00000 0.00000 0.00000 173 4YZ -0.00006 -0.00001 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S -0.00001 -0.00009 0.00000 0.00000 0.00000 176 17 H 1S 0.00023 0.00000 0.00000 0.00000 0.00000 177 2S 0.00299 0.00013 0.00000 0.00000 0.00000 178 18 H 1S -0.00262 -0.00133 0.00000 0.00002 0.00000 179 2S -0.00791 -0.00417 0.00024 -0.00015 -0.00007 180 19 H 1S 0.00756 0.05195 -0.00099 -0.00081 0.00520 181 2S 0.00717 0.05288 -0.00306 -0.00121 0.00568 182 20 H 1S -0.00115 -0.00145 0.00000 0.00004 -0.00001 183 2S -0.00515 -0.00463 -0.00017 0.00064 -0.00018 184 21 H 1S 0.00002 0.00012 0.00000 0.00000 0.00000 185 2S 0.00016 0.00196 0.00000 0.00000 -0.00002 186 22 H 1S -0.00193 -0.00002 -0.00001 0.00003 0.00000 187 2S -0.00662 -0.00039 -0.00008 -0.00005 0.00021 188 23 H 1S 0.00702 0.00302 0.00518 -0.00087 -0.00094 189 2S 0.00608 0.00313 0.00547 -0.00159 -0.00261 141 142 143 144 145 141 4XY 0.00089 142 4XZ 0.00000 0.00065 143 4YZ 0.00000 0.00000 0.00095 144 14 C 1S -0.00003 -0.00007 -0.00003 2.05494 145 2S 0.00045 0.00120 0.00043 -0.01338 0.32600 146 2PX 0.00019 0.00038 0.00066 0.00000 0.00000 147 2PY 0.00003 0.00065 0.00003 0.00000 0.00000 148 2PZ 0.00068 0.00044 0.00025 0.00000 0.00000 149 3S 0.00016 0.00057 0.00022 -0.03626 0.23449 150 3PX 0.00000 0.00000 0.00015 0.00000 0.00000 151 3PY 0.00014 0.00006 0.00011 0.00000 0.00000 152 3PZ 0.00018 0.00000 0.00000 0.00000 0.00000 153 4XX -0.00003 -0.00003 0.00001 -0.00092 -0.00901 154 4YY 0.00000 -0.00002 0.00000 -0.00146 0.00117 155 4ZZ 0.00000 -0.00002 -0.00003 -0.00109 -0.00530 156 4XY 0.00000 0.00002 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00002 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 -0.00055 160 2S 0.00000 0.00000 0.00000 -0.00060 0.01175 161 2PX 0.00000 0.00000 0.00000 -0.00008 0.00109 162 2PY 0.00000 0.00000 0.00000 -0.00064 0.00957 163 2PZ 0.00000 0.00003 0.00000 -0.00230 0.03310 164 3S 0.00000 0.00002 0.00000 0.00057 0.00549 165 3PX 0.00000 0.00000 0.00000 0.00019 -0.00087 166 3PY -0.00002 0.00000 -0.00005 -0.00040 0.00362 167 3PZ 0.00000 0.00008 0.00000 -0.00061 0.01568 168 4XX 0.00000 0.00000 0.00000 0.00001 -0.00036 169 4YY 0.00000 0.00000 0.00000 0.00001 -0.00045 170 4ZZ 0.00000 0.00000 0.00000 -0.00012 0.00170 171 4XY 0.00000 0.00000 0.00000 -0.00001 0.00010 172 4XZ 0.00000 0.00000 0.00000 -0.00002 0.00017 173 4YZ 0.00000 0.00000 0.00000 -0.00014 0.00145 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 0.00000 0.00000 0.00002 178 18 H 1S 0.00000 0.00000 0.00006 0.00000 0.00000 179 2S 0.00002 0.00000 0.00030 0.00000 0.00008 180 19 H 1S 0.00006 0.00045 0.00199 0.00000 -0.00014 181 2S 0.00002 0.00009 0.00044 0.00018 -0.00271 182 20 H 1S 0.00002 0.00000 0.00002 -0.00197 0.03104 183 2S 0.00005 -0.00006 0.00005 -0.00122 0.01265 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00021 185 2S 0.00000 0.00000 0.00000 0.00026 -0.00353 186 22 H 1S 0.00006 0.00000 0.00001 0.00000 0.00000 187 2S 0.00029 0.00000 0.00003 0.00000 0.00006 188 23 H 1S 0.00172 0.00078 0.00010 0.00000 -0.00018 189 2S 0.00038 0.00015 0.00003 0.00017 -0.00314 146 147 148 149 150 146 2PX 0.34895 147 2PY 0.00000 0.41139 148 2PZ 0.00000 0.00000 0.39186 149 3S 0.00000 0.00000 0.00000 0.29355 150 3PX 0.11484 0.00000 0.00000 0.00000 0.13458 151 3PY 0.00000 0.07561 0.00000 0.00000 0.00000 152 3PZ 0.00000 0.00000 0.09433 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 -0.00634 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00257 0.00000 155 4ZZ 0.00000 0.00000 0.00000 -0.00501 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 -0.00010 -0.00069 -0.00217 -0.00073 0.00003 160 2S 0.00159 0.00979 0.03226 0.01369 -0.00012 161 2PX 0.01557 -0.00035 0.01190 0.00012 0.02857 162 2PY 0.00035 -0.00036 0.02709 0.00626 -0.00001 163 2PZ 0.00939 0.02653 0.03732 0.03439 0.00427 164 3S 0.00073 0.01080 0.01333 -0.01157 0.00067 165 3PX 0.02580 -0.00098 0.00536 -0.00246 0.04679 166 3PY -0.00025 0.00131 0.01498 0.00205 -0.00111 167 3PZ 0.00447 0.00875 0.00074 0.01608 0.00457 168 4XX 0.00004 -0.00019 -0.00062 -0.00084 -0.00011 169 4YY -0.00002 -0.00027 -0.00070 -0.00065 -0.00014 170 4ZZ 0.00041 0.00200 -0.00077 0.00205 0.00052 171 4XY 0.00035 0.00000 0.00029 0.00005 0.00034 172 4XZ 0.00110 0.00021 0.00021 0.00000 0.00069 173 4YZ 0.00028 -0.00003 0.00176 0.00074 0.00003 174 16 H 1S 0.00000 0.00000 0.00000 0.00011 0.00000 175 2S -0.00001 0.00019 0.00034 0.00160 -0.00013 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00006 0.00000 0.00022 0.00003 178 18 H 1S 0.00000 0.00000 0.00000 0.00005 0.00000 179 2S 0.00000 0.00015 0.00016 0.00050 -0.00026 180 19 H 1S -0.00004 0.00000 -0.00050 -0.00280 0.00059 181 2S 0.00023 -0.00011 -0.00842 -0.01128 0.00426 182 20 H 1S 0.00168 0.09663 0.00025 0.04211 0.00016 183 2S 0.00087 0.06397 -0.00001 0.02299 -0.00061 184 21 H 1S -0.00005 0.00000 -0.00066 -0.00370 0.00035 185 2S -0.00095 0.00000 -0.01002 -0.01436 0.00090 186 22 H 1S 0.00000 0.00000 0.00000 -0.00003 0.00020 187 2S 0.00021 0.00010 0.00001 -0.00016 0.00182 188 23 H 1S -0.00038 -0.00001 -0.00009 -0.00075 -0.00497 189 2S -0.00668 -0.00010 -0.00069 -0.00116 -0.01771 151 152 153 154 155 151 3PY 0.05435 152 3PZ 0.00000 0.08689 153 4XX 0.00000 0.00000 0.00127 154 4YY 0.00000 0.00000 -0.00013 0.00185 155 4ZZ 0.00000 0.00000 0.00007 -0.00028 0.00134 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 -0.00067 -0.00155 0.00001 0.00002 -0.00014 160 2S 0.00768 0.01812 -0.00053 -0.00046 0.00189 161 2PX -0.00075 0.00651 0.00006 -0.00001 0.00050 162 2PY -0.00083 0.01220 -0.00020 -0.00025 0.00199 163 2PZ 0.01065 0.00354 -0.00091 -0.00035 -0.00092 164 3S 0.00480 0.00210 -0.00040 -0.00145 0.00253 165 3PX -0.00117 0.00505 -0.00018 -0.00002 0.00049 166 3PY 0.00079 0.01101 -0.00046 -0.00041 0.00106 167 3PZ 0.00413 0.00065 -0.00021 -0.00028 -0.00076 168 4XX -0.00027 -0.00018 0.00002 0.00000 -0.00002 169 4YY -0.00054 -0.00048 -0.00001 0.00004 -0.00012 170 4ZZ 0.00077 -0.00084 0.00001 -0.00017 0.00004 171 4XY 0.00000 0.00009 0.00000 0.00000 -0.00002 172 4XZ 0.00000 0.00003 0.00000 -0.00004 0.00005 173 4YZ 0.00005 0.00010 -0.00005 0.00001 -0.00009 174 16 H 1S 0.00005 0.00019 0.00000 0.00000 0.00000 175 2S 0.00099 0.00242 0.00000 -0.00002 0.00001 176 17 H 1S -0.00002 0.00000 0.00000 0.00000 0.00000 177 2S -0.00012 0.00001 0.00000 0.00000 0.00000 178 18 H 1S -0.00004 0.00007 0.00000 0.00000 0.00000 179 2S -0.00014 0.00109 0.00001 -0.00002 0.00000 180 19 H 1S 0.00001 -0.00303 -0.00001 0.00000 0.00011 181 2S -0.00019 -0.01434 -0.00034 -0.00014 0.00103 182 20 H 1S 0.04339 0.00025 -0.00100 0.00749 -0.00121 183 2S 0.04211 -0.00009 -0.00193 0.00678 -0.00286 184 21 H 1S -0.00008 -0.00328 0.00001 -0.00001 0.00009 185 2S -0.00023 -0.01419 0.00032 -0.00036 0.00050 186 22 H 1S -0.00011 0.00004 0.00000 0.00000 0.00000 187 2S -0.00020 0.00028 0.00000 -0.00002 0.00001 188 23 H 1S 0.00025 -0.00047 0.00013 0.00000 -0.00001 189 2S 0.00063 0.00030 0.00093 -0.00012 -0.00025 156 157 158 159 160 156 4XY 0.00038 157 4XZ 0.00000 0.00090 158 4YZ 0.00000 0.00000 0.00071 159 15 C 1S -0.00001 -0.00002 -0.00013 2.05282 160 2S 0.00009 0.00017 0.00141 -0.01370 0.32755 161 2PX 0.00029 0.00134 0.00027 0.00000 0.00000 162 2PY 0.00000 0.00012 -0.00004 0.00000 0.00000 163 2PZ 0.00026 0.00019 0.00193 0.00000 0.00000 164 3S 0.00003 0.00004 0.00037 -0.02917 0.19680 165 3PX 0.00021 0.00103 0.00002 0.00000 0.00000 166 3PY -0.00001 -0.00002 -0.00001 0.00000 0.00000 167 3PZ 0.00004 0.00003 0.00005 0.00000 0.00000 168 4XX 0.00000 0.00000 -0.00004 -0.00098 -0.00926 169 4YY 0.00000 -0.00002 0.00000 -0.00134 -0.00220 170 4ZZ 0.00000 0.00004 -0.00008 -0.00141 -0.00118 171 4XY 0.00000 -0.00001 0.00000 0.00000 0.00000 172 4XZ 0.00002 -0.00003 -0.00001 0.00000 0.00000 173 4YZ 0.00000 -0.00003 0.00002 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 -0.00255 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 0.00002 0.00000 0.00000 0.00000 181 2S -0.00001 -0.00005 -0.00003 0.00000 0.00014 182 20 H 1S 0.00018 0.00001 0.00002 0.00000 -0.00019 183 2S 0.00003 0.00000 0.00001 0.00019 -0.00279 184 21 H 1S 0.00000 0.00003 -0.00001 -0.00201 0.03151 185 2S 0.00000 0.00013 -0.00004 -0.00121 0.01248 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S -0.00001 0.00000 0.00000 0.00000 0.00001 188 23 H 1S 0.00000 0.00003 0.00000 0.00000 0.00000 189 2S -0.00002 0.00001 -0.00001 0.00000 -0.00004 161 162 163 164 165 161 2PX 0.35515 162 2PY 0.00000 0.41443 163 2PZ 0.00000 0.00000 0.40211 164 3S 0.00000 0.00000 0.00000 0.23666 165 3PX 0.12497 0.00000 0.00000 0.00000 0.14682 166 3PY 0.00000 0.07776 0.00000 0.00000 0.00000 167 3PZ 0.00000 0.00000 0.06992 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 -0.00540 0.00000 169 4YY 0.00000 0.00000 0.00000 -0.00177 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00010 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 -0.00001 -0.00057 -0.00013 -0.00414 0.00006 175 2S -0.00037 -0.00815 -0.00201 -0.01645 -0.00018 176 17 H 1S 0.00000 0.00000 0.00000 0.00014 0.00000 177 2S 0.00000 0.00052 0.00003 0.00203 -0.00002 178 18 H 1S 0.00000 0.00000 0.00000 0.00001 0.00000 179 2S 0.00000 0.00000 -0.00001 0.00032 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00005 0.00007 181 2S 0.00018 0.00002 0.00021 0.00085 0.00129 182 20 H 1S 0.00000 -0.00048 -0.00026 -0.00397 0.00003 183 2S 0.00008 -0.00661 -0.00295 -0.01341 0.00029 184 21 H 1S 0.01630 0.02421 0.05811 0.04222 0.00788 185 2S 0.01123 0.01528 0.03818 0.03625 0.00865 186 22 H 1S 0.00000 0.00000 0.00000 0.00004 0.00007 187 2S 0.00010 -0.00001 -0.00002 0.00062 0.00138 188 23 H 1S -0.00001 0.00000 0.00000 -0.00013 -0.00083 189 2S -0.00059 0.00000 0.00019 -0.00096 -0.00342 166 167 168 169 170 166 3PY 0.05806 167 3PZ 0.00000 0.05819 168 4XX 0.00000 0.00000 0.00073 169 4YY 0.00000 0.00000 0.00004 0.00115 170 4ZZ 0.00000 0.00000 0.00008 -0.00018 0.00110 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 -0.00333 0.00017 0.00000 0.00002 0.00000 175 2S -0.01333 0.00033 0.00010 -0.00017 0.00015 176 17 H 1S 0.00034 -0.00001 0.00000 0.00000 0.00000 177 2S 0.00381 0.00011 0.00000 -0.00001 0.00000 178 18 H 1S 0.00002 0.00001 0.00000 0.00000 0.00000 179 2S 0.00031 0.00023 0.00000 0.00000 0.00000 180 19 H 1S 0.00004 0.00006 0.00000 0.00000 0.00000 181 2S 0.00040 0.00019 0.00000 0.00000 -0.00002 182 20 H 1S -0.00003 -0.00158 0.00000 0.00009 -0.00003 183 2S -0.00224 -0.00516 0.00000 0.00098 -0.00058 184 21 H 1S 0.00986 0.02403 -0.00036 -0.00080 0.00180 185 2S 0.00743 0.01856 0.00032 -0.00129 0.00240 186 22 H 1S -0.00002 0.00004 0.00000 0.00000 0.00000 187 2S -0.00036 -0.00003 0.00000 0.00000 0.00000 188 23 H 1S -0.00001 0.00002 0.00000 0.00000 0.00000 189 2S -0.00002 0.00000 0.00000 0.00000 0.00001 171 172 173 174 175 171 4XY 0.00077 172 4XZ 0.00000 0.00070 173 4YZ 0.00000 0.00000 0.00134 174 16 H 1S 0.00002 0.00000 0.00006 0.21724 175 2S 0.00009 0.00000 0.00029 0.11526 0.16429 176 17 H 1S 0.00000 0.00000 0.00000 -0.00002 -0.00105 177 2S 0.00000 0.00000 -0.00001 -0.00108 -0.00576 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00000 0.00000 0.00000 -0.00018 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 0.00000 0.00000 0.00006 0.00000 0.00000 183 2S 0.00001 -0.00001 0.00016 0.00000 -0.00014 184 21 H 1S 0.00071 0.00150 0.00268 -0.00001 -0.00090 185 2S 0.00016 0.00026 0.00061 -0.00090 -0.00524 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S -0.00001 0.00000 0.00000 0.00000 -0.00006 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S -0.00001 -0.00003 0.00000 0.00000 0.00000 176 177 178 179 180 176 17 H 1S 0.21689 177 2S 0.11507 0.16312 178 18 H 1S -0.00001 -0.00029 0.21677 179 2S -0.00039 -0.00053 0.11803 0.17241 180 19 H 1S 0.00000 0.00000 -0.00004 -0.00166 0.21677 181 2S 0.00000 -0.00016 -0.00166 -0.00812 0.11803 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 183 2S 0.00000 0.00000 0.00000 -0.00016 -0.00029 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 -0.00011 -0.00052 -0.00875 0.00000 187 2S -0.00016 -0.00027 -0.00805 -0.02613 0.00037 188 23 H 1S 0.00000 0.00000 0.00000 0.00043 -0.00052 189 2S 0.00000 -0.00010 0.00037 0.00391 -0.00805 181 182 183 184 185 181 2S 0.17240 182 20 H 1S -0.00039 0.21689 183 2S -0.00053 0.11507 0.16313 184 21 H 1S 0.00000 -0.00002 -0.00108 0.21724 185 2S -0.00018 -0.00105 -0.00576 0.11525 0.16429 186 22 H 1S 0.00043 0.00000 0.00000 0.00000 0.00000 187 2S 0.00391 0.00000 -0.00010 0.00000 0.00000 188 23 H 1S -0.00875 0.00000 -0.00010 0.00000 0.00000 189 2S -0.02613 -0.00016 -0.00027 0.00000 -0.00006 186 187 188 189 186 22 H 1S 0.21519 187 2S 0.11332 0.15965 188 23 H 1S -0.00005 -0.00190 0.21519 189 2S -0.00190 -0.00682 0.11332 0.15965 Gross orbital populations: 1 1 1 C 1S 1.99220 2 2S 0.70368 3 2PX 0.60644 4 2PY 0.75456 5 2PZ 0.64392 6 3S 0.48907 7 3PX 0.27374 8 3PY 0.17607 9 3PZ 0.24779 10 4XX -0.00674 11 4YY 0.00492 12 4ZZ -0.00147 13 4XY 0.01211 14 4XZ 0.01183 15 4YZ 0.01347 16 2 C 1S 1.99220 17 2S 0.70368 18 2PX 0.60644 19 2PY 0.75458 20 2PZ 0.64391 21 3S 0.48907 22 3PX 0.27373 23 3PY 0.17607 24 3PZ 0.24779 25 4XX -0.00674 26 4YY 0.00492 27 4ZZ -0.00147 28 4XY 0.01211 29 4XZ 0.01183 30 4YZ 0.01347 31 3 C 1S 1.99194 32 2S 0.71161 33 2PX 0.67632 34 2PY 0.53364 35 2PZ 0.77482 36 3S 0.44897 37 3PX 0.18880 38 3PY 0.10122 39 3PZ 0.28845 40 4XX 0.00762 41 4YY 0.00402 42 4ZZ 0.01050 43 4XY 0.02513 44 4XZ 0.01633 45 4YZ 0.01270 46 4 O 1S 1.99235 47 2S 0.89849 48 2PX 0.90462 49 2PY 0.96624 50 2PZ 1.04402 51 3S 1.01131 52 3PX 0.48633 53 3PY 0.56110 54 3PZ 0.60066 55 4XX 0.00299 56 4YY -0.00142 57 4ZZ -0.00756 58 4XY 0.00877 59 4XZ 0.00462 60 4YZ 0.00584 61 5 H 1S 0.52886 62 2S 0.31107 63 6 H 1S 0.52886 64 2S 0.31107 65 7 H 1S 0.54065 66 2S 0.33334 67 8 O 1S 1.99235 68 2S 0.89849 69 2PX 0.90462 70 2PY 0.96624 71 2PZ 1.04402 72 3S 1.01130 73 3PX 0.48633 74 3PY 0.56109 75 3PZ 0.60066 76 4XX 0.00299 77 4YY -0.00142 78 4ZZ -0.00756 79 4XY 0.00877 80 4XZ 0.00462 81 4YZ 0.00584 82 9 H 1S 0.54104 83 2S 0.30638 84 10 C 1S 1.99196 85 2S 0.70788 86 2PX 0.60696 87 2PY 0.74878 88 2PZ 0.72128 89 3S 0.49775 90 3PX 0.40281 91 3PY 0.20001 92 3PZ 0.21534 93 4XX -0.01975 94 4YY 0.00166 95 4ZZ 0.00312 96 4XY 0.00646 97 4XZ 0.00532 98 4YZ 0.01200 99 11 C 1S 1.99262 100 2S 0.70375 101 2PX 0.60226 102 2PY 0.72574 103 2PZ 0.69717 104 3S 0.58678 105 3PX 0.33971 106 3PY 0.24543 107 3PZ 0.24618 108 4XX -0.01606 109 4YY 0.01166 110 4ZZ -0.00554 111 4XY 0.00345 112 4XZ 0.00783 113 4YZ 0.00693 114 12 C 1S 1.99218 115 2S 0.68146 116 2PX 0.70887 117 2PY 0.68425 118 2PZ 0.71024 119 3S 0.58576 120 3PX 0.31162 121 3PY 0.27243 122 3PZ 0.30475 123 4XX 0.00442 124 4YY -0.00230 125 4ZZ 0.00462 126 4XY 0.00713 127 4XZ 0.00536 128 4YZ 0.00752 129 13 C 1S 1.99218 130 2S 0.68146 131 2PX 0.70886 132 2PY 0.68425 133 2PZ 0.71024 134 3S 0.58576 135 3PX 0.31162 136 3PY 0.27242 137 3PZ 0.30475 138 4XX 0.00442 139 4YY -0.00230 140 4ZZ 0.00462 141 4XY 0.00713 142 4XZ 0.00535 143 4YZ 0.00752 144 14 C 1S 1.99262 145 2S 0.70375 146 2PX 0.60226 147 2PY 0.72573 148 2PZ 0.69718 149 3S 0.58679 150 3PX 0.33970 151 3PY 0.24543 152 3PZ 0.24618 153 4XX -0.01606 154 4YY 0.01166 155 4ZZ -0.00554 156 4XY 0.00345 157 4XZ 0.00783 158 4YZ 0.00693 159 15 C 1S 1.99196 160 2S 0.70788 161 2PX 0.60696 162 2PY 0.74878 163 2PZ 0.72129 164 3S 0.49775 165 3PX 0.40281 166 3PY 0.20003 167 3PZ 0.21532 168 4XX -0.01975 169 4YY 0.00166 170 4ZZ 0.00312 171 4XY 0.00646 172 4XZ 0.00532 173 4YZ 0.01200 174 16 H 1S 0.53326 175 2S 0.34345 176 17 H 1S 0.53316 177 2S 0.34211 178 18 H 1S 0.53342 179 2S 0.33924 180 19 H 1S 0.53342 181 2S 0.33924 182 20 H 1S 0.53316 183 2S 0.34212 184 21 H 1S 0.53326 185 2S 0.34344 186 22 H 1S 0.52925 187 2S 0.32172 188 23 H 1S 0.52925 189 2S 0.32172 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 4.925822 0.511381 -0.062514 0.232652 0.363413 -0.045550 2 C 0.511381 4.925837 -0.062514 -0.040898 -0.045550 0.363411 3 C -0.062514 -0.062514 4.653401 0.265669 0.005511 0.005511 4 O 0.232652 -0.040898 0.265669 8.198872 -0.034866 0.002095 5 H 0.363413 -0.045550 0.005511 -0.034866 0.566952 -0.000242 6 H -0.045550 0.363411 0.005511 0.002095 -0.000242 0.566947 7 H 0.005053 0.005053 0.344925 -0.050472 0.000721 0.000721 8 O -0.040897 0.232649 0.265671 -0.046016 0.002095 -0.034866 9 H 0.005086 0.005086 0.370047 -0.034080 -0.000316 -0.000316 10 C -0.027139 -0.014277 0.002094 0.002495 0.001155 -0.000241 11 C -0.005099 0.108678 0.001062 -0.000063 0.001566 -0.025383 12 C -0.008676 -0.016330 0.000003 0.000172 0.000177 -0.002067 13 C -0.016332 -0.008677 0.000003 0.000367 -0.002065 0.000177 14 C 0.108684 -0.005098 0.001062 -0.020446 -0.025387 0.001566 15 C -0.014279 -0.027138 0.002093 0.001625 -0.000242 0.001155 16 H 0.000247 0.000046 0.000109 -0.000013 0.000012 -0.000105 17 H 0.000944 -0.008925 -0.000074 -0.000014 -0.000045 0.000007 18 H 0.000464 -0.005290 -0.000011 -0.000004 -0.000511 0.007914 19 H -0.005287 0.000464 -0.000011 0.000142 0.007910 -0.000510 20 H -0.008925 0.000944 -0.000074 0.000694 0.000007 -0.000045 21 H 0.000046 0.000247 0.000109 0.000455 -0.000105 0.000012 22 H 0.000388 0.002106 0.000000 -0.000001 0.000014 -0.000275 23 H 0.002106 0.000388 0.000000 -0.000024 -0.000275 0.000014 7 8 9 10 11 12 1 C 0.005053 -0.040897 0.005086 -0.027139 -0.005099 -0.008676 2 C 0.005053 0.232649 0.005086 -0.014277 0.108678 -0.016330 3 C 0.344925 0.265671 0.370047 0.002094 0.001062 0.000003 4 O -0.050472 -0.046016 -0.034080 0.002495 -0.000063 0.000172 5 H 0.000721 0.002095 -0.000316 0.001155 0.001566 0.000177 6 H 0.000721 -0.034866 -0.000316 -0.000241 -0.025383 -0.002067 7 H 0.685957 -0.050473 -0.067646 0.000173 -0.000104 0.000003 8 O -0.050473 8.198869 -0.034080 0.001624 -0.020445 0.000367 9 H -0.067646 -0.034080 0.603072 -0.000027 0.000223 -0.000003 10 C 0.000173 0.001624 -0.000027 4.863731 0.567567 -0.024796 11 C -0.000104 -0.020445 0.000223 0.567567 4.996732 0.371242 12 C 0.000003 0.000367 -0.000003 -0.024796 0.371242 5.075080 13 C 0.000003 0.000172 -0.000003 -0.030117 -0.035092 0.329149 14 C -0.000104 -0.000063 0.000223 -0.040453 -0.023076 -0.035089 15 C 0.000173 0.002495 -0.000027 0.513840 -0.040451 -0.030118 16 H 0.000002 0.000455 0.000088 0.366954 -0.049076 0.005622 17 H 0.000000 0.000695 0.000003 -0.038390 0.361728 -0.053192 18 H 0.000001 0.000142 -0.000001 0.003489 -0.037711 0.356910 19 H 0.000001 -0.000004 -0.000001 0.000899 0.001629 -0.028744 20 H 0.000000 -0.000014 0.000003 0.007059 0.000197 0.005215 21 H 0.000002 -0.000013 0.000088 -0.050069 0.005863 -0.000116 22 H 0.000000 -0.000024 0.000000 -0.005805 -0.034289 0.368640 23 H 0.000000 -0.000001 0.000000 0.001828 0.002205 -0.035154 13 14 15 16 17 18 1 C -0.016332 0.108684 -0.014279 0.000247 0.000944 0.000464 2 C -0.008677 -0.005098 -0.027138 0.000046 -0.008925 -0.005290 3 C 0.000003 0.001062 0.002093 0.000109 -0.000074 -0.000011 4 O 0.000367 -0.020446 0.001625 -0.000013 -0.000014 -0.000004 5 H -0.002065 -0.025387 -0.000242 0.000012 -0.000045 -0.000511 6 H 0.000177 0.001566 0.001155 -0.000105 0.000007 0.007914 7 H 0.000003 -0.000104 0.000173 0.000002 0.000000 0.000001 8 O 0.000172 -0.000063 0.002495 0.000455 0.000695 0.000142 9 H -0.000003 0.000223 -0.000027 0.000088 0.000003 -0.000001 10 C -0.030117 -0.040453 0.513840 0.366954 -0.038390 0.003489 11 C -0.035092 -0.023076 -0.040451 -0.049076 0.361728 -0.037711 12 C 0.329149 -0.035089 -0.030118 0.005622 -0.053192 0.356910 13 C 5.075080 0.371237 -0.024796 -0.000116 0.005215 -0.028744 14 C 0.371237 4.996756 0.567554 0.005863 0.000197 0.001628 15 C -0.024796 0.567554 4.863745 -0.050071 0.007059 0.000899 16 H -0.000116 0.005863 -0.050071 0.612036 -0.007911 -0.000185 17 H 0.005215 0.000197 0.007059 -0.007911 0.610155 -0.001211 18 H -0.028744 0.001628 0.000899 -0.000185 -0.001211 0.625252 19 H 0.356912 -0.037707 0.003490 0.000016 -0.000165 -0.011487 20 H -0.053191 0.361728 -0.038391 -0.000146 -0.000003 -0.000165 21 H 0.005622 -0.049076 0.366954 -0.007056 -0.000146 0.000016 22 H -0.035153 0.002206 0.001827 -0.000064 -0.000543 -0.043451 23 H 0.368642 -0.034291 -0.005807 -0.000002 -0.000109 0.004712 19 20 21 22 23 1 C -0.005287 -0.008925 0.000046 0.000388 0.002106 2 C 0.000464 0.000944 0.000247 0.002106 0.000388 3 C -0.000011 -0.000074 0.000109 0.000000 0.000000 4 O 0.000142 0.000694 0.000455 -0.000001 -0.000024 5 H 0.007910 0.000007 -0.000105 0.000014 -0.000275 6 H -0.000510 -0.000045 0.000012 -0.000275 0.000014 7 H 0.000001 0.000000 0.000002 0.000000 0.000000 8 O -0.000004 -0.000014 -0.000013 -0.000024 -0.000001 9 H -0.000001 0.000003 0.000088 0.000000 0.000000 10 C 0.000899 0.007059 -0.050069 -0.005805 0.001828 11 C 0.001629 0.000197 0.005863 -0.034289 0.002205 12 C -0.028744 0.005215 -0.000116 0.368640 -0.035154 13 C 0.356912 -0.053191 0.005622 -0.035153 0.368642 14 C -0.037707 0.361728 -0.049076 0.002206 -0.034291 15 C 0.003490 -0.038391 0.366954 0.001827 -0.005807 16 H 0.000016 -0.000146 -0.007056 -0.000064 -0.000002 17 H -0.000165 -0.000003 -0.000146 -0.000543 -0.000109 18 H -0.011487 -0.000165 0.000016 -0.043451 0.004712 19 H 0.625242 -0.001212 -0.000185 0.004711 -0.043449 20 H -0.001212 0.610158 -0.007911 -0.000109 -0.000542 21 H -0.000185 -0.007911 0.612032 -0.000002 -0.000064 22 H 0.004711 -0.000109 -0.000002 0.601477 -0.010679 23 H -0.043449 -0.000542 -0.000064 -0.010679 0.601472 Mulliken charges: 1 1 C 0.078412 2 C 0.078406 3 C 0.207925 4 O -0.478339 5 H 0.160069 6 H 0.160069 7 H 0.126013 8 O -0.478335 9 H 0.152579 10 C -0.101594 11 C -0.147903 12 C -0.278294 13 C -0.278293 14 C -0.147913 15 C -0.101590 16 H 0.123297 17 H 0.124724 18 H 0.127344 19 H 0.127346 20 H 0.124723 21 H 0.123299 22 H 0.149024 23 H 0.149028 Sum of Mulliken charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C 0.238481 2 C 0.238475 3 C 0.486517 4 O -0.478339 8 O -0.478335 10 C 0.021704 11 C -0.023178 12 C -0.001926 13 C -0.001919 14 C -0.023190 15 C 0.021709 APT charges: 1 1 C -0.367730 2 C -0.367702 3 C -0.634932 4 O -0.293032 5 H 0.471995 6 H 0.471993 7 H 0.553546 8 O -0.293027 9 H 0.467206 10 C -0.457303 11 C -0.547894 12 C -0.928947 13 C -0.928980 14 C -0.547909 15 C -0.457295 16 H 0.484413 17 H 0.474788 18 H 0.388653 19 H 0.388697 20 H 0.474802 21 H 0.484424 22 H 0.582126 23 H 0.582109 Sum of APT charges = 0.00000 APT charges with hydrogens summed into heavy atoms: 1 1 C 0.104264 2 C 0.104291 3 C 0.385819 4 O -0.293032 8 O -0.293027 10 C 0.027110 11 C -0.073106 12 C 0.041832 13 C 0.041826 14 C -0.073108 15 C 0.027130 Electronic spatial extent (au): = 1485.1510 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.1277 Y= 0.0001 Z= -1.0840 Tot= 1.0915 Quadrupole moment (field-independent basis, Debye-Ang): XX= -63.5575 YY= -66.3030 ZZ= -62.1438 XY= 0.0001 XZ= -2.8242 YZ= -0.0003 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 0.4439 YY= -2.3016 ZZ= 1.8577 XY= 0.0001 XZ= -2.8242 YZ= -0.0003 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -28.7692 YYY= 0.0004 ZZZ= -0.9038 XYY= 4.0793 XXY= -0.0003 XXZ= 0.4502 XZZ= -11.0206 YZZ= -0.0005 YYZ= -2.8064 XYZ= 0.0008 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1039.8821 YYYY= -453.5190 ZZZZ= -374.8202 XXXY= 0.0026 XXXZ= -18.8582 YYYX= -0.0007 YYYZ= -0.0001 ZZZX= -10.3960 ZZZY= 0.0005 XXYY= -281.2179 XXZZ= -255.2236 YYZZ= -134.5003 XXYZ= -0.0007 YYXZ= -1.1863 ZZXY= -0.0003 N-N= 6.491475919527D+02 E-N=-2.463402956243D+03 KE= 4.958692819813D+02 Orbital energies and kinetic energies (alpha): 1 2 1 O -19.168149 29.026205 2 O -19.168144 29.026414 3 O -10.286020 15.888299 4 O -10.237379 15.880866 5 O -10.236772 15.892190 6 O -10.185784 15.881676 7 O -10.185614 15.887771 8 O -10.184998 15.891301 9 O -10.184983 15.885114 10 O -10.169178 15.876564 11 O -10.168688 15.886139 12 O -1.102111 2.290468 13 O -1.006405 2.783781 14 O -0.830583 1.393776 15 O -0.761098 1.732920 16 O -0.735993 1.473514 17 O -0.729959 1.511907 18 O -0.641461 1.871423 19 O -0.607850 1.696501 20 O -0.606735 1.505385 21 O -0.585295 1.405904 22 O -0.528809 1.344193 23 O -0.500669 1.235650 24 O -0.494693 0.988534 25 O -0.470843 1.372461 26 O -0.453094 1.129705 27 O -0.451443 1.558050 28 O -0.439882 1.455842 29 O -0.408474 1.373781 30 O -0.397518 1.222882 31 O -0.388483 1.335160 32 O -0.379530 1.738110 33 O -0.362683 1.577267 34 O -0.351210 2.030376 35 O -0.345826 1.372136 36 O -0.328500 2.080100 37 O -0.322522 1.474717 38 O -0.317248 1.376123 39 O -0.274648 1.485713 40 O -0.196483 1.364460 41 O -0.190516 1.731260 42 V -0.004620 1.485929 43 V 0.015431 1.609503 44 V 0.081002 0.915250 45 V 0.109309 1.687709 46 V 0.112676 1.183776 47 V 0.119651 0.934082 48 V 0.130578 1.027784 49 V 0.133834 1.168540 50 V 0.145665 1.769717 51 V 0.154505 1.476268 52 V 0.169647 1.340502 53 V 0.171651 1.165979 54 V 0.175192 1.480630 55 V 0.180018 1.673996 56 V 0.197233 1.280017 57 V 0.202999 1.210213 58 V 0.212509 2.247446 59 V 0.242898 1.377332 60 V 0.243185 1.426398 61 V 0.247893 1.298380 62 V 0.305768 1.659865 63 V 0.317430 1.461581 64 V 0.328669 1.784398 65 V 0.375843 2.420562 66 V 0.435525 1.974862 67 V 0.470781 1.836078 68 V 0.482679 1.849502 69 V 0.487318 1.723745 70 V 0.505736 1.943607 71 V 0.530408 2.089004 72 V 0.534099 2.108852 73 V 0.546822 2.682768 74 V 0.570173 2.010605 75 V 0.573647 2.105158 76 V 0.582501 1.892911 77 V 0.582919 2.333169 78 V 0.605967 2.037507 79 V 0.626449 1.941501 80 V 0.646684 2.544743 81 V 0.651716 2.585752 82 V 0.680284 2.396477 83 V 0.691769 2.207436 84 V 0.725478 2.419990 85 V 0.738149 2.502915 86 V 0.747103 2.102214 87 V 0.763058 2.595432 88 V 0.804860 2.689966 89 V 0.813029 2.493343 90 V 0.824739 2.636242 91 V 0.835675 2.550321 92 V 0.847818 2.543865 93 V 0.849115 2.717500 94 V 0.859118 2.467526 95 V 0.866605 2.758920 96 V 0.882302 2.477156 97 V 0.888055 2.763382 98 V 0.891082 2.716580 99 V 0.897253 2.421030 100 V 0.904017 2.640409 101 V 0.919500 2.645898 102 V 0.950553 2.581709 103 V 0.962274 2.723178 104 V 0.973370 2.502670 105 V 0.985602 2.701785 106 V 1.011355 2.626866 107 V 1.053439 2.444079 108 V 1.076121 2.863410 109 V 1.120430 2.670346 110 V 1.129676 2.448751 111 V 1.140317 2.491331 112 V 1.148111 2.912319 113 V 1.199614 2.731639 114 V 1.202984 2.409997 115 V 1.251519 2.442997 116 V 1.289973 2.614725 117 V 1.314324 3.088190 118 V 1.329331 2.513773 119 V 1.399916 2.550917 120 V 1.415033 2.593787 121 V 1.441399 2.613816 122 V 1.462983 2.614761 123 V 1.486728 2.665691 124 V 1.533137 2.751281 125 V 1.563871 2.815543 126 V 1.584143 2.784675 127 V 1.629001 2.826459 128 V 1.644025 2.794674 129 V 1.679848 2.875077 130 V 1.732425 2.883890 131 V 1.746841 2.873344 132 V 1.759801 3.108724 133 V 1.792164 3.008147 134 V 1.857997 3.081153 135 V 1.870891 3.167636 136 V 1.893815 3.375200 137 V 1.898635 3.266015 138 V 1.944174 3.272831 139 V 1.961285 3.454012 140 V 1.963133 3.439942 141 V 1.988868 3.731232 142 V 2.013165 3.677585 143 V 2.015461 3.676409 144 V 2.023240 3.500492 145 V 2.059262 3.569049 146 V 2.077821 3.498398 147 V 2.098814 3.469745 148 V 2.113566 3.535478 149 V 2.181227 3.674448 150 V 2.183720 3.631557 151 V 2.237846 3.551368 152 V 2.261896 3.625851 153 V 2.278228 3.580942 154 V 2.279627 3.533977 155 V 2.316285 3.724502 156 V 2.318616 3.591504 157 V 2.372402 3.754127 158 V 2.414594 3.847205 159 V 2.448603 3.809400 160 V 2.459893 3.794907 161 V 2.464063 3.874413 162 V 2.482325 3.840149 163 V 2.510893 4.035294 164 V 2.550405 3.953401 165 V 2.590777 4.382833 166 V 2.633658 4.414830 167 V 2.648750 4.252941 168 V 2.674128 4.230539 169 V 2.691907 4.389539 170 V 2.701511 4.314816 171 V 2.754759 4.306825 172 V 2.767589 4.287599 173 V 2.803461 4.638543 174 V 2.888679 4.501846 175 V 2.896749 4.660085 176 V 2.943395 4.756900 177 V 3.132758 4.935522 178 V 3.137585 4.878428 179 V 4.011876 10.923878 180 V 4.124321 10.774090 181 V 4.127734 10.127349 182 V 4.223120 10.317895 183 V 4.288362 10.231843 184 V 4.360765 10.435637 185 V 4.379913 10.329781 186 V 4.448625 10.394576 187 V 4.509001 10.502703 188 V 4.603261 10.567489 189 V 4.870961 11.529686 Total kinetic energy from orbitals= 4.958692819813D+02 Exact polarizability: 0.000 0.000 0.000 0.000 0.000 0.000 Approx polarizability: 162.474 -0.003 176.000 16.889 -0.001 166.127 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 -0.000002573 0.000002724 -0.000001706 2 6 -0.000001807 -0.000005042 0.000005684 3 6 0.000000341 -0.000003864 -0.000001854 4 8 -0.000000332 0.000001538 0.000003175 5 1 -0.000000385 0.000000646 -0.000000346 6 1 -0.000000365 0.000000309 0.000000488 7 1 -0.000001808 -0.000000692 0.000002639 8 8 0.000002664 0.000001857 0.000000759 9 1 0.000001964 0.000000478 0.000001462 10 6 0.000000785 0.000000646 0.000000273 11 6 -0.000001394 0.000001416 -0.000001221 12 6 0.000000084 -0.000000667 -0.000001863 13 6 0.000000230 0.000001184 -0.000000852 14 6 0.000001239 -0.000001480 0.000000605 15 6 0.000001412 0.000001539 -0.000000468 16 1 0.000001871 0.000000199 0.000000053 17 1 0.000000618 -0.000000101 -0.000000641 18 1 -0.000000471 0.000000037 -0.000001202 19 1 -0.000001427 0.000000343 -0.000001009 20 1 -0.000001384 -0.000000041 -0.000000955 21 1 0.000000697 -0.000000115 -0.000000135 22 1 -0.000000163 -0.000000978 -0.000000754 23 1 0.000000204 0.000000063 -0.000002132 ------------------------------------------------------------------- Cartesian Forces: Max 0.000005684 RMS 0.000001607 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max 0.000003059 RMS 0.000000588 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 --- -0.02814 0.00047 0.00207 0.00262 0.00320 Eigenvalues --- 0.00509 0.00838 0.01271 0.01404 0.01457 Eigenvalues --- 0.01608 0.01637 0.01909 0.02001 0.02555 Eigenvalues --- 0.02822 0.03232 0.03250 0.03519 0.03646 Eigenvalues --- 0.03880 0.03981 0.04419 0.04942 0.05117 Eigenvalues --- 0.05644 0.05955 0.06977 0.07200 0.08429 Eigenvalues --- 0.08962 0.09810 0.10320 0.11072 0.11541 Eigenvalues --- 0.11834 0.12364 0.13155 0.14699 0.17378 Eigenvalues --- 0.22025 0.23168 0.24435 0.26721 0.28153 Eigenvalues --- 0.29530 0.29696 0.31246 0.32495 0.32656 Eigenvalues --- 0.32770 0.33124 0.34547 0.35130 0.35372 Eigenvalues --- 0.35380 0.35551 0.35788 0.35961 0.40531 Eigenvalues --- 0.42060 0.42957 0.43982 Eigenvectors required to have negative eigenvalues: R4 R7 D5 D1 D11 1 -0.54417 -0.54415 -0.15998 0.15997 0.14213 D29 D93 D49 D61 D80 1 -0.14212 0.12527 -0.12527 0.11899 -0.11899 RFO step: Lambda0=3.257991099D-12 Lambda= 0.00000000D+00. Linear search not attempted -- option 19 set. Iteration 1 RMS(Cart)= 0.00004031 RMS(Int)= 0.00000000 Iteration 2 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000000 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.61426 0.00000 0.00000 -0.00001 -0.00001 2.61425 R2 2.63213 0.00000 0.00000 0.00000 0.00000 2.63212 R3 2.04356 0.00000 0.00000 0.00000 0.00000 2.04356 R4 4.34830 0.00000 0.00000 0.00003 0.00003 4.34832 R5 2.04355 0.00000 0.00000 0.00000 0.00000 2.04356 R6 2.63213 0.00000 0.00000 0.00000 0.00000 2.63212 R7 4.34836 0.00000 0.00000 -0.00004 -0.00004 4.34833 R8 2.68441 0.00000 0.00000 -0.00001 -0.00001 2.68440 R9 2.08725 0.00000 0.00000 0.00000 0.00000 2.08725 R10 2.68439 0.00000 0.00000 0.00001 0.00001 2.68440 R11 2.06655 0.00000 0.00000 0.00000 0.00000 2.06655 R12 4.42221 0.00000 0.00000 -0.00022 -0.00022 4.42199 R13 4.42176 0.00000 0.00000 0.00023 0.00023 4.42199 R14 2.61306 0.00000 0.00000 0.00000 0.00000 2.61306 R15 2.66722 0.00000 0.00000 0.00000 0.00000 2.66722 R16 2.05428 0.00000 0.00000 0.00000 0.00000 2.05428 R17 2.86223 0.00000 0.00000 0.00000 0.00000 2.86224 R18 2.05777 0.00000 0.00000 0.00000 0.00000 2.05777 R19 2.94355 0.00000 0.00000 0.00000 0.00000 2.94355 R20 2.07553 0.00000 0.00000 0.00000 0.00000 2.07553 R21 2.07629 0.00000 0.00000 0.00000 0.00000 2.07629 R22 2.86223 0.00000 0.00000 0.00000 0.00000 2.86224 R23 2.07552 0.00000 0.00000 0.00000 0.00000 2.07553 R24 2.07629 0.00000 0.00000 0.00000 0.00000 2.07629 R25 2.61306 0.00000 0.00000 0.00000 0.00000 2.61306 R26 2.05777 0.00000 0.00000 0.00000 0.00000 2.05777 R27 2.05428 0.00000 0.00000 0.00000 0.00000 2.05428 A1 1.90155 0.00000 0.00000 0.00001 0.00001 1.90156 A2 2.22089 0.00000 0.00000 0.00000 0.00000 2.22089 A3 1.86841 0.00000 0.00000 -0.00002 -0.00002 1.86838 A4 2.03263 0.00000 0.00000 0.00001 0.00001 2.03264 A5 1.78484 0.00000 0.00000 -0.00001 -0.00001 1.78483 A6 1.54604 0.00000 0.00000 0.00001 0.00001 1.54605 A7 2.22090 0.00000 0.00000 -0.00001 -0.00001 2.22089 A8 1.90156 0.00000 0.00000 0.00000 0.00000 1.90156 A9 1.86835 0.00000 0.00000 0.00003 0.00003 1.86838 A10 2.03264 0.00000 0.00000 0.00000 0.00000 2.03264 A11 1.54607 0.00000 0.00000 -0.00002 -0.00002 1.54605 A12 1.78482 0.00000 0.00000 0.00001 0.00001 1.78483 A13 1.91794 0.00000 0.00000 0.00001 0.00001 1.91795 A14 1.87260 0.00000 0.00000 0.00000 0.00000 1.87260 A15 1.91221 0.00000 0.00000 0.00000 0.00000 1.91220 A16 1.91794 0.00000 0.00000 0.00001 0.00001 1.91795 A17 1.93005 0.00000 0.00000 0.00000 0.00000 1.93005 A18 1.91222 0.00000 0.00000 -0.00002 -0.00002 1.91220 A19 1.84721 0.00000 0.00000 0.00000 0.00000 1.84721 A20 1.81539 0.00000 0.00000 0.00002 0.00002 1.81541 A21 1.81541 0.00000 0.00000 0.00000 0.00000 1.81541 A22 1.84721 0.00000 0.00000 0.00000 0.00000 1.84721 A23 2.06894 0.00000 0.00000 -0.00001 -0.00001 2.06893 A24 2.09667 0.00000 0.00000 0.00001 0.00001 2.09668 A25 2.09024 0.00000 0.00000 0.00000 0.00000 2.09024 A26 1.69850 0.00000 0.00000 -0.00001 -0.00001 1.69849 A27 1.64390 0.00000 0.00000 0.00004 0.00004 1.64394 A28 1.73625 0.00000 0.00000 0.00001 0.00001 1.73626 A29 2.10609 0.00000 0.00000 -0.00002 -0.00002 2.10607 A30 2.07695 0.00000 0.00000 0.00001 0.00001 2.07695 A31 2.02369 0.00000 0.00000 0.00000 0.00000 2.02368 A32 1.96917 0.00000 0.00000 0.00001 0.00001 1.96917 A33 1.92273 0.00000 0.00000 0.00001 0.00001 1.92274 A34 1.88599 0.00000 0.00000 -0.00002 -0.00002 1.88597 A35 1.93666 0.00000 0.00000 0.00000 0.00000 1.93667 A36 1.90563 0.00000 0.00000 -0.00001 -0.00001 1.90562 A37 1.83824 0.00000 0.00000 0.00001 0.00001 1.83825 A38 1.96918 0.00000 0.00000 0.00000 0.00000 1.96917 A39 1.93667 0.00000 0.00000 0.00000 0.00000 1.93667 A40 1.90562 0.00000 0.00000 0.00000 0.00000 1.90562 A41 1.92274 0.00000 0.00000 -0.00001 -0.00001 1.92274 A42 1.88595 0.00000 0.00000 0.00002 0.00002 1.88597 A43 1.83825 0.00000 0.00000 0.00000 0.00000 1.83825 A44 1.64396 0.00000 0.00000 -0.00003 -0.00003 1.64394 A45 1.69848 0.00000 0.00000 0.00001 0.00001 1.69849 A46 1.73629 0.00000 0.00000 -0.00003 -0.00003 1.73626 A47 2.10606 0.00000 0.00000 0.00001 0.00001 2.10607 A48 2.02367 0.00000 0.00000 0.00001 0.00001 2.02368 A49 2.07695 0.00000 0.00000 0.00000 0.00000 2.07695 A50 2.06893 0.00000 0.00000 0.00001 0.00001 2.06893 A51 2.09025 0.00000 0.00000 0.00000 0.00000 2.09024 A52 2.09669 0.00000 0.00000 -0.00001 -0.00001 2.09668 A53 1.77321 0.00000 0.00000 -0.00009 -0.00009 1.77312 A54 1.77305 0.00000 0.00000 0.00007 0.00007 1.77312 D1 -2.59241 0.00000 0.00000 0.00002 0.00002 -2.59239 D2 0.00001 0.00000 0.00000 -0.00001 -0.00001 0.00000 D3 1.91792 0.00000 0.00000 0.00002 0.00002 1.91794 D4 -0.00004 0.00000 0.00000 0.00004 0.00004 0.00000 D5 2.59237 0.00000 0.00000 0.00002 0.00002 2.59239 D6 -1.77290 0.00000 0.00000 0.00005 0.00005 -1.77285 D7 1.77281 0.00000 0.00000 0.00004 0.00004 1.77285 D8 -1.91796 0.00000 0.00000 0.00001 0.00001 -1.91794 D9 -0.00004 0.00000 0.00000 0.00005 0.00005 0.00000 D10 0.18717 0.00000 0.00000 -0.00001 -0.00001 0.18717 D11 -2.47171 0.00000 0.00000 -0.00003 -0.00003 -2.47174 D12 2.16069 0.00000 0.00000 -0.00004 -0.00004 2.16065 D13 1.28043 0.00000 0.00000 -0.00002 -0.00002 1.28041 D14 -2.44534 0.00000 0.00000 0.00001 0.00001 -2.44533 D15 -0.64758 0.00000 0.00000 0.00000 0.00000 -0.64757 D16 -1.12701 0.00000 0.00000 -0.00005 -0.00005 -1.12706 D17 0.99656 0.00000 0.00000 -0.00005 -0.00005 0.99651 D18 3.11071 0.00000 0.00000 -0.00005 -0.00005 3.11066 D19 -3.12497 0.00000 0.00000 -0.00004 -0.00004 -3.12502 D20 -1.00141 0.00000 0.00000 -0.00004 -0.00004 -1.00145 D21 1.11274 0.00000 0.00000 -0.00004 -0.00004 1.11270 D22 1.11980 0.00000 0.00000 -0.00005 -0.00005 1.11975 D23 -3.03982 0.00000 0.00000 -0.00005 -0.00005 -3.03987 D24 -0.92567 0.00000 0.00000 -0.00005 -0.00005 -0.92572 D25 -1.28039 0.00000 0.00000 -0.00002 -0.00002 -1.28041 D26 2.44532 0.00000 0.00000 0.00000 0.00000 2.44533 D27 0.64757 0.00000 0.00000 0.00000 0.00000 0.64757 D28 -0.18719 0.00000 0.00000 0.00002 0.00002 -0.18717 D29 2.47175 0.00000 0.00000 -0.00001 -0.00001 2.47174 D30 -2.16063 0.00000 0.00000 -0.00002 -0.00002 -2.16065 D31 -0.99647 0.00000 0.00000 -0.00004 -0.00004 -0.99651 D32 1.12712 0.00000 0.00000 -0.00006 -0.00006 1.12706 D33 -3.11061 0.00000 0.00000 -0.00005 -0.00005 -3.11066 D34 3.03990 0.00000 0.00000 -0.00003 -0.00003 3.03987 D35 -1.11971 0.00000 0.00000 -0.00004 -0.00004 -1.11975 D36 0.92576 0.00000 0.00000 -0.00004 -0.00004 0.92572 D37 1.00147 0.00000 0.00000 -0.00003 -0.00003 1.00145 D38 3.12506 0.00000 0.00000 -0.00004 -0.00004 3.12502 D39 -1.11267 0.00000 0.00000 -0.00003 -0.00003 -1.11270 D40 1.78321 0.00000 0.00000 0.00004 0.00004 1.78325 D41 -0.30146 0.00000 0.00000 0.00002 0.00002 -0.30144 D42 -2.37607 0.00000 0.00000 0.00004 0.00004 -2.37604 D43 0.30146 0.00000 0.00000 -0.00002 -0.00002 0.30144 D44 -1.78321 0.00000 0.00000 -0.00004 -0.00004 -1.78325 D45 2.37607 0.00000 0.00000 -0.00003 -0.00003 2.37604 D46 0.34148 0.00000 0.00000 0.00001 0.00001 0.34149 D47 -0.34151 0.00000 0.00000 0.00002 0.00002 -0.34149 D48 1.15234 0.00000 0.00000 0.00000 0.00000 1.15234 D49 -0.58093 0.00000 0.00000 -0.00003 -0.00003 -0.58096 D50 2.98723 0.00000 0.00000 0.00001 0.00001 2.98724 D51 -1.73970 0.00000 0.00000 0.00000 0.00000 -1.73970 D52 2.81022 0.00000 0.00000 -0.00003 -0.00003 2.81018 D53 0.09519 0.00000 0.00000 0.00001 0.00001 0.09520 D54 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D55 -2.89300 0.00000 0.00000 0.00002 0.00002 -2.89298 D56 2.89298 0.00000 0.00000 0.00000 0.00000 2.89298 D57 -0.00002 0.00000 0.00000 0.00002 0.00002 0.00000 D58 -1.21350 0.00000 0.00000 0.00008 0.00008 -1.21342 D59 0.96144 0.00000 0.00000 0.00009 0.00009 0.96153 D60 2.96110 0.00000 0.00000 0.00010 0.00010 2.96120 D61 0.55039 0.00000 0.00000 0.00009 0.00009 0.55048 D62 2.72532 0.00000 0.00000 0.00010 0.00010 2.72542 D63 -1.55820 0.00000 0.00000 0.00011 0.00011 -1.55809 D64 -3.00539 0.00000 0.00000 0.00005 0.00005 -3.00534 D65 -0.83045 0.00000 0.00000 0.00006 0.00006 -0.83039 D66 1.16921 0.00000 0.00000 0.00007 0.00007 1.16928 D67 0.00010 0.00000 0.00000 -0.00010 -0.00010 0.00000 D68 2.16743 0.00000 0.00000 -0.00011 -0.00011 2.16732 D69 -2.09720 0.00000 0.00000 -0.00012 -0.00012 -2.09732 D70 -2.16720 0.00000 0.00000 -0.00012 -0.00012 -2.16732 D71 0.00013 0.00000 0.00000 -0.00013 -0.00013 0.00000 D72 2.01868 0.00000 0.00000 -0.00013 -0.00013 2.01855 D73 2.09744 0.00000 0.00000 -0.00012 -0.00012 2.09732 D74 -2.01842 0.00000 0.00000 -0.00013 -0.00013 -2.01855 D75 0.00014 0.00000 0.00000 -0.00014 -0.00014 0.00000 D76 -0.61977 0.00000 0.00000 -0.00003 -0.00003 -0.61980 D77 1.57372 0.00000 0.00000 -0.00001 -0.00001 1.57371 D78 -2.64954 0.00000 0.00000 -0.00002 -0.00002 -2.64956 D79 1.21336 0.00000 0.00000 0.00007 0.00007 1.21342 D80 -0.55055 0.00000 0.00000 0.00007 0.00007 -0.55048 D81 3.00532 0.00000 0.00000 0.00002 0.00002 3.00534 D82 -0.96161 0.00000 0.00000 0.00008 0.00008 -0.96153 D83 -2.72551 0.00000 0.00000 0.00008 0.00008 -2.72543 D84 0.83036 0.00000 0.00000 0.00003 0.00003 0.83039 D85 -2.96127 0.00000 0.00000 0.00008 0.00008 -2.96120 D86 1.55801 0.00000 0.00000 0.00008 0.00008 1.55809 D87 -1.16931 0.00000 0.00000 0.00002 0.00002 -1.16928 D88 -1.57370 0.00000 0.00000 -0.00001 -0.00001 -1.57371 D89 0.61982 0.00000 0.00000 -0.00003 -0.00003 0.61980 D90 2.64957 0.00000 0.00000 -0.00001 -0.00001 2.64956 D91 -1.15235 0.00000 0.00000 0.00001 0.00001 -1.15234 D92 1.73970 0.00000 0.00000 0.00000 0.00000 1.73970 D93 0.58098 0.00000 0.00000 -0.00002 -0.00002 0.58096 D94 -2.81015 0.00000 0.00000 -0.00003 -0.00003 -2.81018 D95 -2.98728 0.00000 0.00000 0.00004 0.00004 -2.98724 D96 -0.09523 0.00000 0.00000 0.00003 0.00003 -0.09520 Item Value Threshold Converged? Maximum Force 0.000003 0.000450 YES RMS Force 0.000001 0.000300 YES Maximum Displacement 0.000216 0.001800 YES RMS Displacement 0.000040 0.001200 YES Predicted change in Energy=-6.844878D-10 Optimization completed. -- Stationary point found. ---------------------------- ! Optimized Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.3834 -DE/DX = 0.0 ! ! R2 R(1,4) 1.3929 -DE/DX = 0.0 ! ! R3 R(1,5) 1.0814 -DE/DX = 0.0 ! ! R4 R(1,14) 2.301 -DE/DX = 0.0 ! ! R5 R(2,6) 1.0814 -DE/DX = 0.0 ! ! R6 R(2,8) 1.3929 -DE/DX = 0.0 ! ! R7 R(2,11) 2.3011 -DE/DX = 0.0 ! ! R8 R(3,4) 1.4205 -DE/DX = 0.0 ! ! R9 R(3,7) 1.1045 -DE/DX = 0.0 ! ! R10 R(3,8) 1.4205 -DE/DX = 0.0 ! ! R11 R(3,9) 1.0936 -DE/DX = 0.0 ! ! R12 R(5,19) 2.3401 -DE/DX = 0.0 ! ! R13 R(6,18) 2.3399 -DE/DX = 0.0 ! ! R14 R(10,11) 1.3828 -DE/DX = 0.0 ! ! R15 R(10,15) 1.4114 -DE/DX = 0.0 ! ! R16 R(10,16) 1.0871 -DE/DX = 0.0 ! ! R17 R(11,12) 1.5146 -DE/DX = 0.0 ! ! R18 R(11,17) 1.0889 -DE/DX = 0.0 ! ! R19 R(12,13) 1.5577 -DE/DX = 0.0 ! ! R20 R(12,18) 1.0983 -DE/DX = 0.0 ! ! R21 R(12,22) 1.0987 -DE/DX = 0.0 ! ! R22 R(13,14) 1.5146 -DE/DX = 0.0 ! ! R23 R(13,19) 1.0983 -DE/DX = 0.0 ! ! R24 R(13,23) 1.0987 -DE/DX = 0.0 ! ! R25 R(14,15) 1.3828 -DE/DX = 0.0 ! ! R26 R(14,20) 1.0889 -DE/DX = 0.0 ! ! R27 R(15,21) 1.0871 -DE/DX = 0.0 ! ! A1 A(2,1,4) 108.9508 -DE/DX = 0.0 ! ! A2 A(2,1,5) 127.2476 -DE/DX = 0.0 ! ! A3 A(2,1,14) 107.0518 -DE/DX = 0.0 ! ! A4 A(4,1,5) 116.4612 -DE/DX = 0.0 ! ! A5 A(4,1,14) 102.264 -DE/DX = 0.0 ! ! A6 A(5,1,14) 88.5816 -DE/DX = 0.0 ! ! A7 A(1,2,6) 127.2481 -DE/DX = 0.0 ! ! A8 A(1,2,8) 108.9511 -DE/DX = 0.0 ! ! A9 A(1,2,11) 107.0487 -DE/DX = 0.0 ! ! A10 A(6,2,8) 116.4618 -DE/DX = 0.0 ! ! A11 A(6,2,11) 88.5833 -DE/DX = 0.0 ! ! A12 A(8,2,11) 102.2626 -DE/DX = 0.0 ! ! A13 A(4,3,7) 109.8899 -DE/DX = 0.0 ! ! A14 A(4,3,8) 107.2922 -DE/DX = 0.0 ! ! A15 A(4,3,9) 109.5613 -DE/DX = 0.0 ! ! A16 A(7,3,8) 109.8897 -DE/DX = 0.0 ! ! A17 A(7,3,9) 110.5837 -DE/DX = 0.0 ! ! A18 A(8,3,9) 109.562 -DE/DX = 0.0 ! ! A19 A(1,4,3) 105.8375 -DE/DX = 0.0 ! ! A20 A(1,5,19) 104.0143 -DE/DX = 0.0 ! ! A21 A(2,6,18) 104.0151 -DE/DX = 0.0 ! ! A22 A(2,8,3) 105.8375 -DE/DX = 0.0 ! ! A23 A(11,10,15) 118.5416 -DE/DX = 0.0 ! ! A24 A(11,10,16) 120.1306 -DE/DX = 0.0 ! ! A25 A(15,10,16) 119.7619 -DE/DX = 0.0 ! ! A26 A(2,11,10) 97.3167 -DE/DX = 0.0 ! ! A27 A(2,11,12) 94.1885 -DE/DX = 0.0 ! ! A28 A(2,11,17) 99.4799 -DE/DX = 0.0 ! ! A29 A(10,11,12) 120.67 -DE/DX = 0.0 ! ! A30 A(10,11,17) 119.0002 -DE/DX = 0.0 ! ! A31 A(12,11,17) 115.9488 -DE/DX = 0.0 ! ! A32 A(11,12,13) 112.825 -DE/DX = 0.0 ! ! A33 A(11,12,18) 110.1643 -DE/DX = 0.0 ! ! A34 A(11,12,22) 108.059 -DE/DX = 0.0 ! ! A35 A(13,12,18) 110.9627 -DE/DX = 0.0 ! ! A36 A(13,12,22) 109.1847 -DE/DX = 0.0 ! ! A37 A(18,12,22) 105.3233 -DE/DX = 0.0 ! ! A38 A(12,13,14) 112.8257 -DE/DX = 0.0 ! ! A39 A(12,13,19) 110.963 -DE/DX = 0.0 ! ! A40 A(12,13,23) 109.1841 -DE/DX = 0.0 ! ! A41 A(14,13,19) 110.1651 -DE/DX = 0.0 ! ! A42 A(14,13,23) 108.0572 -DE/DX = 0.0 ! ! A43 A(19,13,23) 105.3239 -DE/DX = 0.0 ! ! A44 A(1,14,13) 94.1922 -DE/DX = 0.0 ! ! A45 A(1,14,15) 97.3159 -DE/DX = 0.0 ! ! A46 A(1,14,20) 99.4824 -DE/DX = 0.0 ! ! A47 A(13,14,15) 120.6685 -DE/DX = 0.0 ! ! A48 A(13,14,20) 115.948 -DE/DX = 0.0 ! ! A49 A(15,14,20) 119.0003 -DE/DX = 0.0 ! ! A50 A(10,15,14) 118.5407 -DE/DX = 0.0 ! ! A51 A(10,15,21) 119.7623 -DE/DX = 0.0 ! ! A52 A(14,15,21) 120.1313 -DE/DX = 0.0 ! ! A53 A(6,18,12) 101.5972 -DE/DX = 0.0 ! ! A54 A(5,19,13) 101.5881 -DE/DX = 0.0 ! ! D1 D(4,1,2,6) -148.5342 -DE/DX = 0.0 ! ! D2 D(4,1,2,8) 0.0004 -DE/DX = 0.0 ! ! D3 D(4,1,2,11) 109.8886 -DE/DX = 0.0 ! ! D4 D(5,1,2,6) -0.0026 -DE/DX = 0.0 ! ! D5 D(5,1,2,8) 148.532 -DE/DX = 0.0 ! ! D6 D(5,1,2,11) -101.5798 -DE/DX = 0.0 ! ! D7 D(14,1,2,6) 101.5747 -DE/DX = 0.0 ! ! D8 D(14,1,2,8) -109.8907 -DE/DX = 0.0 ! ! D9 D(14,1,2,11) -0.0026 -DE/DX = 0.0 ! ! D10 D(2,1,4,3) 10.7242 -DE/DX = 0.0 ! ! D11 D(5,1,4,3) -141.6188 -DE/DX = 0.0 ! ! D12 D(14,1,4,3) 123.7984 -DE/DX = 0.0 ! ! D13 D(2,1,5,19) 73.3632 -DE/DX = 0.0 ! ! D14 D(4,1,5,19) -140.1075 -DE/DX = 0.0 ! ! D15 D(14,1,5,19) -37.1033 -DE/DX = 0.0 ! ! D16 D(2,1,14,13) -64.5728 -DE/DX = 0.0 ! ! D17 D(2,1,14,15) 57.0986 -DE/DX = 0.0 ! ! D18 D(2,1,14,20) 178.2303 -DE/DX = 0.0 ! ! D19 D(4,1,14,13) -179.0478 -DE/DX = 0.0 ! ! D20 D(4,1,14,15) -57.3764 -DE/DX = 0.0 ! ! D21 D(4,1,14,20) 63.7553 -DE/DX = 0.0 ! ! D22 D(5,1,14,13) 64.16 -DE/DX = 0.0 ! ! D23 D(5,1,14,15) -174.1686 -DE/DX = 0.0 ! ! D24 D(5,1,14,20) -53.0368 -DE/DX = 0.0 ! ! D25 D(1,2,6,18) -73.361 -DE/DX = 0.0 ! ! D26 D(8,2,6,18) 140.1067 -DE/DX = 0.0 ! ! D27 D(11,2,6,18) 37.1032 -DE/DX = 0.0 ! ! D28 D(1,2,8,3) -10.7249 -DE/DX = 0.0 ! ! D29 D(6,2,8,3) 141.6206 -DE/DX = 0.0 ! ! D30 D(11,2,8,3) -123.7951 -DE/DX = 0.0 ! ! D31 D(1,2,11,10) -57.0933 -DE/DX = 0.0 ! ! D32 D(1,2,11,12) 64.579 -DE/DX = 0.0 ! ! D33 D(1,2,11,17) -178.2246 -DE/DX = 0.0 ! ! D34 D(6,2,11,10) 174.1732 -DE/DX = 0.0 ! ! D35 D(6,2,11,12) -64.1544 -DE/DX = 0.0 ! ! D36 D(6,2,11,17) 53.042 -DE/DX = 0.0 ! ! D37 D(8,2,11,10) 57.3802 -DE/DX = 0.0 ! ! D38 D(8,2,11,12) 179.0525 -DE/DX = 0.0 ! ! D39 D(8,2,11,17) -63.7511 -DE/DX = 0.0 ! ! D40 D(7,3,4,1) 102.1705 -DE/DX = 0.0 ! ! D41 D(8,3,4,1) -17.2722 -DE/DX = 0.0 ! ! D42 D(9,3,4,1) -136.1389 -DE/DX = 0.0 ! ! D43 D(4,3,8,2) 17.2724 -DE/DX = 0.0 ! ! D44 D(7,3,8,2) -102.1704 -DE/DX = 0.0 ! ! D45 D(9,3,8,2) 136.1387 -DE/DX = 0.0 ! ! D46 D(1,5,19,13) 19.5656 -DE/DX = 0.0 ! ! D47 D(2,6,18,12) -19.5671 -DE/DX = 0.0 ! ! D48 D(15,10,11,2) 66.0245 -DE/DX = 0.0 ! ! D49 D(15,10,11,12) -33.2846 -DE/DX = 0.0 ! ! D50 D(15,10,11,17) 171.1557 -DE/DX = 0.0 ! ! D51 D(16,10,11,2) -99.6773 -DE/DX = 0.0 ! ! D52 D(16,10,11,12) 161.0137 -DE/DX = 0.0 ! ! D53 D(16,10,11,17) 5.454 -DE/DX = 0.0 ! ! D54 D(11,10,15,14) -0.0001 -DE/DX = 0.0 ! ! D55 D(11,10,15,21) -165.7567 -DE/DX = 0.0 ! ! D56 D(16,10,15,14) 165.7556 -DE/DX = 0.0 ! ! D57 D(16,10,15,21) -0.0009 -DE/DX = 0.0 ! ! D58 D(2,11,12,13) -69.5283 -DE/DX = 0.0 ! ! D59 D(2,11,12,18) 55.0863 -DE/DX = 0.0 ! ! D60 D(2,11,12,22) 169.6587 -DE/DX = 0.0 ! ! D61 D(10,11,12,13) 31.5349 -DE/DX = 0.0 ! ! D62 D(10,11,12,18) 156.1495 -DE/DX = 0.0 ! ! D63 D(10,11,12,22) -89.2781 -DE/DX = 0.0 ! ! D64 D(17,11,12,13) -172.196 -DE/DX = 0.0 ! ! D65 D(17,11,12,18) -47.5813 -DE/DX = 0.0 ! ! D66 D(17,11,12,22) 66.9911 -DE/DX = 0.0 ! ! D67 D(11,12,13,14) 0.0056 -DE/DX = 0.0 ! ! D68 D(11,12,13,19) 124.1845 -DE/DX = 0.0 ! ! D69 D(11,12,13,23) -120.1608 -DE/DX = 0.0 ! ! D70 D(18,12,13,14) -124.1715 -DE/DX = 0.0 ! ! D71 D(18,12,13,19) 0.0074 -DE/DX = 0.0 ! ! D72 D(18,12,13,23) 115.6621 -DE/DX = 0.0 ! ! D73 D(22,12,13,14) 120.1744 -DE/DX = 0.0 ! ! D74 D(22,12,13,19) -115.6467 -DE/DX = 0.0 ! ! D75 D(22,12,13,23) 0.0079 -DE/DX = 0.0 ! ! D76 D(11,12,18,6) -35.51 -DE/DX = 0.0 ! ! D77 D(13,12,18,6) 90.1677 -DE/DX = 0.0 ! ! D78 D(22,12,18,6) -151.8074 -DE/DX = 0.0 ! ! D79 D(12,13,14,1) 69.5201 -DE/DX = 0.0 ! ! D80 D(12,13,14,15) -31.5441 -DE/DX = 0.0 ! ! D81 D(12,13,14,20) 172.1923 -DE/DX = 0.0 ! ! D82 D(19,13,14,1) -55.0959 -DE/DX = 0.0 ! ! D83 D(19,13,14,15) -156.1602 -DE/DX = 0.0 ! ! D84 D(19,13,14,20) 47.5762 -DE/DX = 0.0 ! ! D85 D(23,13,14,1) -169.6685 -DE/DX = 0.0 ! ! D86 D(23,13,14,15) 89.2672 -DE/DX = 0.0 ! ! D87 D(23,13,14,20) -66.9963 -DE/DX = 0.0 ! ! D88 D(12,13,19,5) -90.1661 -DE/DX = 0.0 ! ! D89 D(14,13,19,5) 35.5133 -DE/DX = 0.0 ! ! D90 D(23,13,19,5) 151.8093 -DE/DX = 0.0 ! ! D91 D(1,14,15,10) -66.025 -DE/DX = 0.0 ! ! D92 D(1,14,15,21) 99.6775 -DE/DX = 0.0 ! ! D93 D(13,14,15,10) 33.2877 -DE/DX = 0.0 ! ! D94 D(13,14,15,21) -161.0099 -DE/DX = 0.0 ! ! D95 D(20,14,15,10) -171.1587 -DE/DX = 0.0 ! ! D96 D(20,14,15,21) -5.4562 -DE/DX = 0.0 ! -------------------------------------------------------------------------------- GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -0.755776 -0.691652 -0.889961 2 6 0 -0.755804 0.691753 -0.889901 3 6 0 -2.587463 -0.000023 0.207529 4 8 0 -1.797139 -1.144049 -0.083139 5 1 0 -0.450589 -1.346141 -1.694907 6 1 0 -0.450610 1.346332 -1.694770 7 1 0 -3.494608 -0.000006 -0.422603 8 8 0 -1.797179 1.144044 -0.083033 9 1 0 -2.855750 -0.000083 1.267679 10 6 0 0.813609 0.705587 1.466812 11 6 0 1.102815 1.366375 0.287077 12 6 0 2.082704 0.778925 -0.707316 13 6 0 2.082785 -0.778737 -0.707396 14 6 0 1.102863 -1.366407 0.286837 15 6 0 0.813634 -0.705847 1.466694 16 1 0 0.370299 1.245132 2.299942 17 1 0 0.963940 2.445321 0.238584 18 1 0 1.882702 1.171902 -1.713237 19 1 0 1.882954 -1.171636 -1.713381 20 1 0 0.964077 -2.445356 0.238159 21 1 0 0.370359 -1.245553 2.299737 22 1 0 3.087743 1.140021 -0.449050 23 1 0 3.087829 -1.139744 -0.449027 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.383405 0.000000 3 C 2.244529 2.244523 0.000000 4 O 1.392861 2.259516 1.420526 0.000000 5 H 1.081403 2.212285 3.161887 2.109937 0.000000 6 H 2.212289 1.081402 3.161891 3.257682 2.692473 7 H 2.863215 2.863205 1.104526 2.074963 3.563269 8 O 2.259520 1.392862 1.420516 2.288093 3.257678 9 H 3.089267 3.089266 1.093570 2.062529 4.046429 10 C 3.157471 2.831492 3.694722 3.555208 3.975456 11 C 3.012516 2.301056 3.935927 3.853443 3.701225 12 C 3.202019 2.845710 4.822257 4.374998 3.450915 13 C 2.845759 3.202068 4.822313 3.946766 2.777609 14 C 2.301019 3.012537 3.935963 2.931951 2.518121 15 C 2.831443 3.157525 3.694746 3.067595 3.464673 16 H 3.898033 3.427745 3.831052 4.010617 4.831912 17 H 3.751218 2.702961 4.311976 4.539894 4.484915 18 H 3.333494 2.805377 5.004511 4.643498 3.432947 19 H 2.805584 3.333674 5.004718 4.025113 2.340132 20 H 2.702966 3.751262 4.312079 3.069356 2.635583 21 H 3.427705 3.898101 3.831108 3.222801 4.079369 22 H 4.280428 3.894631 5.825698 5.404900 4.500328 23 H 3.894677 4.280452 5.825716 4.898653 3.757023 6 7 8 9 10 6 H 0.000000 7 H 3.563279 0.000000 8 O 2.109944 2.074951 0.000000 9 H 4.046435 1.806984 2.062528 0.000000 10 C 3.464737 4.756941 3.067650 3.741901 0.000000 11 C 2.518184 4.848396 2.931958 4.301049 1.382771 12 C 2.777534 5.638635 3.946712 5.375480 2.518494 13 C 3.450930 5.638691 4.375047 5.375533 2.922534 14 C 3.701216 4.848412 3.853493 4.301106 2.401909 15 C 3.975501 4.756953 3.555291 3.741936 1.411434 16 H 4.079443 4.888776 3.222848 3.608811 1.087078 17 H 2.635638 5.127908 3.069289 4.650706 2.134905 18 H 2.339896 5.652837 4.024906 5.719470 3.387200 19 H 3.433079 5.653052 4.643683 5.719665 3.844619 20 H 4.484914 5.127984 4.539988 4.650844 3.385361 21 H 4.831971 4.888813 4.010734 3.608894 2.167298 22 H 3.756904 6.680397 4.898617 6.290636 3.005153 23 H 4.500333 6.680432 5.404900 6.290631 3.499680 11 12 13 14 15 11 C 0.000000 12 C 1.514628 0.000000 13 C 2.559458 1.557662 0.000000 14 C 2.732782 2.559468 1.514629 0.000000 15 C 2.401921 2.922568 2.518477 1.382771 0.000000 16 H 2.145438 3.491888 4.009082 3.377777 2.167295 17 H 1.088927 2.218836 3.541362 3.814564 3.385366 18 H 2.155760 1.098321 2.203802 3.324373 3.844582 19 H 3.324447 2.203805 1.098320 2.155771 3.387223 20 H 3.814569 3.541361 2.218829 1.088927 2.134906 21 H 3.377789 4.009115 3.491872 2.145445 1.087077 22 H 2.129098 1.098724 2.181356 3.280771 3.499839 23 H 3.280665 2.181348 1.098724 2.129075 3.005032 16 17 18 19 20 16 H 0.000000 17 H 2.458060 0.000000 18 H 4.289328 2.505060 0.000000 19 H 4.922972 4.211547 2.343538 0.000000 20 H 4.268867 4.890677 4.211457 2.505036 0.000000 21 H 2.490685 4.268869 4.922929 4.289350 2.458075 22 H 3.866847 2.585960 1.746800 2.897207 4.223404 23 H 4.541964 4.223317 2.897286 1.746806 2.585956 21 22 23 21 H 0.000000 22 H 4.542133 0.000000 23 H 3.866722 2.279765 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 -0.755776 -0.691652 -0.889961 2 6 0 -0.755804 0.691753 -0.889901 3 6 0 -2.587463 -0.000023 0.207529 4 8 0 -1.797139 -1.144049 -0.083139 5 1 0 -0.450589 -1.346141 -1.694907 6 1 0 -0.450610 1.346332 -1.694770 7 1 0 -3.494608 -0.000006 -0.422603 8 8 0 -1.797179 1.144044 -0.083033 9 1 0 -2.855750 -0.000083 1.267679 10 6 0 0.813609 0.705587 1.466812 11 6 0 1.102815 1.366375 0.287077 12 6 0 2.082704 0.778925 -0.707316 13 6 0 2.082785 -0.778737 -0.707396 14 6 0 1.102863 -1.366407 0.286837 15 6 0 0.813634 -0.705847 1.466694 16 1 0 0.370299 1.245132 2.299942 17 1 0 0.963940 2.445321 0.238584 18 1 0 1.882702 1.171902 -1.713237 19 1 0 1.882954 -1.171636 -1.713381 20 1 0 0.964077 -2.445356 0.238159 21 1 0 0.370359 -1.245553 2.299737 22 1 0 3.087743 1.140021 -0.449050 23 1 0 3.087829 -1.139744 -0.449027 --------------------------------------------------------------------- Rotational constants (GHZ): 1.9534229 0.9990698 0.9274442 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 55776,-0.691652,-0.889961|C,-0.755804,0.691753,-0.889901|C,-2.587463,- 0.000023,0.207529|O,-1.797139,-1.144049,-0.083139|H,-0.450589,-1.34614 1,-1.694907|H,-0.45061,1.346332,-1.69477|H,-3.494608,-0.000006,-0.4226 03|O,-1.797179,1.144044,-0.083033|H,-2.85575,-0.000083,1.267679|C,0.81 3609,0.705587,1.466812|C,1.102815,1.366375,0.287077|C,2.082704,0.77892 5,-0.707316|C,2.082785,-0.778737,-0.707396|C,1.102863,-1.366407,0.2868 37|C,0.813634,-0.705847,1.466694|H,0.370299,1.245132,2.299942|H,0.9639 4,2.445321,0.238584|H,1.882702,1.171902,-1.713237|H,1.882954,-1.171636 ,-1.713381|H,0.964077,-2.445356,0.238159|H,0.370359,-1.245553,2.299737 |H,3.087743,1.140021,-0.44905|H,3.087829,-1.139744,-0.449027||Version= EM64W-G09RevD.01|State=1-A|HF=-500.4905865|RMSD=4.021e-009|RMSF=1.607e -006|Dipole=0.0502472,0.0000232,-0.4264831|Polar=0.,0.,0.,0.,0.,0.|Qua drupole=0.3300316,-1.7111693,1.3811376,0.0000714,-2.0997322,-0.0001946 |PG=C01 [X(C9H12O2)]||@ A people that values its privileges above its principles soon loses both. -- Dwight D. Eisenhower Job cpu time: 0 days 0 hours 9 minutes 44.0 seconds. File lengths (MBytes): RWF= 102 Int= 0 D2E= 0 Chk= 4 Scr= 1 Normal termination of Gaussian 09 at Thu Feb 08 13:40:55 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\endojmol2.chk" ------------------- Title Card Required ------------------- Charge = 0 Multiplicity = 1 Redundant internal coordinates found in file. C,0,-0.755776,-0.691652,-0.889961 C,0,-0.755804,0.691753,-0.889901 C,0,-2.587463,-0.000023,0.207529 O,0,-1.797139,-1.144049,-0.083139 H,0,-0.450589,-1.346141,-1.694907 H,0,-0.45061,1.346332,-1.69477 H,0,-3.494608,-0.000006,-0.422603 O,0,-1.797179,1.144044,-0.083033 H,0,-2.85575,-0.000083,1.267679 C,0,0.813609,0.705587,1.466812 C,0,1.102815,1.366375,0.287077 C,0,2.082704,0.778925,-0.707316 C,0,2.082785,-0.778737,-0.707396 C,0,1.102863,-1.366407,0.286837 C,0,0.813634,-0.705847,1.466694 H,0,0.370299,1.245132,2.299942 H,0,0.96394,2.445321,0.238584 H,0,1.882702,1.171902,-1.713237 H,0,1.882954,-1.171636,-1.713381 H,0,0.964077,-2.445356,0.238159 H,0,0.370359,-1.245553,2.299737 H,0,3.087743,1.140021,-0.44905 H,0,3.087829,-1.139744,-0.449027 Recover connectivity data from disk. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Initialization pass. ---------------------------- ! Initial Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.3834 calculate D2E/DX2 analytically ! ! R2 R(1,4) 1.3929 calculate D2E/DX2 analytically ! ! R3 R(1,5) 1.0814 calculate D2E/DX2 analytically ! ! R4 R(1,14) 2.301 calculate D2E/DX2 analytically ! ! R5 R(2,6) 1.0814 calculate D2E/DX2 analytically ! ! R6 R(2,8) 1.3929 calculate D2E/DX2 analytically ! ! R7 R(2,11) 2.3011 calculate D2E/DX2 analytically ! ! R8 R(3,4) 1.4205 calculate D2E/DX2 analytically ! ! R9 R(3,7) 1.1045 calculate D2E/DX2 analytically ! ! R10 R(3,8) 1.4205 calculate D2E/DX2 analytically ! ! R11 R(3,9) 1.0936 calculate D2E/DX2 analytically ! ! R12 R(5,19) 2.3401 calculate D2E/DX2 analytically ! ! R13 R(6,18) 2.3399 calculate D2E/DX2 analytically ! ! R14 R(10,11) 1.3828 calculate D2E/DX2 analytically ! ! R15 R(10,15) 1.4114 calculate D2E/DX2 analytically ! ! R16 R(10,16) 1.0871 calculate D2E/DX2 analytically ! ! R17 R(11,12) 1.5146 calculate D2E/DX2 analytically ! ! R18 R(11,17) 1.0889 calculate D2E/DX2 analytically ! ! R19 R(12,13) 1.5577 calculate D2E/DX2 analytically ! ! R20 R(12,18) 1.0983 calculate D2E/DX2 analytically ! ! R21 R(12,22) 1.0987 calculate D2E/DX2 analytically ! ! R22 R(13,14) 1.5146 calculate D2E/DX2 analytically ! ! R23 R(13,19) 1.0983 calculate D2E/DX2 analytically ! ! R24 R(13,23) 1.0987 calculate D2E/DX2 analytically ! ! R25 R(14,15) 1.3828 calculate D2E/DX2 analytically ! ! R26 R(14,20) 1.0889 calculate D2E/DX2 analytically ! ! R27 R(15,21) 1.0871 calculate D2E/DX2 analytically ! ! A1 A(2,1,4) 108.9508 calculate D2E/DX2 analytically ! ! A2 A(2,1,5) 127.2476 calculate D2E/DX2 analytically ! ! A3 A(2,1,14) 107.0518 calculate D2E/DX2 analytically ! ! A4 A(4,1,5) 116.4612 calculate D2E/DX2 analytically ! ! A5 A(4,1,14) 102.264 calculate D2E/DX2 analytically ! ! A6 A(5,1,14) 88.5816 calculate D2E/DX2 analytically ! ! A7 A(1,2,6) 127.2481 calculate D2E/DX2 analytically ! ! A8 A(1,2,8) 108.9511 calculate D2E/DX2 analytically ! ! A9 A(1,2,11) 107.0487 calculate D2E/DX2 analytically ! ! A10 A(6,2,8) 116.4618 calculate D2E/DX2 analytically ! ! A11 A(6,2,11) 88.5833 calculate D2E/DX2 analytically ! ! A12 A(8,2,11) 102.2626 calculate D2E/DX2 analytically ! ! A13 A(4,3,7) 109.8899 calculate D2E/DX2 analytically ! ! A14 A(4,3,8) 107.2922 calculate D2E/DX2 analytically ! ! A15 A(4,3,9) 109.5613 calculate D2E/DX2 analytically ! ! A16 A(7,3,8) 109.8897 calculate D2E/DX2 analytically ! ! A17 A(7,3,9) 110.5837 calculate D2E/DX2 analytically ! ! A18 A(8,3,9) 109.562 calculate D2E/DX2 analytically ! ! A19 A(1,4,3) 105.8375 calculate D2E/DX2 analytically ! ! A20 A(1,5,19) 104.0143 calculate D2E/DX2 analytically ! ! A21 A(2,6,18) 104.0151 calculate D2E/DX2 analytically ! ! A22 A(2,8,3) 105.8375 calculate D2E/DX2 analytically ! ! A23 A(11,10,15) 118.5416 calculate D2E/DX2 analytically ! ! A24 A(11,10,16) 120.1306 calculate D2E/DX2 analytically ! ! A25 A(15,10,16) 119.7619 calculate D2E/DX2 analytically ! ! A26 A(2,11,10) 97.3167 calculate D2E/DX2 analytically ! ! A27 A(2,11,12) 94.1885 calculate D2E/DX2 analytically ! ! A28 A(2,11,17) 99.4799 calculate D2E/DX2 analytically ! ! A29 A(10,11,12) 120.67 calculate D2E/DX2 analytically ! ! A30 A(10,11,17) 119.0002 calculate D2E/DX2 analytically ! ! A31 A(12,11,17) 115.9488 calculate D2E/DX2 analytically ! ! A32 A(11,12,13) 112.825 calculate D2E/DX2 analytically ! ! A33 A(11,12,18) 110.1643 calculate D2E/DX2 analytically ! ! A34 A(11,12,22) 108.059 calculate D2E/DX2 analytically ! ! A35 A(13,12,18) 110.9627 calculate D2E/DX2 analytically ! ! A36 A(13,12,22) 109.1847 calculate D2E/DX2 analytically ! ! A37 A(18,12,22) 105.3233 calculate D2E/DX2 analytically ! ! A38 A(12,13,14) 112.8257 calculate D2E/DX2 analytically ! ! A39 A(12,13,19) 110.963 calculate D2E/DX2 analytically ! ! A40 A(12,13,23) 109.1841 calculate D2E/DX2 analytically ! ! A41 A(14,13,19) 110.1651 calculate D2E/DX2 analytically ! ! A42 A(14,13,23) 108.0572 calculate D2E/DX2 analytically ! ! A43 A(19,13,23) 105.3239 calculate D2E/DX2 analytically ! ! A44 A(1,14,13) 94.1922 calculate D2E/DX2 analytically ! ! A45 A(1,14,15) 97.3159 calculate D2E/DX2 analytically ! ! A46 A(1,14,20) 99.4824 calculate D2E/DX2 analytically ! ! A47 A(13,14,15) 120.6685 calculate D2E/DX2 analytically ! ! A48 A(13,14,20) 115.948 calculate D2E/DX2 analytically ! ! A49 A(15,14,20) 119.0003 calculate D2E/DX2 analytically ! ! A50 A(10,15,14) 118.5407 calculate D2E/DX2 analytically ! ! A51 A(10,15,21) 119.7623 calculate D2E/DX2 analytically ! ! A52 A(14,15,21) 120.1313 calculate D2E/DX2 analytically ! ! A53 A(6,18,12) 101.5972 calculate D2E/DX2 analytically ! ! A54 A(5,19,13) 101.5881 calculate D2E/DX2 analytically ! ! D1 D(4,1,2,6) -148.5342 calculate D2E/DX2 analytically ! ! D2 D(4,1,2,8) 0.0004 calculate D2E/DX2 analytically ! ! D3 D(4,1,2,11) 109.8886 calculate D2E/DX2 analytically ! ! D4 D(5,1,2,6) -0.0026 calculate D2E/DX2 analytically ! ! D5 D(5,1,2,8) 148.532 calculate D2E/DX2 analytically ! ! D6 D(5,1,2,11) -101.5798 calculate D2E/DX2 analytically ! ! D7 D(14,1,2,6) 101.5747 calculate D2E/DX2 analytically ! ! D8 D(14,1,2,8) -109.8907 calculate D2E/DX2 analytically ! ! D9 D(14,1,2,11) -0.0026 calculate D2E/DX2 analytically ! ! D10 D(2,1,4,3) 10.7242 calculate D2E/DX2 analytically ! ! D11 D(5,1,4,3) -141.6188 calculate D2E/DX2 analytically ! ! D12 D(14,1,4,3) 123.7984 calculate D2E/DX2 analytically ! ! D13 D(2,1,5,19) 73.3632 calculate D2E/DX2 analytically ! ! D14 D(4,1,5,19) -140.1075 calculate D2E/DX2 analytically ! ! D15 D(14,1,5,19) -37.1033 calculate D2E/DX2 analytically ! ! D16 D(2,1,14,13) -64.5728 calculate D2E/DX2 analytically ! ! D17 D(2,1,14,15) 57.0986 calculate D2E/DX2 analytically ! ! D18 D(2,1,14,20) 178.2303 calculate D2E/DX2 analytically ! ! D19 D(4,1,14,13) -179.0478 calculate D2E/DX2 analytically ! ! D20 D(4,1,14,15) -57.3764 calculate D2E/DX2 analytically ! ! D21 D(4,1,14,20) 63.7553 calculate D2E/DX2 analytically ! ! D22 D(5,1,14,13) 64.16 calculate D2E/DX2 analytically ! ! D23 D(5,1,14,15) -174.1686 calculate D2E/DX2 analytically ! ! D24 D(5,1,14,20) -53.0368 calculate D2E/DX2 analytically ! ! D25 D(1,2,6,18) -73.361 calculate D2E/DX2 analytically ! ! D26 D(8,2,6,18) 140.1067 calculate D2E/DX2 analytically ! ! D27 D(11,2,6,18) 37.1032 calculate D2E/DX2 analytically ! ! D28 D(1,2,8,3) -10.7249 calculate D2E/DX2 analytically ! ! D29 D(6,2,8,3) 141.6206 calculate D2E/DX2 analytically ! ! D30 D(11,2,8,3) -123.7951 calculate D2E/DX2 analytically ! ! D31 D(1,2,11,10) -57.0933 calculate D2E/DX2 analytically ! ! D32 D(1,2,11,12) 64.579 calculate D2E/DX2 analytically ! ! D33 D(1,2,11,17) -178.2246 calculate D2E/DX2 analytically ! ! D34 D(6,2,11,10) 174.1732 calculate D2E/DX2 analytically ! ! D35 D(6,2,11,12) -64.1544 calculate D2E/DX2 analytically ! ! D36 D(6,2,11,17) 53.042 calculate D2E/DX2 analytically ! ! D37 D(8,2,11,10) 57.3802 calculate D2E/DX2 analytically ! ! D38 D(8,2,11,12) 179.0525 calculate D2E/DX2 analytically ! ! D39 D(8,2,11,17) -63.7511 calculate D2E/DX2 analytically ! ! D40 D(7,3,4,1) 102.1705 calculate D2E/DX2 analytically ! ! D41 D(8,3,4,1) -17.2722 calculate D2E/DX2 analytically ! ! D42 D(9,3,4,1) -136.1389 calculate D2E/DX2 analytically ! ! D43 D(4,3,8,2) 17.2724 calculate D2E/DX2 analytically ! ! D44 D(7,3,8,2) -102.1704 calculate D2E/DX2 analytically ! ! D45 D(9,3,8,2) 136.1387 calculate D2E/DX2 analytically ! ! D46 D(1,5,19,13) 19.5656 calculate D2E/DX2 analytically ! ! D47 D(2,6,18,12) -19.5671 calculate D2E/DX2 analytically ! ! D48 D(15,10,11,2) 66.0245 calculate D2E/DX2 analytically ! ! D49 D(15,10,11,12) -33.2846 calculate D2E/DX2 analytically ! ! D50 D(15,10,11,17) 171.1557 calculate D2E/DX2 analytically ! ! D51 D(16,10,11,2) -99.6773 calculate D2E/DX2 analytically ! ! D52 D(16,10,11,12) 161.0137 calculate D2E/DX2 analytically ! ! D53 D(16,10,11,17) 5.454 calculate D2E/DX2 analytically ! ! D54 D(11,10,15,14) -0.0001 calculate D2E/DX2 analytically ! ! D55 D(11,10,15,21) -165.7567 calculate D2E/DX2 analytically ! ! D56 D(16,10,15,14) 165.7556 calculate D2E/DX2 analytically ! ! D57 D(16,10,15,21) -0.0009 calculate D2E/DX2 analytically ! ! D58 D(2,11,12,13) -69.5283 calculate D2E/DX2 analytically ! ! D59 D(2,11,12,18) 55.0863 calculate D2E/DX2 analytically ! ! D60 D(2,11,12,22) 169.6587 calculate D2E/DX2 analytically ! ! D61 D(10,11,12,13) 31.5349 calculate D2E/DX2 analytically ! ! D62 D(10,11,12,18) 156.1495 calculate D2E/DX2 analytically ! ! D63 D(10,11,12,22) -89.2781 calculate D2E/DX2 analytically ! ! D64 D(17,11,12,13) -172.196 calculate D2E/DX2 analytically ! ! D65 D(17,11,12,18) -47.5813 calculate D2E/DX2 analytically ! ! D66 D(17,11,12,22) 66.9911 calculate D2E/DX2 analytically ! ! D67 D(11,12,13,14) 0.0056 calculate D2E/DX2 analytically ! ! D68 D(11,12,13,19) 124.1845 calculate D2E/DX2 analytically ! ! D69 D(11,12,13,23) -120.1608 calculate D2E/DX2 analytically ! ! D70 D(18,12,13,14) -124.1715 calculate D2E/DX2 analytically ! ! D71 D(18,12,13,19) 0.0074 calculate D2E/DX2 analytically ! ! D72 D(18,12,13,23) 115.6621 calculate D2E/DX2 analytically ! ! D73 D(22,12,13,14) 120.1744 calculate D2E/DX2 analytically ! ! D74 D(22,12,13,19) -115.6467 calculate D2E/DX2 analytically ! ! D75 D(22,12,13,23) 0.0079 calculate D2E/DX2 analytically ! ! D76 D(11,12,18,6) -35.51 calculate D2E/DX2 analytically ! ! D77 D(13,12,18,6) 90.1677 calculate D2E/DX2 analytically ! ! D78 D(22,12,18,6) -151.8074 calculate D2E/DX2 analytically ! ! D79 D(12,13,14,1) 69.5201 calculate D2E/DX2 analytically ! ! D80 D(12,13,14,15) -31.5441 calculate D2E/DX2 analytically ! ! D81 D(12,13,14,20) 172.1923 calculate D2E/DX2 analytically ! ! D82 D(19,13,14,1) -55.0959 calculate D2E/DX2 analytically ! ! D83 D(19,13,14,15) -156.1602 calculate D2E/DX2 analytically ! ! D84 D(19,13,14,20) 47.5762 calculate D2E/DX2 analytically ! ! D85 D(23,13,14,1) -169.6685 calculate D2E/DX2 analytically ! ! D86 D(23,13,14,15) 89.2672 calculate D2E/DX2 analytically ! ! D87 D(23,13,14,20) -66.9963 calculate D2E/DX2 analytically ! ! D88 D(12,13,19,5) -90.1661 calculate D2E/DX2 analytically ! ! D89 D(14,13,19,5) 35.5133 calculate D2E/DX2 analytically ! ! D90 D(23,13,19,5) 151.8093 calculate D2E/DX2 analytically ! ! D91 D(1,14,15,10) -66.025 calculate D2E/DX2 analytically ! ! D92 D(1,14,15,21) 99.6775 calculate D2E/DX2 analytically ! ! D93 D(13,14,15,10) 33.2877 calculate D2E/DX2 analytically ! ! D94 D(13,14,15,21) -161.0099 calculate D2E/DX2 analytically ! ! D95 D(20,14,15,10) -171.1587 calculate D2E/DX2 analytically ! ! D96 D(20,14,15,21) -5.4562 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 -0.755776 -0.691652 -0.889961 2 6 0 -0.755804 0.691753 -0.889901 3 6 0 -2.587463 -0.000023 0.207529 4 8 0 -1.797139 -1.144049 -0.083139 5 1 0 -0.450589 -1.346141 -1.694907 6 1 0 -0.450610 1.346332 -1.694770 7 1 0 -3.494608 -0.000006 -0.422603 8 8 0 -1.797179 1.144044 -0.083033 9 1 0 -2.855750 -0.000083 1.267679 10 6 0 0.813609 0.705587 1.466812 11 6 0 1.102815 1.366375 0.287077 12 6 0 2.082704 0.778925 -0.707316 13 6 0 2.082785 -0.778737 -0.707396 14 6 0 1.102863 -1.366407 0.286837 15 6 0 0.813634 -0.705847 1.466694 16 1 0 0.370299 1.245132 2.299942 17 1 0 0.963940 2.445321 0.238584 18 1 0 1.882702 1.171902 -1.713237 19 1 0 1.882954 -1.171636 -1.713381 20 1 0 0.964077 -2.445356 0.238159 21 1 0 0.370359 -1.245553 2.299737 22 1 0 3.087743 1.140021 -0.449050 23 1 0 3.087829 -1.139744 -0.449027 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.383405 0.000000 3 C 2.244529 2.244523 0.000000 4 O 1.392861 2.259516 1.420526 0.000000 5 H 1.081403 2.212285 3.161887 2.109937 0.000000 6 H 2.212289 1.081402 3.161891 3.257682 2.692473 7 H 2.863215 2.863205 1.104526 2.074963 3.563269 8 O 2.259520 1.392862 1.420516 2.288093 3.257678 9 H 3.089267 3.089266 1.093570 2.062529 4.046429 10 C 3.157471 2.831492 3.694722 3.555208 3.975456 11 C 3.012516 2.301056 3.935927 3.853443 3.701225 12 C 3.202019 2.845710 4.822257 4.374998 3.450915 13 C 2.845759 3.202068 4.822313 3.946766 2.777609 14 C 2.301019 3.012537 3.935963 2.931951 2.518121 15 C 2.831443 3.157525 3.694746 3.067595 3.464673 16 H 3.898033 3.427745 3.831052 4.010617 4.831912 17 H 3.751218 2.702961 4.311976 4.539894 4.484915 18 H 3.333494 2.805377 5.004511 4.643498 3.432947 19 H 2.805584 3.333674 5.004718 4.025113 2.340132 20 H 2.702966 3.751262 4.312079 3.069356 2.635583 21 H 3.427705 3.898101 3.831108 3.222801 4.079369 22 H 4.280428 3.894631 5.825698 5.404900 4.500328 23 H 3.894677 4.280452 5.825716 4.898653 3.757023 6 7 8 9 10 6 H 0.000000 7 H 3.563279 0.000000 8 O 2.109944 2.074951 0.000000 9 H 4.046435 1.806984 2.062528 0.000000 10 C 3.464737 4.756941 3.067650 3.741901 0.000000 11 C 2.518184 4.848396 2.931958 4.301049 1.382771 12 C 2.777534 5.638635 3.946712 5.375480 2.518494 13 C 3.450930 5.638691 4.375047 5.375533 2.922534 14 C 3.701216 4.848412 3.853493 4.301106 2.401909 15 C 3.975501 4.756953 3.555291 3.741936 1.411434 16 H 4.079443 4.888776 3.222848 3.608811 1.087078 17 H 2.635638 5.127908 3.069289 4.650706 2.134905 18 H 2.339896 5.652837 4.024906 5.719470 3.387200 19 H 3.433079 5.653052 4.643683 5.719665 3.844619 20 H 4.484914 5.127984 4.539988 4.650844 3.385361 21 H 4.831971 4.888813 4.010734 3.608894 2.167298 22 H 3.756904 6.680397 4.898617 6.290636 3.005153 23 H 4.500333 6.680432 5.404900 6.290631 3.499680 11 12 13 14 15 11 C 0.000000 12 C 1.514628 0.000000 13 C 2.559458 1.557662 0.000000 14 C 2.732782 2.559468 1.514629 0.000000 15 C 2.401921 2.922568 2.518477 1.382771 0.000000 16 H 2.145438 3.491888 4.009082 3.377777 2.167295 17 H 1.088927 2.218836 3.541362 3.814564 3.385366 18 H 2.155760 1.098321 2.203802 3.324373 3.844582 19 H 3.324447 2.203805 1.098320 2.155771 3.387223 20 H 3.814569 3.541361 2.218829 1.088927 2.134906 21 H 3.377789 4.009115 3.491872 2.145445 1.087077 22 H 2.129098 1.098724 2.181356 3.280771 3.499839 23 H 3.280665 2.181348 1.098724 2.129075 3.005032 16 17 18 19 20 16 H 0.000000 17 H 2.458060 0.000000 18 H 4.289328 2.505060 0.000000 19 H 4.922972 4.211547 2.343538 0.000000 20 H 4.268867 4.890677 4.211457 2.505036 0.000000 21 H 2.490685 4.268869 4.922929 4.289350 2.458075 22 H 3.866847 2.585960 1.746800 2.897207 4.223404 23 H 4.541964 4.223317 2.897286 1.746806 2.585956 21 22 23 21 H 0.000000 22 H 4.542133 0.000000 23 H 3.866722 2.279765 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 -0.755776 -0.691652 -0.889961 2 6 0 -0.755804 0.691753 -0.889901 3 6 0 -2.587463 -0.000023 0.207529 4 8 0 -1.797139 -1.144049 -0.083139 5 1 0 -0.450589 -1.346141 -1.694907 6 1 0 -0.450610 1.346332 -1.694770 7 1 0 -3.494608 -0.000006 -0.422603 8 8 0 -1.797179 1.144044 -0.083033 9 1 0 -2.855750 -0.000083 1.267679 10 6 0 0.813609 0.705587 1.466812 11 6 0 1.102815 1.366375 0.287077 12 6 0 2.082704 0.778925 -0.707316 13 6 0 2.082785 -0.778737 -0.707396 14 6 0 1.102863 -1.366407 0.286837 15 6 0 0.813634 -0.705847 1.466694 16 1 0 0.370299 1.245132 2.299942 17 1 0 0.963940 2.445321 0.238584 18 1 0 1.882702 1.171902 -1.713237 19 1 0 1.882954 -1.171636 -1.713381 20 1 0 0.964077 -2.445356 0.238159 21 1 0 0.370359 -1.245553 2.299737 22 1 0 3.087743 1.140021 -0.449050 23 1 0 3.087829 -1.139744 -0.449027 --------------------------------------------------------------------- Rotational constants (GHZ): 1.9534229 0.9990698 0.9274442 Standard basis: 6-31G(d) (6D, 7F) AO basis set (Overlap normalization): Atom C1 Shell 1 S 6 bf 1 - 1 -1.428209617444 -1.307032842778 -1.681782558949 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 -1.428209617444 -1.307032842778 -1.681782558949 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 -1.428209617444 -1.307032842778 -1.681782558949 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C1 Shell 4 D 1 bf 10 - 15 -1.428209617444 -1.307032842778 -1.681782558949 0.8000000000D+00 0.1000000000D+01 Atom C2 Shell 5 S 6 bf 16 - 16 -1.428262794886 1.307223738081 -1.681669175381 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 -1.428262794886 1.307223738081 -1.681669175381 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 -1.428262794886 1.307223738081 -1.681669175381 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C2 Shell 8 D 1 bf 25 - 30 -1.428262794886 1.307223738081 -1.681669175381 0.8000000000D+00 0.1000000000D+01 Atom C3 Shell 9 S 6 bf 31 - 31 -4.889596541152 -0.000043798234 0.392172974632 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 -4.889596541152 -0.000043798234 0.392172974632 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 -4.889596541152 -0.000043798234 0.392172974632 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C3 Shell 12 D 1 bf 40 - 45 -4.889596541152 -0.000043798234 0.392172974632 0.8000000000D+00 0.1000000000D+01 Atom O4 Shell 13 S 6 bf 46 - 46 -3.396100405669 -2.161939475680 -0.157109940962 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 -3.396100405669 -2.161939475680 -0.157109940962 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 -3.396100405669 -2.161939475680 -0.157109940962 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 Atom O4 Shell 16 D 1 bf 55 - 60 -3.396100405669 -2.161939475680 -0.157109940962 0.8000000000D+00 0.1000000000D+01 Atom H5 Shell 17 S 3 bf 61 - 61 -0.851489642704 -2.543837751280 -3.202910050711 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 -0.851489642704 -2.543837751280 -3.202910050711 0.1612777588D+00 0.1000000000D+01 Atom H6 Shell 19 S 3 bf 63 - 63 -0.851529842927 2.544198838905 -3.202651158231 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 -0.851529842927 2.544198838905 -3.202651158231 0.1612777588D+00 0.1000000000D+01 Atom H7 Shell 21 S 3 bf 65 - 65 -6.603852153972 -0.000011846731 -0.798603932936 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H7 Shell 22 S 1 bf 66 - 66 -6.603852153972 -0.000011846731 -0.798603932936 0.1612777588D+00 0.1000000000D+01 Atom O8 Shell 23 S 6 bf 67 - 67 -3.396176433195 2.161929660885 -0.156909629992 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 -3.396176433195 2.161929660885 -0.156909629992 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 -3.396176433195 2.161929660885 -0.156909629992 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 Atom O8 Shell 26 D 1 bf 76 - 81 -3.396176433195 2.161929660885 -0.156909629992 0.8000000000D+00 0.1000000000D+01 Atom H9 Shell 27 S 3 bf 82 - 82 -5.396585496154 -0.000157233215 2.395566134410 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 -5.396585496154 -0.000157233215 2.395566134410 0.1612777588D+00 0.1000000000D+01 Atom C10 Shell 29 S 6 bf 84 - 84 1.537497961853 1.333366510159 2.771872968430 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 1.537497961853 1.333366510159 2.771872968430 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 1.537497961853 1.333366510159 2.771872968430 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C10 Shell 32 D 1 bf 93 - 98 1.537497961853 1.333366510159 2.771872968430 0.8000000000D+00 0.1000000000D+01 Atom C11 Shell 33 S 6 bf 99 - 99 2.084017971210 2.582074917479 0.542496909050 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 2.084017971210 2.582074917479 0.542496909050 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 2.084017971210 2.582074917479 0.542496909050 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C11 Shell 36 D 1 bf 108 - 113 2.084017971210 2.582074917479 0.542496909050 0.8000000000D+00 0.1000000000D+01 Atom C12 Shell 37 S 6 bf 114 - 114 3.935739934414 1.471955488497 -1.336633529408 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 3.935739934414 1.471955488497 -1.336633529408 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 3.935739934414 1.471955488497 -1.336633529408 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C12 Shell 40 D 1 bf 123 - 128 3.935739934414 1.471955488497 -1.336633529408 0.8000000000D+00 0.1000000000D+01 Atom C13 Shell 41 S 6 bf 129 - 129 3.935893300734 -1.471599099090 -1.336784707499 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 3.935893300734 -1.471599099090 -1.336784707499 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 3.935893300734 -1.471599099090 -1.336784707499 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C13 Shell 44 D 1 bf 138 - 143 3.935893300734 -1.471599099090 -1.336784707499 0.8000000000D+00 0.1000000000D+01 Atom C14 Shell 45 S 6 bf 144 - 144 2.084109201764 -2.582134643392 0.542043374779 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 2.084109201764 -2.582134643392 0.542043374779 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 2.084109201764 -2.582134643392 0.542043374779 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C14 Shell 48 D 1 bf 153 - 158 2.084109201764 -2.582134643392 0.542043374779 0.8000000000D+00 0.1000000000D+01 Atom C15 Shell 49 S 6 bf 159 - 159 1.537545475488 -1.333857204479 2.771649980747 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 1.537545475488 -1.333857204479 2.771649980747 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 1.537545475488 -1.333857204479 2.771649980747 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C15 Shell 52 D 1 bf 168 - 173 1.537545475488 -1.333857204479 2.771649980747 0.8000000000D+00 0.1000000000D+01 Atom H16 Shell 53 S 3 bf 174 - 174 0.699763366488 2.352958711573 4.346260501521 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 0.699763366488 2.352958711573 4.346260501521 0.1612777588D+00 0.1000000000D+01 Atom H17 Shell 55 S 3 bf 176 - 176 1.821582047741 4.620987343038 0.450858419688 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 1.821582047741 4.620987343038 0.450858419688 0.1612777588D+00 0.1000000000D+01 Atom H18 Shell 57 S 3 bf 178 - 178 3.557790853076 2.214574356692 -3.237548730727 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 3.557790853076 2.214574356692 -3.237548730727 0.1612777588D+00 0.1000000000D+01 Atom H19 Shell 59 S 3 bf 180 - 180 3.558267513167 -2.214070645270 -3.237820851290 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 3.558267513167 -2.214070645270 -3.237820851290 0.1612777588D+00 0.1000000000D+01 Atom H20 Shell 61 S 3 bf 182 - 182 1.821841877450 -4.621052791339 0.450055286082 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 1.821841877450 -4.621052791339 0.450055286082 0.1612777588D+00 0.1000000000D+01 Atom H21 Shell 63 S 3 bf 184 - 184 0.699877227360 -2.353753821702 4.345873107664 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 0.699877227360 -2.353753821702 4.345873107664 0.1612777588D+00 0.1000000000D+01 Atom H22 Shell 65 S 3 bf 186 - 186 5.834988328084 2.154328228779 -0.848581519972 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 5.834988328084 2.154328228779 -0.848581519972 0.1612777588D+00 0.1000000000D+01 Atom H23 Shell 67 S 3 bf 188 - 188 5.835151281416 -2.153803268543 -0.848538056271 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 5.835151281416 -2.153803268543 -0.848538056271 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 649.1475919527 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= 1.09D-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\endojmol2.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) = -500.490586539 A.U. after 1 cycles NFock= 1 Conv=0.16D-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= 1.28D+02 6.57D+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= 2.61D+01 8.85D-01. 69 vectors produced by pass 2 Test12= 8.43D-15 1.39D-09 XBig12= 1.79D-01 8.97D-02. 69 vectors produced by pass 3 Test12= 8.43D-15 1.39D-09 XBig12= 5.86D-04 4.58D-03. 69 vectors produced by pass 4 Test12= 8.43D-15 1.39D-09 XBig12= 1.07D-06 1.41D-04. 47 vectors produced by pass 5 Test12= 8.43D-15 1.39D-09 XBig12= 9.23D-10 2.85D-06. 6 vectors produced by pass 6 Test12= 8.43D-15 1.39D-09 XBig12= 7.00D-13 9.90D-08. 2 vectors produced by pass 7 Test12= 8.43D-15 1.39D-09 XBig12= 5.76D-16 3.09D-09. InvSVY: IOpt=1 It= 1 EMax= 1.07D-14 Solved reduced A of dimension 400 with 72 vectors. Isotropic polarizability for W= 0.000000 101.59 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 -- -19.16815 -19.16814 -10.28602 -10.23738 -10.23677 Alpha occ. eigenvalues -- -10.18578 -10.18561 -10.18500 -10.18498 -10.16918 Alpha occ. eigenvalues -- -10.16869 -1.10211 -1.00640 -0.83058 -0.76110 Alpha occ. eigenvalues -- -0.73599 -0.72996 -0.64146 -0.60785 -0.60674 Alpha occ. eigenvalues -- -0.58530 -0.52881 -0.50067 -0.49469 -0.47084 Alpha occ. eigenvalues -- -0.45309 -0.45144 -0.43988 -0.40847 -0.39752 Alpha occ. eigenvalues -- -0.38848 -0.37953 -0.36268 -0.35121 -0.34583 Alpha occ. eigenvalues -- -0.32850 -0.32252 -0.31725 -0.27465 -0.19648 Alpha occ. eigenvalues -- -0.19052 Alpha virt. eigenvalues -- -0.00462 0.01543 0.08100 0.10931 0.11268 Alpha virt. eigenvalues -- 0.11965 0.13058 0.13383 0.14567 0.15450 Alpha virt. eigenvalues -- 0.16965 0.17165 0.17519 0.18002 0.19723 Alpha virt. eigenvalues -- 0.20300 0.21251 0.24290 0.24319 0.24789 Alpha virt. eigenvalues -- 0.30577 0.31743 0.32867 0.37584 0.43553 Alpha virt. eigenvalues -- 0.47078 0.48268 0.48732 0.50574 0.53041 Alpha virt. eigenvalues -- 0.53410 0.54682 0.57017 0.57365 0.58250 Alpha virt. eigenvalues -- 0.58292 0.60597 0.62645 0.64668 0.65172 Alpha virt. eigenvalues -- 0.68028 0.69177 0.72548 0.73815 0.74710 Alpha virt. eigenvalues -- 0.76306 0.80486 0.81303 0.82474 0.83568 Alpha virt. eigenvalues -- 0.84782 0.84912 0.85912 0.86660 0.88230 Alpha virt. eigenvalues -- 0.88805 0.89108 0.89725 0.90402 0.91950 Alpha virt. eigenvalues -- 0.95055 0.96227 0.97337 0.98560 1.01135 Alpha virt. eigenvalues -- 1.05344 1.07612 1.12043 1.12968 1.14032 Alpha virt. eigenvalues -- 1.14811 1.19961 1.20298 1.25152 1.28997 Alpha virt. eigenvalues -- 1.31432 1.32933 1.39992 1.41503 1.44140 Alpha virt. eigenvalues -- 1.46298 1.48673 1.53314 1.56387 1.58414 Alpha virt. eigenvalues -- 1.62900 1.64403 1.67985 1.73243 1.74684 Alpha virt. eigenvalues -- 1.75980 1.79216 1.85800 1.87089 1.89382 Alpha virt. eigenvalues -- 1.89864 1.94417 1.96128 1.96313 1.98887 Alpha virt. eigenvalues -- 2.01317 2.01546 2.02324 2.05926 2.07782 Alpha virt. eigenvalues -- 2.09881 2.11357 2.18123 2.18372 2.23785 Alpha virt. eigenvalues -- 2.26190 2.27823 2.27963 2.31629 2.31862 Alpha virt. eigenvalues -- 2.37240 2.41459 2.44860 2.45989 2.46406 Alpha virt. eigenvalues -- 2.48233 2.51089 2.55040 2.59078 2.63366 Alpha virt. eigenvalues -- 2.64875 2.67413 2.69191 2.70151 2.75476 Alpha virt. eigenvalues -- 2.76759 2.80346 2.88868 2.89675 2.94340 Alpha virt. eigenvalues -- 3.13276 3.13758 4.01188 4.12432 4.12773 Alpha virt. eigenvalues -- 4.22312 4.28836 4.36076 4.37991 4.44863 Alpha virt. eigenvalues -- 4.50900 4.60326 4.87096 Molecular Orbital Coefficients: 1 2 3 4 5 O O O O O Eigenvalues -- -19.16815 -19.16814 -10.28602 -10.23738 -10.23677 1 1 C 1S -0.00001 0.00000 -0.00012 0.70222 -0.70219 2 2S -0.00012 0.00027 -0.00037 0.03461 -0.03561 3 2PX 0.00019 -0.00017 -0.00006 -0.00042 0.00032 4 2PY 0.00007 -0.00013 -0.00013 -0.00028 -0.00007 5 2PZ -0.00016 0.00016 0.00003 0.00052 -0.00061 6 3S 0.00145 -0.00151 0.00100 -0.00727 0.01891 7 3PX -0.00101 0.00051 -0.00084 -0.00005 0.00001 8 3PY -0.00040 0.00055 0.00051 0.00055 0.00447 9 3PZ 0.00091 -0.00049 0.00071 -0.00060 0.00249 10 4XX -0.00008 0.00006 0.00012 -0.00638 0.00611 11 4YY -0.00014 0.00001 -0.00003 -0.00643 0.00590 12 4ZZ -0.00006 0.00001 -0.00006 -0.00635 0.00607 13 4XY -0.00003 0.00007 -0.00004 0.00009 0.00004 14 4XZ 0.00005 -0.00005 -0.00017 -0.00020 0.00020 15 4YZ 0.00002 -0.00007 -0.00001 0.00008 -0.00001 16 2 C 1S 0.00001 0.00000 -0.00012 0.70184 0.70256 17 2S 0.00019 0.00023 -0.00037 0.03459 0.03563 18 2PX -0.00023 -0.00011 -0.00006 -0.00042 -0.00032 19 2PY 0.00010 0.00011 0.00013 0.00028 -0.00007 20 2PZ 0.00019 0.00012 0.00003 0.00052 0.00061 21 3S -0.00178 -0.00109 0.00100 -0.00726 -0.01891 22 3PX 0.00111 0.00023 -0.00084 -0.00005 -0.00002 23 3PY -0.00053 -0.00043 -0.00051 -0.00055 0.00447 24 3PZ -0.00101 -0.00024 0.00071 -0.00060 -0.00249 25 4XX 0.00009 0.00004 0.00012 -0.00638 -0.00611 26 4YY 0.00014 -0.00003 -0.00003 -0.00643 -0.00590 27 4ZZ 0.00006 -0.00001 -0.00006 -0.00634 -0.00607 28 4XY -0.00004 -0.00006 0.00004 -0.00009 0.00004 29 4XZ -0.00006 -0.00003 -0.00017 -0.00020 -0.00020 30 4YZ 0.00004 0.00007 0.00001 -0.00008 -0.00001 31 3 C 1S 0.00000 0.00002 0.99303 0.00002 0.00000 32 2S 0.00005 0.00036 0.04865 -0.00053 0.00000 33 2PX 0.00003 0.00027 0.00093 0.00014 0.00000 34 2PY 0.00043 -0.00006 0.00000 0.00000 -0.00006 35 2PZ -0.00001 -0.00007 -0.00040 -0.00001 0.00000 36 3S -0.00036 -0.00275 -0.01346 0.00269 0.00000 37 3PX -0.00011 -0.00081 -0.00021 0.00125 0.00000 38 3PY -0.00117 0.00015 0.00000 0.00000 -0.00003 39 3PZ 0.00001 0.00011 0.00041 -0.00115 0.00000 40 4XX 0.00002 0.00015 -0.00874 0.00018 0.00000 41 4YY 0.00005 0.00037 -0.00875 0.00004 0.00000 42 4ZZ 0.00000 0.00003 -0.00880 -0.00009 0.00000 43 4XY 0.00019 -0.00002 0.00000 0.00000 0.00004 44 4XZ -0.00001 -0.00006 -0.00006 -0.00017 0.00000 45 4YZ -0.00006 0.00001 0.00000 0.00000 -0.00006 46 4 O 1S -0.60555 0.78662 -0.00006 -0.00003 0.00013 47 2S -0.01565 0.02045 0.00005 0.00011 0.00031 48 2PX -0.00009 0.00009 0.00010 -0.00010 0.00007 49 2PY -0.00055 0.00068 0.00000 0.00004 0.00003 50 2PZ 0.00019 -0.00025 -0.00005 0.00003 -0.00003 51 3S -0.00823 0.01027 0.00094 -0.00008 -0.00324 52 3PX -0.00023 0.00020 -0.00058 0.00043 -0.00052 53 3PY -0.00016 0.00036 -0.00045 -0.00072 -0.00023 54 3PZ 0.00019 -0.00011 0.00039 0.00015 0.00001 55 4XX 0.00502 -0.00651 -0.00014 -0.00015 0.00034 56 4YY 0.00503 -0.00659 -0.00049 -0.00001 0.00036 57 4ZZ 0.00504 -0.00647 0.00005 -0.00005 0.00033 58 4XY -0.00002 0.00002 0.00025 -0.00004 0.00016 59 4XZ -0.00001 0.00003 0.00017 0.00030 -0.00037 60 4YZ 0.00000 0.00001 -0.00004 0.00014 -0.00014 61 5 H 1S 0.00000 0.00011 0.00006 -0.00027 0.00008 62 2S 0.00008 0.00006 0.00031 0.00163 -0.00089 63 6 H 1S 0.00003 0.00011 0.00006 -0.00027 -0.00008 64 2S -0.00006 0.00008 0.00031 0.00163 0.00089 65 7 H 1S 0.00002 0.00013 -0.00010 -0.00021 0.00000 66 2S 0.00000 -0.00002 0.00276 -0.00014 0.00000 67 8 O 1S 0.78661 0.60556 -0.00006 -0.00003 -0.00013 68 2S 0.02036 0.01577 0.00005 0.00011 -0.00031 69 2PX 0.00011 0.00007 0.00010 -0.00010 -0.00007 70 2PY -0.00071 -0.00052 0.00000 -0.00004 0.00003 71 2PZ -0.00025 -0.00019 -0.00005 0.00003 0.00003 72 3S 0.01058 0.00782 0.00094 -0.00008 0.00324 73 3PX 0.00028 0.00014 -0.00058 0.00043 0.00052 74 3PY -0.00025 -0.00030 0.00045 0.00072 -0.00023 75 3PZ -0.00021 -0.00006 0.00039 0.00015 -0.00001 76 4XX -0.00652 -0.00501 -0.00014 -0.00015 -0.00034 77 4YY -0.00654 -0.00508 -0.00049 -0.00001 -0.00036 78 4ZZ -0.00653 -0.00496 0.00005 -0.00005 -0.00033 79 4XY -0.00003 -0.00001 -0.00025 0.00004 0.00016 80 4XZ 0.00001 0.00003 0.00017 0.00030 0.00037 81 4YZ -0.00001 -0.00001 0.00004 -0.00014 -0.00014 82 9 H 1S 0.00002 0.00017 -0.00017 -0.00001 0.00000 83 2S 0.00002 0.00014 0.00248 0.00023 0.00000 84 10 C 1S 0.00003 0.00001 -0.00001 -0.00016 -0.00014 85 2S 0.00008 0.00000 -0.00003 -0.00021 -0.00032 86 2PX -0.00006 -0.00004 0.00004 0.00009 0.00005 87 2PY 0.00001 0.00001 0.00001 0.00005 -0.00002 88 2PZ -0.00002 -0.00002 -0.00004 0.00014 0.00014 89 3S -0.00097 0.00003 0.00056 0.00021 0.00042 90 3PX 0.00010 0.00001 -0.00004 -0.00015 -0.00041 91 3PY 0.00029 -0.00001 0.00012 -0.00018 -0.00110 92 3PZ 0.00033 0.00005 -0.00013 -0.00010 0.00054 93 4XX 0.00008 0.00003 -0.00003 -0.00015 -0.00015 94 4YY 0.00005 0.00003 -0.00001 -0.00013 -0.00013 95 4ZZ 0.00003 0.00002 0.00000 -0.00014 -0.00013 96 4XY -0.00001 0.00001 -0.00001 0.00004 0.00008 97 4XZ 0.00001 0.00001 -0.00002 0.00003 0.00002 98 4YZ -0.00001 0.00000 0.00000 -0.00004 0.00001 99 11 C 1S -0.00001 -0.00001 0.00003 -0.00009 -0.00025 100 2S -0.00011 -0.00008 0.00008 -0.00040 -0.00093 101 2PX -0.00003 -0.00004 -0.00004 0.00006 0.00005 102 2PY 0.00000 0.00001 -0.00004 0.00007 0.00013 103 2PZ 0.00002 0.00002 0.00002 -0.00002 -0.00005 104 3S 0.00094 0.00044 -0.00054 0.00143 0.00418 105 3PX 0.00006 0.00014 0.00018 -0.00077 -0.00116 106 3PY -0.00039 -0.00016 0.00038 -0.00028 -0.00133 107 3PZ -0.00018 -0.00026 -0.00029 -0.00005 0.00027 108 4XX 0.00003 0.00001 0.00004 -0.00002 -0.00012 109 4YY 0.00000 -0.00001 0.00003 -0.00018 -0.00028 110 4ZZ 0.00000 0.00000 0.00002 -0.00010 -0.00022 111 4XY -0.00001 -0.00001 -0.00002 0.00008 0.00014 112 4XZ -0.00001 0.00000 0.00002 0.00008 0.00009 113 4YZ 0.00001 0.00002 0.00002 0.00000 0.00001 114 12 C 1S 0.00002 0.00001 -0.00002 -0.00007 -0.00005 115 2S 0.00012 0.00006 -0.00005 -0.00009 -0.00007 116 2PX -0.00001 0.00001 0.00004 0.00013 0.00014 117 2PY 0.00000 -0.00002 0.00004 0.00003 -0.00001 118 2PZ -0.00002 -0.00001 0.00000 0.00005 -0.00002 119 3S -0.00089 -0.00037 0.00003 0.00021 -0.00052 120 3PX 0.00045 0.00014 -0.00022 -0.00031 -0.00031 121 3PY 0.00014 -0.00009 -0.00017 0.00004 0.00019 122 3PZ -0.00014 -0.00010 0.00006 -0.00029 -0.00052 123 4XX 0.00001 0.00000 -0.00002 -0.00005 -0.00006 124 4YY 0.00002 0.00002 -0.00003 -0.00005 -0.00005 125 4ZZ 0.00002 0.00001 -0.00002 -0.00003 -0.00003 126 4XY 0.00000 0.00001 0.00000 -0.00003 0.00001 127 4XZ 0.00002 0.00002 -0.00002 0.00002 0.00001 128 4YZ 0.00000 0.00000 -0.00001 0.00002 0.00005 129 13 C 1S -0.00002 0.00002 -0.00002 -0.00007 0.00005 130 2S -0.00010 0.00009 -0.00005 -0.00009 0.00007 131 2PX 0.00002 0.00000 0.00004 0.00013 -0.00014 132 2PY 0.00000 0.00002 -0.00004 -0.00003 -0.00001 133 2PZ 0.00001 -0.00002 0.00000 0.00005 0.00002 134 3S 0.00076 -0.00059 0.00003 0.00021 0.00052 135 3PX -0.00040 0.00025 -0.00022 -0.00031 0.00031 136 3PY 0.00016 0.00005 0.00017 -0.00004 0.00019 137 3PZ 0.00011 -0.00013 0.00006 -0.00029 0.00052 138 4XX -0.00001 0.00000 -0.00002 -0.00005 0.00006 139 4YY -0.00001 0.00002 -0.00003 -0.00005 0.00004 140 4ZZ -0.00001 0.00001 -0.00002 -0.00003 0.00003 141 4XY 0.00000 -0.00001 0.00000 0.00003 0.00001 142 4XZ -0.00002 0.00002 -0.00002 0.00002 -0.00001 143 4YZ 0.00000 0.00000 0.00001 -0.00002 0.00005 144 14 C 1S 0.00001 -0.00001 0.00003 -0.00009 0.00025 145 2S 0.00009 -0.00010 0.00008 -0.00040 0.00093 146 2PX 0.00002 -0.00004 -0.00004 0.00006 -0.00005 147 2PY -0.00001 -0.00001 0.00004 -0.00007 0.00013 148 2PZ -0.00001 0.00003 0.00002 -0.00002 0.00005 149 3S -0.00080 0.00067 -0.00054 0.00143 -0.00418 150 3PX -0.00002 0.00015 0.00018 -0.00077 0.00116 151 3PY -0.00034 0.00025 -0.00038 0.00028 -0.00133 152 3PZ 0.00011 -0.00030 -0.00029 -0.00005 -0.00027 153 4XX -0.00003 0.00002 0.00004 -0.00002 0.00012 154 4YY 0.00000 -0.00001 0.00003 -0.00018 0.00028 155 4ZZ 0.00000 0.00000 0.00002 -0.00010 0.00022 156 4XY 0.00000 0.00001 0.00002 -0.00008 0.00014 157 4XZ 0.00001 -0.00001 0.00002 0.00008 -0.00009 158 4YZ 0.00001 -0.00002 -0.00002 0.00000 0.00001 159 15 C 1S -0.00002 0.00001 -0.00001 -0.00016 0.00014 160 2S -0.00008 0.00002 -0.00003 -0.00021 0.00032 161 2PX 0.00005 -0.00005 0.00004 0.00009 -0.00005 162 2PY 0.00001 -0.00001 -0.00001 -0.00005 -0.00002 163 2PZ 0.00001 -0.00002 -0.00004 0.00014 -0.00014 164 3S 0.00094 -0.00022 0.00056 0.00021 -0.00042 165 3PX -0.00009 0.00004 -0.00004 -0.00015 0.00041 166 3PY 0.00028 -0.00007 -0.00012 0.00018 -0.00110 167 3PZ -0.00031 0.00013 -0.00013 -0.00010 -0.00054 168 4XX -0.00007 0.00005 -0.00003 -0.00015 0.00015 169 4YY -0.00004 0.00004 -0.00001 -0.00013 0.00013 170 4ZZ -0.00003 0.00002 0.00000 -0.00014 0.00013 171 4XY -0.00002 -0.00001 0.00001 -0.00004 0.00008 172 4XZ -0.00001 0.00001 -0.00002 0.00003 -0.00002 173 4YZ -0.00001 0.00000 0.00000 0.00004 0.00001 174 16 H 1S 0.00004 0.00001 -0.00003 0.00005 -0.00002 175 2S -0.00006 -0.00001 -0.00005 -0.00014 -0.00013 176 17 H 1S 0.00000 0.00000 0.00000 -0.00007 -0.00009 177 2S 0.00006 0.00003 -0.00012 -0.00010 -0.00006 178 18 H 1S 0.00006 0.00002 -0.00002 -0.00003 -0.00004 179 2S -0.00003 -0.00001 0.00007 -0.00036 -0.00027 180 19 H 1S -0.00005 0.00004 -0.00002 -0.00003 0.00004 181 2S 0.00002 -0.00001 0.00007 -0.00036 0.00027 182 20 H 1S 0.00000 0.00000 0.00000 -0.00007 0.00009 183 2S -0.00005 0.00004 -0.00012 -0.00010 0.00006 184 21 H 1S -0.00004 0.00002 -0.00003 0.00005 0.00002 185 2S 0.00005 -0.00003 -0.00005 -0.00014 0.00013 186 22 H 1S 0.00000 0.00001 0.00002 0.00000 0.00004 187 2S -0.00010 -0.00001 0.00011 0.00031 0.00036 188 23 H 1S 0.00000 0.00001 0.00002 0.00000 -0.00004 189 2S 0.00009 -0.00003 0.00011 0.00031 -0.00036 6 7 8 9 10 O O O O O Eigenvalues -- -10.18578 -10.18561 -10.18500 -10.18498 -10.16918 1 1 C 1S 0.00001 0.00002 -0.00020 -0.00011 0.00001 2 2S -0.00010 0.00020 -0.00133 -0.00053 -0.00027 3 2PX -0.00011 0.00009 -0.00016 -0.00008 -0.00007 4 2PY 0.00003 -0.00006 0.00008 -0.00005 -0.00017 5 2PZ 0.00003 -0.00005 -0.00009 -0.00002 -0.00020 6 3S 0.00045 -0.00068 0.00979 0.00231 0.00076 7 3PX 0.00068 -0.00175 0.00019 0.00036 -0.00033 8 3PY -0.00016 0.00022 0.00199 -0.00064 0.00043 9 3PZ -0.00043 0.00128 0.00398 0.00076 0.00097 10 4XX -0.00009 0.00011 -0.00002 0.00000 -0.00015 11 4YY -0.00007 0.00013 -0.00026 -0.00014 -0.00014 12 4ZZ -0.00012 0.00011 -0.00021 -0.00011 -0.00016 13 4XY -0.00004 -0.00003 0.00004 -0.00006 0.00003 14 4XZ 0.00006 -0.00007 0.00000 0.00006 -0.00006 15 4YZ 0.00005 -0.00004 0.00001 -0.00008 -0.00006 16 2 C 1S 0.00001 -0.00002 0.00020 -0.00011 0.00001 17 2S -0.00010 -0.00020 0.00131 -0.00057 -0.00027 18 2PX -0.00011 -0.00009 0.00015 -0.00009 -0.00007 19 2PY -0.00003 -0.00006 0.00008 0.00005 0.00017 20 2PZ 0.00003 0.00005 0.00009 -0.00003 -0.00020 21 3S 0.00045 0.00068 -0.00972 0.00260 0.00076 22 3PX 0.00068 0.00175 -0.00018 0.00037 -0.00033 23 3PY 0.00016 0.00022 0.00201 0.00058 -0.00043 24 3PZ -0.00043 -0.00128 -0.00396 0.00087 0.00097 25 4XX -0.00009 -0.00011 0.00002 0.00000 -0.00015 26 4YY -0.00007 -0.00013 0.00025 -0.00015 -0.00014 27 4ZZ -0.00012 -0.00011 0.00020 -0.00011 -0.00016 28 4XY 0.00004 -0.00003 0.00004 0.00006 -0.00003 29 4XZ 0.00006 0.00007 0.00000 0.00006 -0.00006 30 4YZ -0.00005 -0.00004 0.00001 0.00008 0.00006 31 3 C 1S -0.00001 0.00000 0.00000 0.00000 0.00001 32 2S -0.00007 0.00000 0.00000 0.00007 0.00000 33 2PX -0.00001 0.00000 0.00000 0.00009 -0.00003 34 2PY 0.00000 -0.00002 -0.00007 0.00000 0.00000 35 2PZ 0.00004 0.00000 0.00000 0.00004 -0.00011 36 3S 0.00025 0.00000 0.00000 -0.00014 0.00050 37 3PX 0.00007 0.00000 0.00000 -0.00014 0.00051 38 3PY 0.00000 0.00010 0.00034 -0.00001 0.00000 39 3PZ -0.00023 0.00000 -0.00001 -0.00047 0.00033 40 4XX -0.00001 0.00000 0.00000 0.00006 -0.00002 41 4YY 0.00000 0.00000 0.00000 0.00001 0.00007 42 4ZZ -0.00003 0.00000 0.00000 0.00005 -0.00002 43 4XY 0.00000 0.00002 -0.00001 0.00000 0.00000 44 4XZ -0.00001 0.00000 0.00000 0.00001 -0.00004 45 4YZ 0.00000 0.00000 -0.00001 0.00000 0.00000 46 4 O 1S -0.00003 0.00005 0.00011 0.00006 0.00004 47 2S -0.00013 0.00022 0.00055 0.00026 0.00025 48 2PX -0.00001 0.00001 0.00006 0.00002 -0.00003 49 2PY 0.00000 0.00000 0.00002 0.00002 0.00003 50 2PZ 0.00000 -0.00001 -0.00001 -0.00004 -0.00003 51 3S 0.00063 -0.00137 -0.00365 -0.00143 -0.00144 52 3PX 0.00021 -0.00035 -0.00149 -0.00045 -0.00017 53 3PY 0.00011 -0.00014 -0.00052 -0.00017 -0.00052 54 3PZ -0.00013 0.00028 0.00047 0.00031 0.00010 55 4XX -0.00005 0.00010 0.00011 0.00011 0.00010 56 4YY -0.00008 0.00015 0.00032 0.00013 0.00000 57 4ZZ -0.00007 0.00012 0.00035 0.00019 0.00014 58 4XY 0.00004 -0.00004 -0.00008 -0.00002 -0.00003 59 4XZ -0.00003 0.00003 0.00004 0.00002 0.00003 60 4YZ -0.00002 0.00003 0.00002 -0.00001 0.00000 61 5 H 1S -0.00006 0.00024 -0.00014 -0.00012 0.00007 62 2S -0.00057 0.00085 0.00058 -0.00023 0.00049 63 6 H 1S -0.00006 -0.00024 0.00014 -0.00013 0.00007 64 2S -0.00057 -0.00085 -0.00058 -0.00021 0.00049 65 7 H 1S -0.00003 0.00000 0.00000 -0.00006 0.00002 66 2S -0.00007 0.00000 0.00000 -0.00017 0.00030 67 8 O 1S -0.00003 -0.00005 -0.00011 0.00006 0.00004 68 2S -0.00013 -0.00022 -0.00055 0.00028 0.00025 69 2PX -0.00001 -0.00001 -0.00006 0.00002 -0.00003 70 2PY 0.00000 0.00000 0.00002 -0.00002 -0.00003 71 2PZ 0.00000 0.00001 0.00001 -0.00004 -0.00003 72 3S 0.00063 0.00137 0.00361 -0.00154 -0.00144 73 3PX 0.00021 0.00035 0.00148 -0.00049 -0.00017 74 3PY -0.00011 -0.00014 -0.00051 0.00019 0.00052 75 3PZ -0.00013 -0.00028 -0.00047 0.00033 0.00010 76 4XX -0.00005 -0.00010 -0.00011 0.00012 0.00009 77 4YY -0.00008 -0.00015 -0.00031 0.00014 0.00000 78 4ZZ -0.00007 -0.00012 -0.00034 0.00020 0.00014 79 4XY -0.00004 -0.00004 -0.00008 0.00002 0.00003 80 4XZ -0.00003 -0.00003 -0.00004 0.00003 0.00003 81 4YZ 0.00002 0.00003 0.00002 0.00001 0.00000 82 9 H 1S 0.00001 0.00000 0.00000 0.00004 -0.00008 83 2S 0.00010 0.00000 0.00000 0.00027 -0.00018 84 10 C 1S 0.00171 0.00236 -0.01277 0.01358 0.70199 85 2S -0.00016 -0.00012 -0.00038 0.00034 0.03491 86 2PX -0.00008 -0.00004 0.00011 -0.00008 -0.00014 87 2PY 0.00005 -0.00007 0.00012 -0.00009 0.00011 88 2PZ 0.00013 0.00012 0.00003 0.00014 -0.00024 89 3S 0.00108 0.00156 -0.00933 0.00323 -0.00783 90 3PX 0.00017 0.00023 -0.00200 0.00045 0.00012 91 3PY 0.00018 0.00036 0.00026 0.00049 -0.00068 92 3PZ -0.00065 -0.00122 0.00504 -0.00146 0.00108 93 4XX -0.00012 -0.00009 0.00014 -0.00021 -0.00670 94 4YY -0.00005 -0.00011 0.00024 -0.00020 -0.00675 95 4ZZ -0.00008 -0.00007 0.00018 -0.00024 -0.00659 96 4XY -0.00003 -0.00006 0.00004 -0.00002 -0.00002 97 4XZ -0.00004 -0.00002 -0.00002 0.00003 -0.00010 98 4YZ -0.00004 0.00001 -0.00010 0.00016 0.00001 99 11 C 1S 0.10561 0.13907 -0.67792 0.70429 -0.01372 100 2S 0.00515 0.00700 -0.03538 0.03534 -0.00088 101 2PX -0.00010 0.00002 0.00015 -0.00004 -0.00002 102 2PY 0.00007 -0.00006 0.00052 -0.00014 0.00007 103 2PZ 0.00007 -0.00009 0.00021 -0.00011 -0.00022 104 3S 0.00062 0.00022 0.02272 -0.01320 0.00248 105 3PX 0.00119 0.00127 0.00034 -0.00004 -0.00029 106 3PY -0.00040 -0.00038 -0.00685 0.00129 -0.00054 107 3PZ -0.00131 -0.00139 0.00023 0.00031 0.00130 108 4XX -0.00118 -0.00141 0.00579 -0.00646 0.00008 109 4YY -0.00100 -0.00131 0.00562 -0.00622 0.00013 110 4ZZ -0.00114 -0.00134 0.00569 -0.00626 -0.00004 111 4XY 0.00003 0.00001 0.00003 -0.00003 0.00000 112 4XZ 0.00006 0.00009 0.00000 -0.00013 0.00003 113 4YZ -0.00007 -0.00007 0.00001 -0.00008 0.00003 114 12 C 1S 0.69410 0.68840 0.13774 -0.10785 0.00025 115 2S 0.03481 0.03520 0.00763 -0.00565 -0.00017 116 2PX -0.00009 -0.00014 0.00013 0.00006 -0.00002 117 2PY 0.00002 -0.00006 0.00008 -0.00001 0.00004 118 2PZ 0.00002 0.00002 -0.00003 -0.00008 -0.00010 119 3S -0.00980 -0.01799 -0.01283 0.00478 0.00051 120 3PX 0.00048 0.00111 0.00251 -0.00111 -0.00003 121 3PY -0.00104 0.00254 0.00159 0.00055 0.00004 122 3PZ -0.00032 -0.00046 -0.00311 0.00104 0.00041 123 4XX -0.00631 -0.00598 -0.00111 0.00083 -0.00004 124 4YY -0.00661 -0.00590 -0.00102 0.00088 -0.00005 125 4ZZ -0.00631 -0.00600 -0.00102 0.00077 -0.00004 126 4XY 0.00006 -0.00001 -0.00014 0.00013 -0.00001 127 4XZ 0.00008 0.00010 -0.00004 0.00007 -0.00006 128 4YZ -0.00004 0.00000 0.00013 -0.00011 0.00001 129 13 C 1S 0.69407 -0.68839 -0.14098 -0.10377 0.00025 130 2S 0.03480 -0.03519 -0.00780 -0.00542 -0.00017 131 2PX -0.00009 0.00014 -0.00013 0.00006 -0.00002 132 2PY -0.00002 -0.00006 0.00008 0.00001 -0.00004 133 2PZ 0.00002 -0.00002 0.00002 -0.00008 -0.00010 134 3S -0.00980 0.01799 0.01297 0.00439 0.00051 135 3PX 0.00048 -0.00111 -0.00254 -0.00103 -0.00003 136 3PY 0.00104 0.00254 0.00157 -0.00060 -0.00004 137 3PZ -0.00032 0.00046 0.00314 0.00095 0.00041 138 4XX -0.00631 0.00598 0.00113 0.00079 -0.00004 139 4YY -0.00661 0.00590 0.00105 0.00085 -0.00005 140 4ZZ -0.00631 0.00600 0.00105 0.00074 -0.00004 141 4XY -0.00006 -0.00001 -0.00015 -0.00012 0.00001 142 4XZ 0.00008 -0.00010 0.00004 0.00007 -0.00006 143 4YZ 0.00004 0.00000 0.00014 0.00011 -0.00001 144 14 C 1S 0.10567 -0.13918 0.69875 0.68360 -0.01371 145 2S 0.00515 -0.00701 0.03643 0.03426 -0.00088 146 2PX -0.00010 -0.00002 -0.00015 -0.00004 -0.00002 147 2PY -0.00007 -0.00006 0.00052 0.00012 -0.00007 148 2PZ 0.00007 0.00009 -0.00021 -0.00010 -0.00022 149 3S 0.00061 -0.00022 -0.02311 -0.01252 0.00248 150 3PX 0.00119 -0.00127 -0.00034 -0.00003 -0.00029 151 3PY 0.00040 -0.00038 -0.00689 -0.00108 0.00054 152 3PZ -0.00131 0.00139 -0.00022 0.00032 0.00130 153 4XX -0.00118 0.00141 -0.00598 -0.00629 0.00008 154 4YY -0.00100 0.00131 -0.00581 -0.00605 0.00013 155 4ZZ -0.00114 0.00134 -0.00588 -0.00608 -0.00004 156 4XY -0.00003 0.00001 0.00004 0.00003 0.00000 157 4XZ 0.00006 -0.00009 -0.00001 -0.00013 0.00003 158 4YZ 0.00007 -0.00007 0.00002 0.00008 -0.00003 159 15 C 1S 0.00171 -0.00236 0.01317 0.01319 0.70159 160 2S -0.00016 0.00012 0.00039 0.00033 0.03489 161 2PX -0.00008 0.00004 -0.00011 -0.00008 -0.00014 162 2PY -0.00005 -0.00007 0.00012 0.00009 -0.00011 163 2PZ 0.00013 -0.00012 -0.00003 0.00014 -0.00024 164 3S 0.00108 -0.00156 0.00942 0.00295 -0.00782 165 3PX 0.00017 -0.00023 0.00201 0.00039 0.00012 166 3PY -0.00018 0.00036 0.00025 -0.00049 0.00068 167 3PZ -0.00065 0.00122 -0.00509 -0.00131 0.00108 168 4XX -0.00012 0.00009 -0.00014 -0.00020 -0.00670 169 4YY -0.00005 0.00011 -0.00025 -0.00019 -0.00675 170 4ZZ -0.00008 0.00007 -0.00019 -0.00023 -0.00658 171 4XY 0.00003 -0.00006 0.00004 0.00002 0.00002 172 4XZ -0.00004 0.00002 0.00002 0.00003 -0.00010 173 4YZ 0.00004 0.00001 -0.00010 -0.00016 -0.00001 174 16 H 1S -0.00001 -0.00001 -0.00006 -0.00008 -0.00030 175 2S 0.00027 0.00028 -0.00097 0.00025 0.00137 176 17 H 1S -0.00011 -0.00008 0.00017 -0.00010 -0.00003 177 2S 0.00042 0.00025 -0.00024 0.00166 0.00004 178 18 H 1S -0.00009 0.00026 0.00025 -0.00007 0.00001 179 2S 0.00193 0.00210 0.00016 -0.00031 0.00023 180 19 H 1S -0.00009 -0.00026 -0.00025 -0.00006 0.00001 181 2S 0.00193 -0.00210 -0.00017 -0.00031 0.00023 182 20 H 1S -0.00011 0.00008 -0.00017 -0.00009 -0.00003 183 2S 0.00042 -0.00025 0.00029 0.00165 0.00004 184 21 H 1S -0.00001 0.00001 0.00006 -0.00008 -0.00030 185 2S 0.00027 -0.00029 0.00097 0.00022 0.00137 186 22 H 1S -0.00012 0.00015 0.00041 -0.00011 -0.00005 187 2S 0.00181 0.00185 0.00030 -0.00017 -0.00015 188 23 H 1S -0.00012 -0.00015 -0.00041 -0.00010 -0.00005 189 2S 0.00181 -0.00185 -0.00030 -0.00016 -0.00015 11 12 13 14 15 O O O O O Eigenvalues -- -10.16869 -1.10211 -1.00640 -0.83058 -0.76110 1 1 C 1S -0.00004 -0.05690 -0.04430 -0.02681 -0.12476 2 2S -0.00045 0.10584 0.08759 0.05410 0.25047 3 2PX -0.00004 -0.06058 -0.06093 0.01602 -0.01406 4 2PY 0.00002 0.00989 -0.04421 0.01434 0.07148 5 2PZ -0.00021 0.04381 0.04509 0.00181 -0.00957 6 3S 0.00396 0.03633 -0.01198 0.03269 0.17748 7 3PX -0.00118 0.00348 0.02172 0.00391 0.00558 8 3PY 0.00190 -0.00075 -0.01849 0.00248 0.00958 9 3PZ 0.00246 -0.00644 -0.03019 -0.00113 -0.00913 10 4XX -0.00010 0.00423 0.00654 -0.00158 -0.01042 11 4YY -0.00008 -0.00144 -0.00863 0.00141 0.00622 12 4ZZ -0.00014 -0.00125 0.00163 -0.00085 -0.00708 13 4XY 0.00005 0.00187 0.00594 -0.00004 -0.00010 14 4XZ -0.00010 -0.01133 -0.01154 0.00049 -0.00503 15 4YZ 0.00003 -0.00107 -0.00373 0.00095 0.00227 16 2 C 1S 0.00004 -0.05690 0.04430 -0.02681 -0.12477 17 2S 0.00045 0.10584 -0.08759 0.05410 0.25048 18 2PX 0.00004 -0.06058 0.06092 0.01601 -0.01406 19 2PY 0.00002 -0.00989 -0.04420 -0.01434 -0.07148 20 2PZ 0.00021 0.04381 -0.04509 0.00181 -0.00957 21 3S -0.00396 0.03633 0.01199 0.03269 0.17748 22 3PX 0.00118 0.00348 -0.02172 0.00392 0.00558 23 3PY 0.00190 0.00076 -0.01849 -0.00248 -0.00957 24 3PZ -0.00246 -0.00645 0.03019 -0.00113 -0.00914 25 4XX 0.00010 0.00423 -0.00654 -0.00158 -0.01042 26 4YY 0.00008 -0.00144 0.00863 0.00141 0.00622 27 4ZZ 0.00014 -0.00125 -0.00163 -0.00085 -0.00708 28 4XY 0.00005 -0.00187 0.00593 0.00004 0.00010 29 4XZ 0.00010 -0.01133 0.01154 0.00049 -0.00503 30 4YZ 0.00003 0.00107 -0.00372 -0.00095 -0.00227 31 3 C 1S 0.00000 -0.08378 0.00000 0.01970 0.11339 32 2S 0.00000 0.16131 0.00000 -0.04075 -0.23762 33 2PX 0.00000 0.07989 0.00000 -0.00552 0.00194 34 2PY -0.00001 0.00001 -0.12924 0.00000 0.00000 35 2PZ 0.00000 -0.03331 -0.00001 0.00181 -0.01808 36 3S 0.00000 0.02817 0.00000 -0.02453 -0.16899 37 3PX 0.00000 -0.01394 0.00000 0.00165 0.01305 38 3PY 0.00014 0.00000 -0.00704 0.00000 0.00000 39 3PZ 0.00000 0.00248 0.00000 0.00090 -0.00530 40 4XX 0.00000 0.00385 0.00000 0.00089 0.00638 41 4YY 0.00000 0.00729 0.00000 -0.00134 -0.00340 42 4ZZ 0.00000 -0.00722 0.00000 0.00095 0.00332 43 4XY 0.00001 0.00000 -0.02357 0.00000 0.00000 44 4XZ 0.00000 -0.00742 0.00000 0.00020 -0.00307 45 4YZ 0.00003 0.00000 0.00928 0.00000 0.00000 46 4 O 1S 0.00001 -0.13070 -0.15225 0.00875 0.01667 47 2S 0.00011 0.28292 0.33390 -0.02046 -0.03953 48 2PX -0.00005 0.01174 0.01916 0.02294 0.13340 49 2PY -0.00003 0.08698 0.06064 -0.00894 -0.03454 50 2PZ -0.00005 -0.02446 -0.03106 -0.00870 -0.08495 51 3S -0.00135 0.28635 0.35992 -0.02062 -0.04326 52 3PX -0.00044 0.00341 0.01863 0.01058 0.06054 53 3PY -0.00022 0.05251 0.03654 -0.00389 -0.01469 54 3PZ 0.00039 -0.01120 -0.02087 -0.00436 -0.03986 55 4XX -0.00007 -0.00064 0.00054 0.00086 0.00156 56 4YY -0.00001 0.00724 -0.00070 -0.00121 -0.00572 57 4ZZ -0.00001 -0.00547 -0.00450 0.00058 0.00332 58 4XY -0.00003 -0.00207 0.00030 0.00232 0.01288 59 4XZ 0.00001 -0.00670 -0.00750 -0.00055 -0.00489 60 4YZ 0.00004 -0.00203 -0.00255 -0.00086 -0.00752 61 5 H 1S 0.00014 0.01240 0.01389 0.01617 0.06953 62 2S 0.00108 -0.00543 -0.01045 0.00405 0.01114 63 6 H 1S -0.00014 0.01240 -0.01389 0.01617 0.06953 64 2S -0.00108 -0.00543 0.01045 0.00405 0.01114 65 7 H 1S 0.00000 0.02520 0.00000 -0.00996 -0.06750 66 2S 0.00000 -0.00134 0.00000 -0.00091 -0.01200 67 8 O 1S -0.00001 -0.13070 0.15224 0.00875 0.01667 68 2S -0.00011 0.28293 -0.33389 -0.02046 -0.03953 69 2PX 0.00005 0.01174 -0.01916 0.02293 0.13341 70 2PY -0.00003 -0.08698 0.06064 0.00894 0.03455 71 2PZ 0.00005 -0.02447 0.03106 -0.00870 -0.08495 72 3S 0.00135 0.28637 -0.35991 -0.02062 -0.04326 73 3PX 0.00044 0.00341 -0.01863 0.01058 0.06054 74 3PY -0.00022 -0.05251 0.03653 0.00389 0.01469 75 3PZ -0.00039 -0.01121 0.02088 -0.00436 -0.03986 76 4XX 0.00007 -0.00064 -0.00054 0.00086 0.00156 77 4YY 0.00001 0.00724 0.00070 -0.00121 -0.00572 78 4ZZ 0.00001 -0.00547 0.00450 0.00058 0.00332 79 4XY -0.00003 0.00207 0.00029 -0.00232 -0.01288 80 4XZ -0.00001 -0.00670 0.00750 -0.00055 -0.00490 81 4YZ 0.00004 0.00203 -0.00255 0.00086 0.00752 82 9 H 1S 0.00000 0.02480 0.00000 -0.01054 -0.07837 83 2S 0.00000 0.00199 0.00000 -0.00171 -0.01785 84 10 C 1S -0.70189 -0.00162 0.00106 -0.09183 0.02765 85 2S -0.03562 0.00206 -0.00129 0.17564 -0.05300 86 2PX 0.00008 -0.00094 0.00080 0.01146 -0.00581 87 2PY 0.00029 -0.00019 -0.00087 -0.02827 0.01095 88 2PZ 0.00030 -0.00123 0.00064 -0.05056 0.00537 89 3S 0.01693 0.00147 0.00885 0.10903 -0.03559 90 3PX 0.00026 -0.00115 0.00281 -0.00083 -0.00033 91 3PY -0.00339 -0.00004 0.00000 -0.00133 0.00319 92 3PZ -0.00281 0.00032 -0.00616 -0.00076 0.00016 93 4XX 0.00645 0.00009 -0.00023 -0.00844 0.00268 94 4YY 0.00607 -0.00009 0.00037 0.00290 -0.00093 95 4ZZ 0.00631 -0.00015 0.00023 0.00103 0.00080 96 4XY 0.00004 0.00003 -0.00002 -0.00046 0.00030 97 4XZ 0.00013 0.00023 -0.00022 -0.00449 0.00189 98 4YZ 0.00013 -0.00005 0.00009 -0.00012 -0.00017 99 11 C 1S 0.01338 -0.00220 0.00284 -0.09083 0.01507 100 2S 0.00064 0.00217 -0.00019 0.16945 -0.02978 101 2PX 0.00005 -0.00174 0.00174 0.01464 -0.01409 102 2PY -0.00005 -0.00066 -0.00046 -0.04658 0.00964 103 2PZ 0.00010 -0.00015 0.00041 0.01667 -0.01498 104 3S -0.00373 0.00810 -0.02416 0.13002 -0.01716 105 3PX 0.00002 -0.00079 0.00466 0.00259 -0.00143 106 3PY 0.00115 -0.00311 0.01141 -0.01294 -0.00027 107 3PZ -0.00113 -0.00202 -0.00117 -0.00368 -0.00733 108 4XX -0.00013 0.00013 0.00000 -0.00594 0.00188 109 4YY -0.00002 -0.00037 0.00083 0.00085 -0.00037 110 4ZZ 0.00013 -0.00034 0.00064 -0.00009 -0.00054 111 4XY 0.00005 0.00009 -0.00020 -0.00234 0.00106 112 4XZ -0.00006 -0.00003 0.00010 -0.00570 0.00205 113 4YZ -0.00007 0.00001 0.00014 -0.00227 0.00148 114 12 C 1S -0.00018 -0.00040 0.00005 -0.08489 0.01846 115 2S 0.00018 0.00221 -0.00292 0.15996 -0.03376 116 2PX -0.00002 -0.00109 0.00093 -0.02348 -0.00351 117 2PY 0.00003 -0.00046 -0.00039 -0.01948 0.00479 118 2PZ 0.00008 0.00003 0.00028 0.02743 -0.00888 119 3S -0.00038 -0.00405 0.01573 0.11480 -0.03570 120 3PX -0.00003 0.00390 -0.00929 -0.00065 0.00035 121 3PY 0.00019 0.00020 -0.00659 -0.00433 -0.00036 122 3PZ -0.00036 -0.00046 0.00061 0.00302 -0.00252 123 4XX 0.00003 0.00020 -0.00022 -0.00109 0.00101 124 4YY 0.00004 0.00035 -0.00009 0.00166 -0.00025 125 4ZZ 0.00003 0.00026 -0.00026 -0.00009 0.00003 126 4XY 0.00000 0.00015 0.00021 -0.00007 0.00015 127 4XZ 0.00004 0.00011 -0.00020 -0.00254 0.00072 128 4YZ 0.00005 0.00007 -0.00013 0.00008 0.00002 129 13 C 1S 0.00018 -0.00040 -0.00005 -0.08489 0.01846 130 2S -0.00018 0.00221 0.00292 0.15996 -0.03377 131 2PX 0.00002 -0.00109 -0.00093 -0.02348 -0.00350 132 2PY 0.00003 0.00046 -0.00039 0.01948 -0.00479 133 2PZ -0.00008 0.00003 -0.00028 0.02743 -0.00888 134 3S 0.00038 -0.00405 -0.01573 0.11480 -0.03571 135 3PX 0.00003 0.00390 0.00929 -0.00065 0.00035 136 3PY 0.00019 -0.00020 -0.00659 0.00433 0.00036 137 3PZ 0.00036 -0.00046 -0.00061 0.00303 -0.00252 138 4XX -0.00003 0.00020 0.00022 -0.00109 0.00101 139 4YY -0.00004 0.00035 0.00009 0.00166 -0.00025 140 4ZZ -0.00003 0.00026 0.00026 -0.00009 0.00003 141 4XY 0.00000 -0.00015 0.00021 0.00007 -0.00015 142 4XZ -0.00004 0.00011 0.00020 -0.00254 0.00072 143 4YZ 0.00005 -0.00007 -0.00013 -0.00008 -0.00002 144 14 C 1S -0.01338 -0.00220 -0.00284 -0.09083 0.01507 145 2S -0.00064 0.00217 0.00019 0.16945 -0.02978 146 2PX -0.00005 -0.00174 -0.00174 0.01464 -0.01409 147 2PY -0.00005 0.00066 -0.00046 0.04658 -0.00964 148 2PZ -0.00010 -0.00015 -0.00041 0.01669 -0.01499 149 3S 0.00373 0.00810 0.02416 0.13003 -0.01716 150 3PX -0.00002 -0.00079 -0.00466 0.00259 -0.00143 151 3PY 0.00115 0.00311 0.01141 0.01294 0.00027 152 3PZ 0.00113 -0.00202 0.00117 -0.00367 -0.00733 153 4XX 0.00013 0.00013 0.00000 -0.00594 0.00188 154 4YY 0.00002 -0.00037 -0.00083 0.00085 -0.00037 155 4ZZ -0.00013 -0.00034 -0.00064 -0.00009 -0.00054 156 4XY 0.00005 -0.00009 -0.00020 0.00234 -0.00106 157 4XZ 0.00006 -0.00003 -0.00010 -0.00570 0.00205 158 4YZ -0.00007 -0.00001 0.00014 0.00227 -0.00148 159 15 C 1S 0.70228 -0.00162 -0.00106 -0.09184 0.02765 160 2S 0.03564 0.00206 0.00129 0.17564 -0.05300 161 2PX -0.00008 -0.00094 -0.00080 0.01145 -0.00581 162 2PY 0.00029 0.00019 -0.00087 0.02828 -0.01095 163 2PZ -0.00030 -0.00123 -0.00064 -0.05056 0.00537 164 3S -0.01694 0.00147 -0.00885 0.10903 -0.03559 165 3PX -0.00026 -0.00114 -0.00281 -0.00083 -0.00033 166 3PY -0.00339 0.00004 0.00000 0.00133 -0.00319 167 3PZ 0.00281 0.00032 0.00615 -0.00076 0.00016 168 4XX -0.00646 0.00009 0.00023 -0.00844 0.00268 169 4YY -0.00607 -0.00009 -0.00037 0.00290 -0.00093 170 4ZZ -0.00631 -0.00015 -0.00023 0.00103 0.00080 171 4XY 0.00004 -0.00003 -0.00002 0.00046 -0.00030 172 4XZ -0.00013 0.00023 0.00022 -0.00449 0.00189 173 4YZ 0.00013 0.00005 0.00009 0.00012 0.00017 174 16 H 1S 0.00023 0.00030 -0.00023 0.03509 -0.01342 175 2S -0.00081 0.00016 0.00072 0.00135 -0.00330 176 17 H 1S 0.00000 0.00048 -0.00093 0.03694 -0.00501 177 2S -0.00002 0.00152 -0.00347 0.00571 -0.00021 178 18 H 1S 0.00000 0.00076 -0.00135 0.03970 -0.00617 179 2S -0.00023 0.00037 -0.00023 0.00578 0.00201 180 19 H 1S 0.00000 0.00076 0.00135 0.03970 -0.00617 181 2S 0.00024 0.00037 0.00023 0.00578 0.00201 182 20 H 1S 0.00000 0.00048 0.00093 0.03694 -0.00501 183 2S 0.00002 0.00152 0.00347 0.00571 -0.00021 184 21 H 1S -0.00023 0.00030 0.00023 0.03509 -0.01342 185 2S 0.00081 0.00016 -0.00072 0.00135 -0.00330 186 22 H 1S 0.00006 0.00003 0.00006 0.04104 -0.01213 187 2S 0.00009 -0.00141 0.00301 0.00393 -0.00229 188 23 H 1S -0.00006 0.00003 -0.00006 0.04104 -0.01213 189 2S -0.00009 -0.00141 -0.00301 0.00393 -0.00229 16 17 18 19 20 O O O O O Eigenvalues -- -0.73599 -0.72996 -0.64146 -0.60785 -0.60674 1 1 C 1S 0.00173 0.01291 -0.06744 -0.08892 -0.04439 2 2S -0.00363 -0.02432 0.13626 0.18376 0.09004 3 2PX 0.00412 -0.01292 0.08224 -0.01907 -0.01220 4 2PY -0.00113 0.01632 0.14874 -0.12293 -0.06093 5 2PZ -0.00958 -0.00039 -0.09433 -0.01958 0.00108 6 3S -0.00389 -0.03256 0.12088 0.17258 0.10067 7 3PX 0.00272 -0.00415 0.02111 0.01073 -0.00593 8 3PY 0.00055 -0.00231 0.02743 -0.02810 -0.01112 9 3PZ -0.00227 -0.00542 -0.02662 -0.01790 0.00354 10 4XX 0.00085 0.00050 -0.01165 -0.00359 -0.00221 11 4YY -0.00005 0.00106 0.00676 -0.00673 -0.00335 12 4ZZ -0.00072 0.00001 -0.00618 0.00038 0.00093 13 4XY -0.00031 0.00114 -0.00834 0.00292 0.00201 14 4XZ -0.00024 -0.00031 0.00653 -0.00769 -0.00378 15 4YZ 0.00009 -0.00037 0.00738 0.00401 0.00077 16 2 C 1S 0.00173 -0.01291 -0.06744 0.08892 0.04439 17 2S -0.00363 0.02431 0.13625 -0.18376 -0.09004 18 2PX 0.00413 0.01292 0.08224 0.01907 0.01221 19 2PY 0.00113 0.01632 -0.14873 -0.12294 -0.06092 20 2PZ -0.00958 0.00039 -0.09435 0.01956 -0.00109 21 3S -0.00388 0.03256 0.12087 -0.17258 -0.10067 22 3PX 0.00273 0.00415 0.02112 -0.01073 0.00593 23 3PY -0.00055 -0.00231 -0.02742 -0.02810 -0.01112 24 3PZ -0.00227 0.00542 -0.02662 0.01790 -0.00354 25 4XX 0.00085 -0.00050 -0.01165 0.00359 0.00221 26 4YY -0.00005 -0.00106 0.00676 0.00673 0.00335 27 4ZZ -0.00072 -0.00001 -0.00618 -0.00038 -0.00093 28 4XY 0.00031 0.00114 0.00834 0.00292 0.00201 29 4XZ -0.00024 0.00031 0.00654 0.00769 0.00378 30 4YZ -0.00009 -0.00037 -0.00738 0.00401 0.00077 31 3 C 1S -0.00900 0.00000 -0.12549 0.00000 0.00000 32 2S 0.01867 0.00000 0.26473 0.00000 0.00000 33 2PX -0.00190 0.00000 -0.08971 0.00000 0.00000 34 2PY 0.00000 -0.02033 0.00000 0.19115 0.10769 35 2PZ -0.00114 0.00000 0.02933 0.00001 0.00001 36 3S 0.01546 0.00000 0.24902 0.00000 0.00000 37 3PX -0.00179 0.00000 -0.03687 0.00000 0.00000 38 3PY 0.00000 -0.00352 0.00000 0.05008 0.02913 39 3PZ -0.00125 0.00000 0.00546 0.00000 0.00000 40 4XX -0.00069 0.00000 -0.00319 0.00000 0.00000 41 4YY 0.00018 0.00000 -0.01318 0.00000 0.00000 42 4ZZ -0.00018 0.00000 0.00618 0.00000 0.00000 43 4XY 0.00000 -0.00231 0.00000 0.01685 0.00933 44 4XZ -0.00006 0.00000 0.00308 0.00000 0.00000 45 4YZ 0.00000 0.00097 0.00000 -0.00347 -0.00232 46 4 O 1S -0.00040 -0.00740 0.06977 0.02373 0.01373 47 2S 0.00086 0.01624 -0.16285 -0.05608 -0.03037 48 2PX -0.01219 -0.01777 -0.10119 0.18329 0.10604 49 2PY 0.00340 0.00707 0.08531 -0.05089 -0.02922 50 2PZ 0.00148 0.00514 0.04051 -0.12345 -0.06116 51 3S 0.00177 0.02376 -0.21439 -0.06887 -0.04980 52 3PX -0.00513 -0.00621 -0.04072 0.08583 0.04671 53 3PY 0.00171 0.00426 0.04646 -0.02031 -0.01398 54 3PZ -0.00045 0.00187 0.01497 -0.06023 -0.02594 55 4XX -0.00036 -0.00108 0.00066 0.00274 0.00226 56 4YY 0.00037 0.00002 0.00964 -0.00355 -0.00123 57 4ZZ -0.00016 -0.00088 -0.00013 0.00464 0.00290 58 4XY -0.00100 -0.00056 -0.00459 0.00760 0.00411 59 4XZ -0.00018 0.00028 -0.00005 -0.00575 -0.00240 60 4YZ 0.00006 0.00012 -0.00057 -0.00443 -0.00204 61 5 H 1S 0.00349 -0.01587 0.05608 0.11172 0.04886 62 2S 0.00438 -0.00904 0.01647 0.04741 0.01818 63 6 H 1S 0.00350 0.01587 0.05608 -0.11172 -0.04886 64 2S 0.00438 0.00904 0.01647 -0.04741 -0.01818 65 7 H 1S 0.00636 0.00000 0.11736 0.00000 0.00000 66 2S 0.00074 0.00000 0.03372 0.00000 0.00000 67 8 O 1S -0.00040 0.00740 0.06976 -0.02373 -0.01373 68 2S 0.00086 -0.01624 -0.16285 0.05607 0.03038 69 2PX -0.01218 0.01777 -0.10120 -0.18329 -0.10604 70 2PY -0.00340 0.00707 -0.08532 -0.05091 -0.02922 71 2PZ 0.00148 -0.00514 0.04050 0.12345 0.06116 72 3S 0.00176 -0.02376 -0.21439 0.06887 0.04981 73 3PX -0.00513 0.00621 -0.04072 -0.08583 -0.04671 74 3PY -0.00170 0.00426 -0.04646 -0.02032 -0.01398 75 3PZ -0.00045 -0.00186 0.01497 0.06023 0.02594 76 4XX -0.00036 0.00108 0.00066 -0.00274 -0.00226 77 4YY 0.00037 -0.00002 0.00964 0.00355 0.00123 78 4ZZ -0.00016 0.00088 -0.00013 -0.00464 -0.00290 79 4XY 0.00100 -0.00056 0.00459 0.00760 0.00411 80 4XZ -0.00018 -0.00028 -0.00005 0.00575 0.00240 81 4YZ -0.00006 0.00012 0.00057 -0.00443 -0.00204 82 9 H 1S 0.00562 0.00000 0.11789 0.00000 0.00000 83 2S 0.00069 0.00000 0.03918 0.00000 0.00000 84 10 C 1S 0.10623 -0.06311 0.00400 -0.04841 0.06558 85 2S -0.20694 0.12604 -0.00653 0.09837 -0.13426 86 2PX 0.01158 0.01280 -0.00191 0.00082 0.01189 87 2PY 0.05074 0.07623 0.00059 0.06207 -0.08472 88 2PZ 0.00457 -0.05687 -0.00505 -0.01323 0.01741 89 3S -0.14961 0.07286 -0.00993 0.07470 -0.09833 90 3PX 0.00587 -0.00393 -0.00029 -0.00550 0.00891 91 3PY 0.00539 0.02419 0.00029 0.01616 -0.03215 92 3PZ -0.00675 0.00813 0.00103 0.01108 -0.01448 93 4XX 0.00960 -0.00422 0.00026 -0.00310 0.00408 94 4YY -0.00497 -0.00622 0.00001 -0.00452 0.00599 95 4ZZ 0.00307 0.00539 0.00065 0.00166 -0.00266 96 4XY 0.00112 0.00055 0.00029 -0.00066 0.00208 97 4XZ 0.00307 -0.00449 0.00056 -0.00306 0.00270 98 4YZ -0.00148 -0.00491 0.00012 -0.00014 0.00035 99 11 C 1S 0.01110 -0.12384 -0.00143 -0.02139 0.01666 100 2S -0.02086 0.24001 0.00195 0.04442 -0.03370 101 2PX 0.05209 0.01855 -0.00996 -0.01750 0.08370 102 2PY 0.01251 -0.00644 -0.00241 -0.00630 0.00170 103 2PZ -0.09373 0.01782 -0.00586 0.08382 -0.12415 104 3S -0.02237 0.20502 0.00934 0.04140 -0.03931 105 3PX 0.00829 0.00453 -0.00047 -0.00301 0.02182 106 3PY 0.00893 -0.00114 -0.00471 0.00029 0.00144 107 3PZ -0.01618 -0.00331 -0.00342 0.02818 -0.02690 108 4XX 0.00488 -0.00730 -0.00114 -0.00468 0.00497 109 4YY -0.00068 -0.00066 0.00007 0.00062 -0.00077 110 4ZZ -0.00140 -0.00084 -0.00008 0.00135 -0.00140 111 4XY -0.00412 -0.00285 0.00111 0.00090 -0.00273 112 4XZ -0.00257 -0.00642 0.00095 -0.00056 -0.00399 113 4YZ 0.00795 -0.00210 0.00051 -0.00334 0.00518 114 12 C 1S -0.11055 -0.06888 0.01225 0.03316 -0.09310 115 2S 0.21313 0.13377 -0.02382 -0.06844 0.18826 116 2PX 0.01340 -0.02895 -0.01597 -0.00113 0.01618 117 2PY -0.03717 0.06702 0.00486 -0.03389 0.09446 118 2PZ -0.01862 0.03268 -0.00232 0.01849 -0.01666 119 3S 0.18639 0.10957 -0.02840 -0.05839 0.18514 120 3PX 0.00303 -0.00106 -0.00733 -0.00234 0.00800 121 3PY -0.00609 0.01619 -0.00043 -0.01286 0.03923 122 3PZ -0.00680 0.00447 -0.00204 0.00839 -0.01286 123 4XX -0.00239 0.00240 0.00072 -0.00102 0.00229 124 4YY 0.00371 -0.00769 -0.00059 0.00373 -0.01033 125 4ZZ -0.00301 0.00347 0.00014 -0.00022 0.00214 126 4XY 0.00093 -0.00241 -0.00011 -0.00031 0.00186 127 4XZ 0.00305 -0.00336 -0.00019 -0.00215 0.00334 128 4YZ -0.00125 0.00256 0.00009 0.00180 -0.00215 129 13 C 1S -0.11054 0.06890 0.01226 -0.03316 0.09310 130 2S 0.21311 -0.13380 -0.02383 0.06844 -0.18826 131 2PX 0.01341 0.02894 -0.01597 0.00113 -0.01620 132 2PY 0.03718 0.06702 -0.00485 -0.03389 0.09445 133 2PZ -0.01862 -0.03267 -0.00232 -0.01849 0.01667 134 3S 0.18637 -0.10959 -0.02841 0.05838 -0.18514 135 3PX 0.00303 0.00106 -0.00732 0.00235 -0.00800 136 3PY 0.00610 0.01619 0.00043 -0.01286 0.03923 137 3PZ -0.00681 -0.00447 -0.00204 -0.00838 0.01286 138 4XX -0.00239 -0.00240 0.00072 0.00102 -0.00229 139 4YY 0.00372 0.00769 -0.00059 -0.00373 0.01033 140 4ZZ -0.00301 -0.00347 0.00014 0.00022 -0.00214 141 4XY -0.00093 -0.00242 0.00011 -0.00031 0.00186 142 4XZ 0.00305 0.00336 -0.00019 0.00215 -0.00334 143 4YZ 0.00125 0.00256 -0.00009 0.00180 -0.00215 144 14 C 1S 0.01112 0.12383 -0.00143 0.02139 -0.01666 145 2S -0.02090 -0.24000 0.00195 -0.04441 0.03370 146 2PX 0.05209 -0.01856 -0.00996 0.01750 -0.08371 147 2PY -0.01249 -0.00644 0.00241 -0.00629 0.00168 148 2PZ -0.09373 -0.01781 -0.00586 -0.08382 0.12414 149 3S -0.02240 -0.20502 0.00935 -0.04139 0.03931 150 3PX 0.00829 -0.00453 -0.00047 0.00301 -0.02182 151 3PY -0.00893 -0.00113 0.00471 0.00029 0.00144 152 3PZ -0.01618 0.00331 -0.00342 -0.02818 0.02690 153 4XX 0.00488 0.00729 -0.00114 0.00468 -0.00497 154 4YY -0.00068 0.00066 0.00007 -0.00062 0.00076 155 4ZZ -0.00140 0.00084 -0.00008 -0.00135 0.00141 156 4XY 0.00412 -0.00285 -0.00111 0.00090 -0.00273 157 4XZ -0.00257 0.00642 0.00095 0.00056 0.00398 158 4YZ -0.00795 -0.00210 -0.00051 -0.00334 0.00518 159 15 C 1S 0.10624 0.06309 0.00400 0.04841 -0.06558 160 2S -0.20696 -0.12601 -0.00652 -0.09838 0.13426 161 2PX 0.01158 -0.01281 -0.00191 -0.00082 -0.01189 162 2PY -0.05073 0.07623 -0.00059 0.06206 -0.08471 163 2PZ 0.00457 0.05688 -0.00505 0.01324 -0.01743 164 3S -0.14963 -0.07283 -0.00993 -0.07471 0.09833 165 3PX 0.00587 0.00393 -0.00029 0.00550 -0.00891 166 3PY -0.00539 0.02419 -0.00029 0.01616 -0.03215 167 3PZ -0.00675 -0.00813 0.00103 -0.01108 0.01448 168 4XX 0.00960 0.00421 0.00026 0.00310 -0.00408 169 4YY -0.00497 0.00622 0.00001 0.00452 -0.00599 170 4ZZ 0.00307 -0.00540 0.00065 -0.00166 0.00266 171 4XY -0.00112 0.00055 -0.00029 -0.00066 0.00208 172 4XZ 0.00307 0.00449 0.00056 0.00306 -0.00270 173 4YZ 0.00148 -0.00491 -0.00012 -0.00013 0.00035 174 16 H 1S -0.06029 0.03699 -0.00391 0.04623 -0.06527 175 2S -0.01165 0.00209 -0.00250 0.01542 -0.02001 176 17 H 1S -0.00367 0.07762 0.00070 0.01218 -0.01481 177 2S -0.00327 0.01834 -0.00130 0.00153 -0.00673 178 18 H 1S 0.07128 0.04459 -0.00441 -0.04044 0.09038 179 2S 0.01671 0.01068 0.00244 -0.01908 0.03188 180 19 H 1S 0.07127 -0.04460 -0.00442 0.04043 -0.09038 181 2S 0.01671 -0.01068 0.00244 0.01908 -0.03188 182 20 H 1S -0.00369 -0.07761 0.00070 -0.01218 0.01481 183 2S -0.00328 -0.01834 -0.00130 -0.00153 0.00673 184 21 H 1S -0.06029 -0.03698 -0.00390 -0.04624 0.06527 185 2S -0.01165 -0.00208 -0.00250 -0.01542 0.02001 186 22 H 1S 0.06862 0.04510 -0.01416 -0.02871 0.08876 187 2S 0.01635 0.00859 -0.00340 -0.01102 0.03294 188 23 H 1S 0.06861 -0.04511 -0.01416 0.02871 -0.08876 189 2S 0.01635 -0.00859 -0.00340 0.01101 -0.03294 21 22 23 24 25 O O O O O Eigenvalues -- -0.58530 -0.52881 -0.50067 -0.49469 -0.47084 1 1 C 1S 0.00881 -0.00678 -0.00868 -0.00119 -0.00727 2 2S -0.01986 0.01227 0.01790 0.00210 0.01256 3 2PX 0.02565 0.05775 0.10460 0.03585 0.06159 4 2PY -0.04658 -0.21741 0.01418 -0.03979 -0.01432 5 2PZ 0.00648 -0.13485 0.04026 -0.00950 -0.05797 6 3S -0.00693 0.03720 0.02141 0.00965 0.02717 7 3PX 0.00770 0.01421 0.04870 0.01172 0.01897 8 3PY -0.01443 -0.06584 0.00111 -0.01151 -0.00622 9 3PZ 0.00647 -0.04206 0.02315 -0.00169 -0.00902 10 4XX 0.00114 -0.00186 -0.01051 -0.00124 -0.00206 11 4YY -0.00083 0.00059 0.00177 -0.00001 0.00143 12 4ZZ 0.00139 0.00465 0.00661 0.00176 0.00026 13 4XY 0.00099 0.00713 0.00139 0.00409 -0.00666 14 4XZ 0.00105 0.00106 -0.00002 0.00121 0.00358 15 4YZ -0.00077 -0.00165 0.00161 0.00003 0.00633 16 2 C 1S 0.00881 -0.00678 -0.00868 -0.00119 0.00727 17 2S -0.01985 0.01227 0.01790 0.00210 -0.01257 18 2PX 0.02565 0.05774 0.10460 0.03585 -0.06159 19 2PY 0.04658 0.21742 -0.01418 0.03979 -0.01433 20 2PZ 0.00648 -0.13483 0.04026 -0.00950 0.05797 21 3S -0.00692 0.03720 0.02141 0.00965 -0.02719 22 3PX 0.00770 0.01421 0.04870 0.01172 -0.01897 23 3PY 0.01443 0.06585 -0.00111 0.01151 -0.00623 24 3PZ 0.00647 -0.04205 0.02315 -0.00170 0.00902 25 4XX 0.00114 -0.00186 -0.01051 -0.00124 0.00206 26 4YY -0.00083 0.00059 0.00177 -0.00001 -0.00143 27 4ZZ 0.00139 0.00465 0.00661 0.00176 -0.00026 28 4XY -0.00099 -0.00713 -0.00139 -0.00409 -0.00666 29 4XZ 0.00105 0.00106 -0.00002 0.00121 -0.00358 30 4YZ 0.00077 0.00165 -0.00161 -0.00003 0.00633 31 3 C 1S -0.00169 -0.00800 0.00615 0.00293 0.00000 32 2S 0.00472 0.01626 -0.01167 -0.00569 0.00000 33 2PX -0.01516 -0.20376 0.11767 -0.04151 0.00001 34 2PY -0.00001 0.00000 -0.00001 0.00000 -0.09020 35 2PZ 0.01694 0.04307 0.34133 0.05988 -0.00002 36 3S 0.00453 0.03589 -0.02014 -0.00545 0.00000 37 3PX -0.00585 -0.06428 0.04601 -0.01730 0.00001 38 3PY 0.00000 0.00000 -0.00001 0.00000 -0.03621 39 3PZ 0.00686 0.01506 0.14603 0.02875 -0.00001 40 4XX -0.00153 -0.01013 -0.00514 -0.00337 0.00000 41 4YY 0.00064 -0.00082 0.00161 0.00071 0.00000 42 4ZZ 0.00033 0.00857 0.00266 0.00255 0.00000 43 4XY 0.00000 0.00000 0.00000 0.00000 -0.00457 44 4XZ 0.00154 0.01017 -0.00345 0.00243 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00103 46 4 O 1S -0.00714 -0.03099 -0.01200 -0.01354 0.00506 47 2S 0.01760 0.07135 0.02254 0.03028 -0.01042 48 2PX -0.00052 -0.02472 0.07657 0.00503 -0.09817 49 2PY -0.02708 -0.20563 -0.02753 -0.06724 0.01474 50 2PZ 0.01271 -0.03922 0.21114 0.02040 0.04800 51 3S 0.01961 0.10268 0.05786 0.05109 -0.02822 52 3PX -0.00319 -0.02180 0.04779 -0.00031 -0.05227 53 3PY -0.01600 -0.12145 -0.01153 -0.03848 0.00481 54 3PZ 0.00771 -0.01900 0.11915 0.01125 0.02384 55 4XX 0.00184 0.00787 0.00095 0.00238 0.00099 56 4YY -0.00183 -0.01783 -0.00217 -0.00564 0.00138 57 4ZZ 0.00042 0.00773 -0.00410 0.00093 0.00028 58 4XY -0.00171 -0.00926 0.00574 -0.00109 -0.00433 59 4XZ -0.00005 -0.00312 -0.00350 -0.00141 0.00055 60 4YZ 0.00200 0.00441 0.01510 0.00349 0.00187 61 5 H 1S 0.00733 0.12868 0.00787 0.01868 0.05128 62 2S 0.00510 0.08379 0.00861 0.00894 0.04020 63 6 H 1S 0.00734 0.12868 0.00787 0.01869 -0.05128 64 2S 0.00510 0.08380 0.00862 0.00894 -0.04019 65 7 H 1S 0.00258 0.07565 -0.15170 -0.00262 0.00000 66 2S 0.00192 0.05463 -0.09213 0.00219 0.00000 67 8 O 1S -0.00714 -0.03099 -0.01200 -0.01354 -0.00506 68 2S 0.01759 0.07135 0.02255 0.03028 0.01043 69 2PX -0.00051 -0.02473 0.07657 0.00502 0.09815 70 2PY 0.02708 0.20563 0.02751 0.06724 0.01473 71 2PZ 0.01271 -0.03920 0.21115 0.02041 -0.04800 72 3S 0.01960 0.10268 0.05786 0.05109 0.02823 73 3PX -0.00318 -0.02181 0.04779 -0.00031 0.05226 74 3PY 0.01600 0.12146 0.01152 0.03848 0.00480 75 3PZ 0.00771 -0.01899 0.11916 0.01126 -0.02385 76 4XX 0.00185 0.00787 0.00095 0.00238 -0.00100 77 4YY -0.00183 -0.01783 -0.00217 -0.00563 -0.00138 78 4ZZ 0.00042 0.00773 -0.00410 0.00093 -0.00028 79 4XY 0.00171 0.00926 -0.00574 0.00109 -0.00433 80 4XZ -0.00005 -0.00312 -0.00350 -0.00141 -0.00055 81 4YZ -0.00200 -0.00441 -0.01510 -0.00349 0.00187 82 9 H 1S 0.00990 0.05254 0.14692 0.03196 -0.00001 83 2S 0.00325 0.03539 0.09048 0.01697 -0.00001 84 10 C 1S 0.05845 -0.01090 0.00234 0.00660 -0.06596 85 2S -0.11866 0.02268 -0.00932 -0.01362 0.13624 86 2PX 0.03663 -0.02237 -0.04200 0.07603 -0.03238 87 2PY 0.13440 -0.00830 0.00191 -0.11882 0.07720 88 2PZ -0.11859 0.05576 0.02880 -0.16567 0.08021 89 3S -0.10308 0.02504 0.00652 -0.02696 0.13748 90 3PX 0.01229 -0.00563 -0.02136 0.02401 -0.01681 91 3PY 0.03056 -0.00052 -0.00086 -0.03598 0.02318 92 3PZ -0.03833 0.01641 0.00092 -0.05351 0.04403 93 4XX 0.00366 -0.00084 0.00057 -0.00135 -0.00217 94 4YY -0.00402 0.00138 -0.00071 -0.00242 -0.00884 95 4ZZ 0.00655 -0.00074 0.00003 -0.00106 0.00152 96 4XY 0.00205 -0.00071 0.00017 0.00033 -0.00428 97 4XZ 0.00165 -0.00084 0.00177 0.00235 -0.00539 98 4YZ -0.00623 0.00037 0.00056 0.00215 0.01050 99 11 C 1S -0.10190 0.01259 0.00927 0.00853 0.05985 100 2S 0.20613 -0.02571 -0.01813 -0.01988 -0.12489 101 2PX -0.00490 -0.01668 -0.03680 0.02441 0.01421 102 2PY 0.07417 0.02936 0.01537 -0.20212 -0.11461 103 2PZ -0.00522 -0.01582 -0.02812 0.00682 0.07697 104 3S 0.19023 -0.02821 -0.02649 -0.02166 -0.13288 105 3PX -0.00391 -0.01203 -0.01483 0.00524 0.00404 106 3PY 0.03168 0.01517 0.01012 -0.08185 -0.04980 107 3PZ -0.01128 -0.00517 -0.00890 -0.00108 0.04247 108 4XX -0.00824 0.00105 0.00208 0.00014 0.00658 109 4YY 0.00398 -0.00035 0.00028 -0.00246 -0.01070 110 4ZZ -0.00814 0.00227 0.00144 -0.00172 0.01136 111 4XY -0.00177 0.00014 0.00179 -0.00068 0.00208 112 4XZ 0.00022 0.00117 0.00056 0.00175 -0.00372 113 4YZ 0.00058 0.00018 0.00157 -0.00197 -0.00131 114 12 C 1S 0.04070 -0.00054 -0.00047 0.00253 -0.04567 115 2S -0.08231 0.00016 0.00106 -0.00467 0.09251 116 2PX -0.08042 -0.00160 -0.02411 -0.06516 0.09589 117 2PY 0.07814 0.00869 0.00007 -0.09213 0.03429 118 2PZ 0.07205 -0.04597 -0.05560 0.09587 -0.05654 119 3S -0.08200 0.00457 0.00442 -0.01097 0.12495 120 3PX -0.02709 -0.00453 -0.01236 -0.02439 0.04122 121 3PY 0.02368 0.00287 0.00032 -0.03840 0.01621 122 3PZ 0.02413 -0.01339 -0.02144 0.03971 -0.02436 123 4XX 0.00245 -0.00037 -0.00037 -0.00149 0.00161 124 4YY -0.00226 -0.00009 0.00018 -0.00060 -0.00757 125 4ZZ 0.00247 0.00067 0.00084 -0.00205 0.00237 126 4XY -0.00348 -0.00053 -0.00023 0.00268 0.00844 127 4XZ -0.00679 0.00193 0.00111 -0.00537 0.00582 128 4YZ 0.00369 -0.00018 -0.00057 -0.00210 -0.00562 129 13 C 1S 0.04070 -0.00055 -0.00047 0.00253 0.04567 130 2S -0.08231 0.00016 0.00106 -0.00467 -0.09251 131 2PX -0.08042 -0.00160 -0.02411 -0.06517 -0.09594 132 2PY -0.07816 -0.00868 -0.00007 0.09211 0.03429 133 2PZ 0.07203 -0.04597 -0.05560 0.09588 0.05650 134 3S -0.08201 0.00458 0.00442 -0.01096 -0.12495 135 3PX -0.02709 -0.00453 -0.01236 -0.02439 -0.04124 136 3PY -0.02369 -0.00287 -0.00032 0.03840 0.01621 137 3PZ 0.02413 -0.01339 -0.02144 0.03972 0.02435 138 4XX 0.00245 -0.00037 -0.00037 -0.00148 -0.00162 139 4YY -0.00226 -0.00009 0.00018 -0.00060 0.00757 140 4ZZ 0.00247 0.00067 0.00084 -0.00205 -0.00237 141 4XY 0.00348 0.00053 0.00023 -0.00268 0.00844 142 4XZ -0.00679 0.00193 0.00111 -0.00537 -0.00582 143 4YZ -0.00369 0.00018 0.00057 0.00210 -0.00562 144 14 C 1S -0.10190 0.01258 0.00927 0.00854 -0.05985 145 2S 0.20613 -0.02571 -0.01813 -0.01989 0.12489 146 2PX -0.00489 -0.01667 -0.03679 0.02440 -0.01421 147 2PY -0.07417 -0.02936 -0.01537 0.20213 -0.11459 148 2PZ -0.00523 -0.01584 -0.02813 0.00686 -0.07700 149 3S 0.19023 -0.02821 -0.02649 -0.02166 0.13288 150 3PX -0.00390 -0.01203 -0.01483 0.00523 -0.00404 151 3PY -0.03168 -0.01518 -0.01012 0.08185 -0.04978 152 3PZ -0.01128 -0.00518 -0.00890 -0.00106 -0.04249 153 4XX -0.00824 0.00105 0.00208 0.00014 -0.00658 154 4YY 0.00398 -0.00035 0.00028 -0.00246 0.01070 155 4ZZ -0.00814 0.00227 0.00144 -0.00172 -0.01136 156 4XY 0.00177 -0.00014 -0.00179 0.00068 0.00208 157 4XZ 0.00022 0.00117 0.00056 0.00175 0.00372 158 4YZ -0.00058 -0.00018 -0.00157 0.00197 -0.00131 159 15 C 1S 0.05845 -0.01090 0.00235 0.00660 0.06596 160 2S -0.11866 0.02267 -0.00933 -0.01362 -0.13624 161 2PX 0.03663 -0.02237 -0.04200 0.07603 0.03238 162 2PY -0.13438 0.00829 -0.00191 0.11885 0.07723 163 2PZ -0.11862 0.05576 0.02880 -0.16565 -0.08020 164 3S -0.10308 0.02504 0.00651 -0.02696 -0.13748 165 3PX 0.01230 -0.00563 -0.02136 0.02401 0.01681 166 3PY -0.03056 0.00052 0.00086 0.03599 0.02320 167 3PZ -0.03833 0.01641 0.00092 -0.05351 -0.04403 168 4XX 0.00366 -0.00084 0.00057 -0.00135 0.00217 169 4YY -0.00402 0.00138 -0.00071 -0.00242 0.00884 170 4ZZ 0.00655 -0.00074 0.00002 -0.00106 -0.00152 171 4XY -0.00205 0.00071 -0.00017 -0.00033 -0.00428 172 4XZ 0.00165 -0.00084 0.00177 0.00235 0.00539 173 4YZ 0.00623 -0.00036 -0.00056 -0.00215 0.01050 174 16 H 1S -0.06479 0.03302 0.01757 -0.11823 0.12807 175 2S -0.02650 0.02056 0.01786 -0.07923 0.07733 176 17 H 1S 0.11594 0.00614 0.00308 -0.11393 -0.12717 177 2S 0.05033 0.00713 0.00335 -0.06907 -0.07882 178 18 H 1S -0.04273 0.02717 0.03108 -0.06038 0.06687 179 2S -0.02045 0.02295 0.02214 -0.03980 0.03628 180 19 H 1S -0.04273 0.02717 0.03107 -0.06038 -0.06686 181 2S -0.02046 0.02294 0.02213 -0.03980 -0.03627 182 20 H 1S 0.11594 0.00614 0.00308 -0.11394 0.12717 183 2S 0.05033 0.00713 0.00335 -0.06907 0.07882 184 21 H 1S -0.06479 0.03301 0.01757 -0.11823 -0.12808 185 2S -0.02650 0.02056 0.01786 -0.07923 -0.07733 186 22 H 1S -0.04629 -0.00435 -0.01778 -0.03888 0.08953 187 2S -0.02120 -0.00130 -0.01085 -0.02752 0.05310 188 23 H 1S -0.04628 -0.00435 -0.01779 -0.03887 -0.08956 189 2S -0.02120 -0.00130 -0.01085 -0.02752 -0.05312 26 27 28 29 30 O O O O O Eigenvalues -- -0.45309 -0.45144 -0.43988 -0.40847 -0.39752 1 1 C 1S -0.01979 0.03905 0.00119 0.00036 -0.01173 2 2S 0.04498 -0.07667 -0.00592 -0.00409 0.01812 3 2PX -0.06109 -0.11941 0.07449 0.03509 -0.00408 4 2PY -0.00038 0.06445 0.00055 0.01628 -0.00908 5 2PZ 0.05018 0.19275 -0.20308 -0.02439 -0.02228 6 3S 0.05335 -0.13096 -0.00422 0.00473 0.08514 7 3PX -0.02731 -0.03243 0.01625 0.01110 -0.00798 8 3PY -0.00925 -0.00144 0.00219 0.00685 0.02886 9 3PZ 0.01705 0.05475 -0.07788 -0.00588 -0.00029 10 4XX -0.00564 0.00749 -0.00365 -0.00229 0.00063 11 4YY 0.00143 -0.00156 0.00209 0.00056 -0.00204 12 4ZZ -0.00053 -0.00159 0.00341 0.00105 -0.00098 13 4XY 0.00288 0.01268 -0.00595 0.00017 0.00031 14 4XZ -0.00215 -0.00508 0.00267 0.00240 -0.00030 15 4YZ -0.00245 -0.02117 0.00408 0.00022 0.00355 16 2 C 1S -0.01970 -0.03909 0.00119 0.00036 0.01173 17 2S 0.04480 0.07677 -0.00592 -0.00409 -0.01812 18 2PX -0.06137 0.11927 0.07449 0.03508 0.00408 19 2PY 0.00023 0.06447 -0.00053 -0.01628 -0.00908 20 2PZ 0.05063 -0.19263 -0.20307 -0.02440 0.02228 21 3S 0.05305 0.13108 -0.00422 0.00473 -0.08514 22 3PX -0.02739 0.03237 0.01625 0.01110 0.00799 23 3PY 0.00925 -0.00141 -0.00219 -0.00685 0.02887 24 3PZ 0.01718 -0.05471 -0.07788 -0.00588 0.00030 25 4XX -0.00563 -0.00751 -0.00365 -0.00229 -0.00063 26 4YY 0.00143 0.00156 0.00209 0.00056 0.00203 27 4ZZ -0.00053 0.00159 0.00341 0.00105 0.00098 28 4XY -0.00291 0.01267 0.00595 -0.00017 0.00031 29 4XZ -0.00216 0.00508 0.00267 0.00240 0.00030 30 4YZ 0.00250 -0.02116 -0.00408 -0.00022 0.00355 31 3 C 1S -0.01424 -0.00002 0.02213 0.00482 0.00000 32 2S 0.02958 0.00003 -0.04355 -0.01006 0.00000 33 2PX -0.14653 -0.00016 0.26765 0.01856 0.00000 34 2PY -0.00024 0.19256 0.00000 0.00000 -0.03018 35 2PZ 0.16280 0.00019 -0.02319 -0.04745 -0.00001 36 3S 0.03606 0.00004 -0.06235 -0.01053 0.00000 37 3PX -0.05678 -0.00006 0.09988 0.00633 0.00000 38 3PY -0.00010 0.08481 0.00000 0.00000 -0.00596 39 3PZ 0.06678 0.00008 -0.00882 -0.01647 0.00000 40 4XX 0.00216 0.00000 -0.01173 -0.00167 0.00000 41 4YY -0.01759 -0.00002 0.02779 0.00656 0.00000 42 4ZZ 0.01538 0.00002 -0.01589 -0.00455 0.00000 43 4XY -0.00001 0.00857 0.00000 0.00000 -0.00155 44 4XZ 0.00031 0.00000 -0.00579 0.00232 0.00000 45 4YZ 0.00000 -0.00422 0.00000 0.00000 0.00341 46 4 O 1S 0.01030 -0.01715 -0.01853 -0.00592 0.00589 47 2S -0.02384 0.03777 0.04255 0.01226 -0.00925 48 2PX 0.12894 0.22484 -0.19748 -0.04915 -0.02979 49 2PY -0.05483 -0.03588 0.03811 -0.01564 0.03585 50 2PZ -0.02741 -0.06197 0.09758 0.02822 -0.03721 51 3S -0.04584 0.08329 0.07702 0.02611 -0.03738 52 3PX 0.06842 0.11877 -0.10830 -0.02769 -0.02348 53 3PY -0.02776 -0.01195 0.01582 -0.01339 0.01958 54 3PZ -0.00902 -0.02664 0.05160 0.01717 -0.02470 55 4XX 0.00431 -0.00123 -0.00751 -0.00015 0.00020 56 4YY -0.00403 -0.00197 0.00336 -0.00144 0.00256 57 4ZZ 0.00298 -0.00339 -0.00022 -0.00108 0.00230 58 4XY 0.00538 0.00937 -0.00787 -0.00225 -0.00096 59 4XZ -0.00455 -0.00008 0.00245 0.00178 -0.00047 60 4YZ 0.00088 -0.00241 0.00408 0.00081 -0.00167 61 5 H 1S -0.01743 -0.17743 0.09699 0.00888 0.02031 62 2S -0.02810 -0.13974 0.07204 0.00583 0.01265 63 6 H 1S -0.01785 0.17739 0.09699 0.00889 -0.02031 64 2S -0.02843 0.13967 0.07204 0.00583 -0.01264 65 7 H 1S 0.03428 0.00004 -0.14784 0.00073 0.00000 66 2S 0.02399 0.00003 -0.10849 0.00332 0.00000 67 8 O 1S 0.01026 0.01717 -0.01853 -0.00592 -0.00589 68 2S -0.02375 -0.03783 0.04255 0.01226 0.00925 69 2PX 0.12947 -0.22455 -0.19746 -0.04915 0.02978 70 2PY 0.05493 -0.03577 -0.03813 0.01563 0.03585 71 2PZ -0.02756 0.06190 0.09758 0.02821 0.03721 72 3S -0.04565 -0.08340 0.07702 0.02610 0.03738 73 3PX 0.06870 -0.11862 -0.10829 -0.02769 0.02347 74 3PY 0.02779 -0.01190 -0.01583 0.01339 0.01957 75 3PZ -0.00908 0.02662 0.05160 0.01717 0.02471 76 4XX 0.00430 0.00124 -0.00751 -0.00015 -0.00020 77 4YY -0.00404 0.00197 0.00336 -0.00144 -0.00256 78 4ZZ 0.00297 0.00340 -0.00022 -0.00108 -0.00230 79 4XY -0.00540 0.00936 0.00787 0.00225 -0.00096 80 4XZ -0.00456 0.00007 0.00245 0.00178 0.00047 81 4YZ -0.00087 -0.00241 -0.00408 -0.00080 -0.00167 82 9 H 1S 0.12955 0.00014 -0.08178 -0.03916 0.00000 83 2S 0.09072 0.00010 -0.05727 -0.03256 0.00000 84 10 C 1S 0.00266 -0.02760 -0.00239 -0.00474 0.00868 85 2S -0.00838 0.05879 0.00484 0.00976 -0.02299 86 2PX 0.02556 -0.02537 0.03925 0.00435 -0.08808 87 2PY 0.06123 0.03375 0.00964 0.19372 0.01381 88 2PZ -0.00841 0.04835 0.01799 -0.17667 0.17985 89 3S -0.00210 0.06823 0.00680 0.01262 -0.02900 90 3PX 0.01169 -0.00262 0.02087 -0.00357 -0.02637 91 3PY 0.01737 0.01955 0.00209 0.07022 0.03521 92 3PZ -0.00442 0.01265 0.00707 -0.06669 0.03024 93 4XX 0.00169 -0.00125 0.00048 -0.00201 0.00013 94 4YY -0.00107 -0.00304 0.00031 -0.00312 0.00826 95 4ZZ -0.00047 0.00162 -0.00092 0.00348 -0.00319 96 4XY -0.00028 -0.00283 -0.00068 0.00043 -0.00635 97 4XZ -0.00142 -0.00227 -0.00273 0.00258 0.00098 98 4YZ -0.00132 0.00533 -0.00071 -0.00130 0.01036 99 11 C 1S 0.00336 0.02705 -0.00008 0.00108 0.02666 100 2S -0.00569 -0.05463 0.00165 -0.00168 -0.06291 101 2PX 0.02759 -0.02376 0.05385 -0.14844 -0.07353 102 2PY 0.02375 -0.03897 0.01060 -0.03118 0.26787 103 2PZ 0.07847 0.01330 0.02384 0.23027 -0.06601 104 3S -0.01467 -0.07824 -0.00698 -0.01373 -0.08740 105 3PX 0.01389 -0.00669 0.02309 -0.05359 -0.02931 106 3PY 0.01521 -0.00838 0.01335 -0.00548 0.07495 107 3PZ 0.03218 -0.00697 0.01205 0.07457 -0.03258 108 4XX 0.00548 0.00124 0.00108 -0.00397 -0.00213 109 4YY -0.00119 -0.00413 -0.00074 -0.00235 0.01220 110 4ZZ -0.00334 0.00632 -0.00121 0.00492 -0.00201 111 4XY -0.00146 0.00120 -0.00204 0.00381 0.00061 112 4XZ 0.00088 0.00060 0.00109 0.00210 0.00072 113 4YZ -0.00202 0.00008 -0.00107 -0.00380 0.00285 114 12 C 1S -0.00078 -0.00722 0.00408 0.00367 0.00875 115 2S 0.00132 0.01265 -0.00954 -0.00881 -0.01490 116 2PX 0.20970 0.00677 0.09191 0.11210 0.02585 117 2PY -0.00035 0.00190 0.02190 -0.13295 0.01534 118 2PZ 0.13925 -0.05252 0.10838 -0.16391 -0.14478 119 3S 0.00478 0.02627 -0.00948 -0.02054 -0.06318 120 3PX 0.09157 -0.00706 0.03531 0.04794 0.00821 121 3PY 0.00056 -0.00937 0.00667 -0.06656 0.03970 122 3PZ 0.06149 -0.01879 0.05196 -0.07195 -0.06738 123 4XX 0.00866 -0.00045 0.00514 -0.00223 -0.00290 124 4YY 0.00004 -0.00202 -0.00104 0.00154 0.00510 125 4ZZ -0.00720 0.00099 -0.00403 0.00299 -0.00019 126 4XY 0.00157 0.00106 0.00049 0.00198 -0.00143 127 4XZ 0.00239 0.00245 0.00065 0.00408 0.00623 128 4YZ 0.00202 -0.00436 0.00163 -0.00189 -0.00696 129 13 C 1S -0.00079 0.00722 0.00408 0.00367 -0.00875 130 2S 0.00133 -0.01265 -0.00954 -0.00881 0.01489 131 2PX 0.20968 -0.00629 0.09191 0.11209 -0.02583 132 2PY 0.00036 0.00188 -0.02190 0.13297 0.01529 133 2PZ 0.13916 0.05284 0.10839 -0.16391 0.14475 134 3S 0.00481 -0.02626 -0.00949 -0.02053 0.06317 135 3PX 0.09155 0.00727 0.03531 0.04793 -0.00821 136 3PY -0.00053 -0.00938 -0.00667 0.06657 0.03968 137 3PZ 0.06146 0.01893 0.05196 -0.07195 0.06737 138 4XX 0.00866 0.00047 0.00514 -0.00223 0.00291 139 4YY 0.00004 0.00202 -0.00104 0.00154 -0.00510 140 4ZZ -0.00720 -0.00100 -0.00403 0.00299 0.00019 141 4XY -0.00157 0.00105 -0.00049 -0.00198 -0.00143 142 4XZ 0.00240 -0.00244 0.00065 0.00408 -0.00623 143 4YZ -0.00201 -0.00437 -0.00163 0.00189 -0.00696 144 14 C 1S 0.00341 -0.02704 -0.00008 0.00108 -0.02666 145 2S -0.00579 0.05462 0.00165 -0.00168 0.06290 146 2PX 0.02752 0.02382 0.05384 -0.14846 0.07350 147 2PY -0.02370 -0.03902 -0.01060 0.03112 0.26785 148 2PZ 0.07849 -0.01311 0.02384 0.23026 0.06608 149 3S -0.01482 0.07820 -0.00698 -0.01374 0.08740 150 3PX 0.01387 0.00673 0.02309 -0.05359 0.02930 151 3PY -0.01521 -0.00842 -0.01335 0.00546 0.07494 152 3PZ 0.03216 0.00705 0.01204 0.07457 0.03260 153 4XX 0.00549 -0.00123 0.00108 -0.00397 0.00213 154 4YY -0.00120 0.00413 -0.00074 -0.00235 -0.01220 155 4ZZ -0.00333 -0.00633 -0.00121 0.00492 0.00201 156 4XY 0.00146 0.00121 0.00204 -0.00381 0.00061 157 4XZ 0.00089 -0.00059 0.00109 0.00210 -0.00072 158 4YZ 0.00202 0.00009 0.00107 0.00380 0.00285 159 15 C 1S 0.00261 0.02760 -0.00239 -0.00474 -0.00869 160 2S -0.00827 -0.05881 0.00484 0.00976 0.02299 161 2PX 0.02551 0.02543 0.03925 0.00434 0.08808 162 2PY -0.06129 0.03361 -0.00964 -0.19369 0.01386 163 2PZ -0.00833 -0.04837 0.01799 -0.17668 -0.17988 164 3S -0.00197 -0.06823 0.00679 0.01263 0.02900 165 3PX 0.01168 0.00265 0.02087 -0.00357 0.02637 166 3PY -0.01741 0.01951 -0.00209 -0.07021 0.03522 167 3PZ -0.00440 -0.01266 0.00707 -0.06671 -0.03024 168 4XX 0.00169 0.00125 0.00048 -0.00202 -0.00013 169 4YY -0.00108 0.00304 0.00031 -0.00312 -0.00826 170 4ZZ -0.00046 -0.00162 -0.00092 0.00348 0.00319 171 4XY 0.00028 -0.00283 0.00068 -0.00043 -0.00635 172 4XZ -0.00142 0.00227 -0.00273 0.00258 -0.00098 173 4YZ 0.00131 0.00534 0.00071 0.00129 0.01035 174 16 H 1S 0.00450 0.06595 0.00441 -0.02100 0.10616 175 2S 0.00662 0.04510 0.00461 -0.02019 0.10360 176 17 H 1S 0.00530 -0.04743 0.00170 -0.01723 0.14877 177 2S 0.00401 -0.03228 -0.00269 -0.01648 0.15130 178 18 H 1S -0.09807 0.04050 -0.06514 0.05050 0.07714 179 2S -0.07766 0.03785 -0.04256 0.04870 0.06554 180 19 H 1S -0.09799 -0.04073 -0.06514 0.05052 -0.07712 181 2S -0.07758 -0.03802 -0.04257 0.04871 -0.06552 182 20 H 1S 0.00522 0.04744 0.00170 -0.01723 -0.14877 183 2S 0.00395 0.03229 -0.00269 -0.01648 -0.15130 184 21 H 1S 0.00462 -0.06595 0.00441 -0.02099 -0.10618 185 2S 0.00671 -0.04509 0.00461 -0.02018 -0.10362 186 22 H 1S 0.13166 0.00351 0.06573 0.00963 -0.01168 187 2S 0.09847 0.00543 0.05391 0.01198 -0.00671 188 23 H 1S 0.13165 -0.00321 0.06574 0.00962 0.01170 189 2S 0.09847 -0.00520 0.05391 0.01197 0.00673 31 32 33 34 35 O O O O O Eigenvalues -- -0.38848 -0.37953 -0.36268 -0.35121 -0.34583 1 1 C 1S 0.00535 -0.01143 -0.01223 -0.01540 -0.00447 2 2S -0.01189 0.02438 0.02566 0.03481 0.01597 3 2PX -0.06323 0.11948 -0.09582 -0.08548 -0.14537 4 2PY -0.11732 0.23044 -0.00449 0.02353 0.18101 5 2PZ -0.02587 0.04970 -0.04154 0.07332 -0.07954 6 3S -0.02484 0.04560 0.05273 0.07157 0.00432 7 3PX -0.03416 0.05476 -0.06074 -0.00090 -0.08094 8 3PY -0.02756 0.05933 0.01998 0.06544 0.05891 9 3PZ -0.00510 0.02495 -0.02720 0.00320 -0.06469 10 4XX 0.00331 -0.00954 0.00702 0.01075 0.00084 11 4YY -0.00439 0.00880 -0.00348 -0.01020 0.00549 12 4ZZ 0.00385 -0.00627 -0.00549 -0.00160 -0.01066 13 4XY -0.00344 0.00531 0.00403 -0.00058 0.00014 14 4XZ -0.00492 0.00892 -0.00345 -0.00606 0.00358 15 4YZ 0.00192 -0.00362 0.00541 -0.00105 -0.00793 16 2 C 1S 0.00535 -0.01143 0.01223 0.01540 -0.00448 17 2S -0.01189 0.02438 -0.02567 -0.03481 0.01598 18 2PX -0.06323 0.11948 0.09581 0.08544 -0.14540 19 2PY 0.11732 -0.23044 -0.00451 0.02350 -0.18102 20 2PZ -0.02586 0.04967 0.04155 -0.07335 -0.07953 21 3S -0.02483 0.04560 -0.05274 -0.07157 0.00435 22 3PX -0.03416 0.05475 0.06073 0.00087 -0.08094 23 3PY 0.02756 -0.05933 0.01997 0.06542 -0.05893 24 3PZ -0.00510 0.02494 0.02720 -0.00322 -0.06470 25 4XX 0.00331 -0.00954 -0.00703 -0.01075 0.00084 26 4YY -0.00439 0.00880 0.00348 0.01020 0.00548 27 4ZZ 0.00385 -0.00627 0.00549 0.00160 -0.01066 28 4XY 0.00345 -0.00532 0.00403 -0.00058 -0.00014 29 4XZ -0.00492 0.00892 0.00345 0.00606 0.00358 30 4YZ -0.00192 0.00362 0.00541 -0.00105 0.00793 31 3 C 1S -0.01611 0.02995 0.00000 0.00000 0.02288 32 2S 0.04094 -0.07406 0.00000 -0.00001 -0.05582 33 2PX 0.07062 -0.12802 -0.00001 0.00000 -0.03506 34 2PY 0.00000 0.00000 -0.07708 -0.13505 0.00002 35 2PZ 0.05922 -0.10331 0.00000 0.00002 0.20386 36 3S 0.04025 -0.07740 0.00000 -0.00001 -0.07808 37 3PX 0.02306 -0.05228 0.00000 0.00000 -0.03715 38 3PY 0.00000 0.00000 -0.00727 0.00273 0.00000 39 3PZ 0.02010 -0.02756 0.00000 0.00001 0.05911 40 4XX 0.00215 -0.00364 0.00000 0.00000 -0.01381 41 4YY -0.00707 0.01380 0.00000 0.00000 0.00258 42 4ZZ 0.00453 -0.00872 0.00000 0.00000 0.01489 43 4XY 0.00000 0.00000 -0.00317 -0.01642 0.00000 44 4XZ -0.00715 0.01400 0.00000 0.00000 -0.01268 45 4YZ 0.00000 0.00000 0.01704 0.01360 0.00000 46 4 O 1S 0.02073 -0.03798 0.01955 0.03007 -0.01777 47 2S -0.04034 0.07512 -0.03666 -0.06084 0.03512 48 2PX 0.05049 -0.09534 -0.08883 0.02274 -0.07141 49 2PY 0.10221 -0.19214 0.14272 0.33784 -0.12046 50 2PZ -0.04936 0.11011 -0.22317 -0.13254 -0.10195 51 3S -0.10029 0.17949 -0.09442 -0.10698 0.08853 52 3PX 0.03132 -0.06235 -0.06565 0.01543 -0.05533 53 3PY 0.06382 -0.12123 0.09046 0.22445 -0.07446 54 3PZ -0.02977 0.06855 -0.14870 -0.09403 -0.06637 55 4XX -0.00132 0.00310 -0.00290 -0.00206 -0.00656 56 4YY 0.00801 -0.01402 0.00757 0.01587 -0.00858 57 4ZZ 0.00360 -0.00685 0.00645 0.00015 0.00655 58 4XY 0.00077 -0.00114 -0.00274 0.00341 0.00057 59 4XZ -0.00198 0.00373 -0.00015 -0.00069 -0.00437 60 4YZ -0.00086 0.00260 -0.01084 -0.01030 -0.00481 61 5 H 1S 0.04806 -0.08530 0.01208 -0.03995 -0.06526 62 2S 0.05595 -0.08497 0.00479 -0.03842 -0.07197 63 6 H 1S 0.04806 -0.08530 -0.01209 0.03994 -0.06527 64 2S 0.05595 -0.08497 -0.00480 0.03840 -0.07198 65 7 H 1S -0.03782 0.06857 0.00000 -0.00002 -0.09776 66 2S -0.04373 0.07978 0.00000 -0.00002 -0.09746 67 8 O 1S 0.02073 -0.03798 -0.01955 -0.03008 -0.01776 68 2S -0.04034 0.07512 0.03667 0.06084 0.03509 69 2PX 0.05049 -0.09535 0.08883 -0.02278 -0.07141 70 2PY -0.10221 0.19214 0.14272 0.33785 0.12034 71 2PZ -0.04937 0.11011 0.22317 0.13254 -0.10198 72 3S -0.10030 0.17949 0.09444 0.10700 0.08849 73 3PX 0.03132 -0.06236 0.06564 -0.01546 -0.05533 74 3PY -0.06382 0.12123 0.09046 0.22445 0.07439 75 3PZ -0.02977 0.06855 0.14871 0.09403 -0.06639 76 4XX -0.00132 0.00310 0.00290 0.00206 -0.00656 77 4YY 0.00801 -0.01402 -0.00757 -0.01587 -0.00857 78 4ZZ 0.00360 -0.00685 -0.00645 -0.00015 0.00655 79 4XY -0.00077 0.00114 -0.00274 0.00341 -0.00057 80 4XZ -0.00198 0.00373 0.00015 0.00069 -0.00437 81 4YZ 0.00086 -0.00260 -0.01084 -0.01030 0.00481 82 9 H 1S 0.04901 -0.09035 0.00000 0.00002 0.12354 83 2S 0.03185 -0.07218 0.00000 0.00002 0.13817 84 10 C 1S -0.01886 -0.00414 -0.00775 0.00531 -0.00793 85 2S 0.04386 0.00811 0.00950 -0.01311 0.01959 86 2PX 0.07045 -0.00821 -0.01643 0.01407 0.12817 87 2PY -0.18930 -0.11941 -0.00621 -0.00273 0.08250 88 2PZ -0.12423 -0.03040 -0.05111 0.00118 0.01028 89 3S 0.06861 0.01613 0.08490 -0.02828 0.00542 90 3PX 0.02686 -0.01341 -0.00882 -0.00309 0.07368 91 3PY -0.05033 -0.03669 -0.02488 -0.00255 0.02835 92 3PZ -0.04608 -0.01361 -0.05042 0.00498 0.01503 93 4XX -0.00332 -0.00156 -0.00136 0.00070 0.00004 94 4YY 0.00574 0.00241 -0.00511 0.00114 -0.00060 95 4ZZ -0.00860 -0.00451 0.00298 -0.00221 -0.00022 96 4XY 0.00132 0.00129 -0.00157 0.00125 -0.00261 97 4XZ 0.00520 0.00401 0.00151 -0.00003 -0.00541 98 4YZ -0.00236 -0.00049 -0.00159 -0.00081 -0.00109 99 11 C 1S 0.00040 0.00306 -0.00569 0.00693 -0.00639 100 2S -0.00151 -0.00762 0.01715 -0.01696 0.01794 101 2PX -0.01288 -0.01470 -0.06017 0.02591 0.10669 102 2PY 0.02938 0.03150 -0.12612 0.03703 -0.02176 103 2PZ 0.03668 -0.02875 -0.04280 0.03901 0.07081 104 3S -0.00558 -0.00986 -0.02464 -0.02035 0.00487 105 3PX 0.01383 -0.00445 -0.05211 0.01220 0.05843 106 3PY 0.01081 -0.00059 -0.01706 0.00497 -0.00418 107 3PZ -0.01706 -0.01245 -0.03426 0.03623 0.05150 108 4XX -0.00089 0.00260 -0.00103 0.00418 -0.00645 109 4YY 0.00270 0.00228 -0.00597 0.00112 -0.00452 110 4ZZ -0.00052 -0.00269 0.00612 -0.00420 0.00654 111 4XY 0.00422 0.00450 0.00171 -0.00076 -0.00246 112 4XZ 0.00120 -0.00003 -0.00078 0.00185 -0.00081 113 4YZ -0.01047 -0.00385 0.00075 -0.00121 -0.00122 114 12 C 1S 0.01875 0.01128 -0.00689 0.00206 -0.00178 115 2S -0.04059 -0.02637 0.00956 -0.00663 0.00152 116 2PX 0.08384 0.07654 -0.16735 0.14283 -0.08430 117 2PY 0.19846 0.13948 -0.00465 -0.00124 0.06106 118 2PZ -0.12409 -0.02473 -0.11387 0.10271 -0.05865 119 3S -0.07966 -0.03239 0.06563 -0.00137 0.01408 120 3PX 0.05122 0.03447 -0.08259 0.05866 -0.04110 121 3PY 0.08015 0.06424 -0.02462 0.00646 0.03076 122 3PZ -0.05446 -0.01565 -0.03586 0.05103 -0.02361 123 4XX 0.00294 0.00629 -0.00588 0.00631 -0.00833 124 4YY -0.00641 -0.00441 -0.00262 0.00033 -0.00195 125 4ZZ 0.00881 0.00108 0.00715 -0.00654 0.00993 126 4XY -0.00006 0.00016 -0.00961 0.00886 -0.00010 127 4XZ 0.00390 0.00251 -0.00326 0.00188 -0.00152 128 4YZ -0.00093 0.00023 -0.00929 0.00753 -0.00009 129 13 C 1S 0.01875 0.01128 0.00689 -0.00206 -0.00178 130 2S -0.04059 -0.02637 -0.00956 0.00664 0.00151 131 2PX 0.08385 0.07654 0.16735 -0.14286 -0.08430 132 2PY -0.19844 -0.13947 -0.00469 -0.00122 -0.06106 133 2PZ -0.12415 -0.02477 0.11386 -0.10273 -0.05863 134 3S -0.07966 -0.03240 -0.06563 0.00138 0.01410 135 3PX 0.05122 0.03447 0.08259 -0.05867 -0.04111 136 3PY -0.08014 -0.06424 -0.02463 0.00647 -0.03076 137 3PZ -0.05447 -0.01567 0.03585 -0.05104 -0.02359 138 4XX 0.00294 0.00628 0.00588 -0.00631 -0.00833 139 4YY -0.00641 -0.00441 0.00262 -0.00033 -0.00195 140 4ZZ 0.00881 0.00108 -0.00715 0.00654 0.00992 141 4XY 0.00007 -0.00015 -0.00960 0.00886 0.00010 142 4XZ 0.00390 0.00251 0.00326 -0.00188 -0.00152 143 4YZ 0.00093 -0.00023 -0.00929 0.00753 0.00009 144 14 C 1S 0.00040 0.00306 0.00570 -0.00693 -0.00639 145 2S -0.00152 -0.00762 -0.01715 0.01697 0.01794 146 2PX -0.01289 -0.01471 0.06018 -0.02588 0.10672 147 2PY -0.02941 -0.03151 -0.12612 0.03704 0.02177 148 2PZ 0.03666 -0.02876 0.04281 -0.03899 0.07081 149 3S -0.00561 -0.00987 0.02463 0.02036 0.00485 150 3PX 0.01383 -0.00446 0.05211 -0.01218 0.05844 151 3PY -0.01082 0.00059 -0.01707 0.00498 0.00418 152 3PZ -0.01706 -0.01246 0.03427 -0.03622 0.05150 153 4XX -0.00089 0.00260 0.00103 -0.00418 -0.00645 154 4YY 0.00270 0.00228 0.00597 -0.00112 -0.00453 155 4ZZ -0.00052 -0.00268 -0.00612 0.00420 0.00654 156 4XY -0.00422 -0.00450 0.00171 -0.00075 0.00246 157 4XZ 0.00120 -0.00003 0.00079 -0.00185 -0.00081 158 4YZ 0.01047 0.00385 0.00076 -0.00121 0.00122 159 15 C 1S -0.01886 -0.00414 0.00775 -0.00531 -0.00793 160 2S 0.04386 0.00811 -0.00949 0.01311 0.01959 161 2PX 0.07043 -0.00822 0.01646 -0.01404 0.12817 162 2PY 0.18932 0.11941 -0.00623 -0.00274 -0.08250 163 2PZ -0.12417 -0.03037 0.05109 -0.00117 0.01027 164 3S 0.06862 0.01613 -0.08490 0.02828 0.00544 165 3PX 0.02686 -0.01341 0.00884 0.00311 0.07368 166 3PY 0.05033 0.03669 -0.02489 -0.00255 -0.02834 167 3PZ -0.04607 -0.01361 0.05041 -0.00497 0.01502 168 4XX -0.00332 -0.00156 0.00136 -0.00070 0.00004 169 4YY 0.00574 0.00241 0.00511 -0.00114 -0.00060 170 4ZZ -0.00860 -0.00451 -0.00298 0.00221 -0.00022 171 4XY -0.00132 -0.00129 -0.00157 0.00125 0.00261 172 4XZ 0.00520 0.00401 -0.00151 0.00003 -0.00541 173 4YZ 0.00237 0.00049 -0.00159 -0.00081 0.00109 174 16 H 1S -0.12059 -0.04952 -0.01526 -0.01176 0.01042 175 2S -0.11932 -0.04876 -0.00095 -0.00445 0.01303 176 17 H 1S 0.02108 0.01891 -0.07141 0.01551 -0.02341 177 2S 0.02025 0.02648 -0.07458 0.03196 -0.02576 178 18 H 1S 0.09373 0.02345 0.10140 -0.08842 0.06537 179 2S 0.09644 0.01926 0.09999 -0.08316 0.06320 180 19 H 1S 0.09376 0.02347 -0.10137 0.08842 0.06535 181 2S 0.09647 0.01928 -0.09996 0.08316 0.06318 182 20 H 1S 0.02109 0.01892 0.07140 -0.01550 -0.02342 183 2S 0.02027 0.02649 0.07458 -0.03195 -0.02577 184 21 H 1S -0.12057 -0.04952 0.01525 0.01176 0.01043 185 2S -0.11930 -0.04875 0.00094 0.00445 0.01304 186 22 H 1S 0.05303 0.06153 -0.11862 0.10631 -0.05198 187 2S 0.04641 0.06014 -0.11151 0.10343 -0.05396 188 23 H 1S 0.05301 0.06151 0.11863 -0.10634 -0.05198 189 2S 0.04639 0.06012 0.11152 -0.10346 -0.05395 36 37 38 39 40 O O O O O Eigenvalues -- -0.32850 -0.32252 -0.31725 -0.27465 -0.19648 1 1 C 1S -0.02810 -0.00910 0.00005 -0.00738 0.00322 2 2S 0.06339 0.02178 0.00184 0.02132 -0.00201 3 2PX 0.06180 0.02463 -0.05204 0.06480 -0.06601 4 2PY -0.01672 -0.00570 0.06286 -0.02473 -0.00228 5 2PZ 0.04907 0.01978 -0.03168 0.02877 -0.08600 6 3S 0.09262 0.02120 0.00416 -0.00226 -0.02126 7 3PX 0.07203 0.04388 -0.03753 0.05214 -0.05119 8 3PY 0.01198 -0.00502 0.01515 -0.00543 0.04375 9 3PZ 0.01566 -0.01211 -0.02391 0.01898 -0.05137 10 4XX -0.00886 -0.00254 0.00148 -0.01078 -0.00787 11 4YY -0.00599 -0.00210 0.00266 0.00081 0.00127 12 4ZZ 0.01154 0.00354 -0.00436 0.00764 0.00486 13 4XY -0.01009 -0.00336 -0.00113 -0.00056 0.00409 14 4XZ -0.00530 -0.00188 0.00245 -0.00767 -0.00825 15 4YZ 0.00130 0.00022 -0.00304 0.00174 0.00642 16 2 C 1S 0.02811 0.00910 0.00005 -0.00738 -0.00321 17 2S -0.06339 -0.02178 0.00184 0.02131 0.00199 18 2PX -0.06182 -0.02461 -0.05205 0.06480 0.06587 19 2PY -0.01673 -0.00567 -0.06286 0.02473 -0.00231 20 2PZ -0.04908 -0.01976 -0.03170 0.02877 0.08587 21 3S -0.09262 -0.02121 0.00417 -0.00226 0.02121 22 3PX -0.07204 -0.04386 -0.03754 0.05214 0.05109 23 3PY 0.01198 -0.00502 -0.01515 0.00543 0.04371 24 3PZ -0.01567 0.01212 -0.02391 0.01898 0.05129 25 4XX 0.00886 0.00254 0.00148 -0.01078 0.00786 26 4YY 0.00599 0.00210 0.00266 0.00081 -0.00127 27 4ZZ -0.01154 -0.00354 -0.00436 0.00764 -0.00485 28 4XY -0.01009 -0.00336 0.00113 0.00056 0.00410 29 4XZ 0.00530 0.00188 0.00245 -0.00767 0.00825 30 4YZ 0.00131 0.00022 0.00304 -0.00174 0.00643 31 3 C 1S 0.00000 0.00000 0.00621 -0.00533 0.00000 32 2S 0.00000 0.00000 -0.01556 0.01467 -0.00001 33 2PX 0.00000 0.00000 0.00821 -0.05050 -0.00002 34 2PY -0.10184 -0.01912 0.00000 0.00000 0.03315 35 2PZ 0.00001 -0.00002 0.06961 -0.11482 -0.00002 36 3S 0.00000 0.00000 -0.01864 0.01754 -0.00001 37 3PX 0.00000 0.00000 -0.00535 -0.01871 0.00001 38 3PY -0.00616 0.00208 0.00000 0.00000 0.04267 39 3PZ 0.00000 0.00000 0.01476 -0.00287 0.00001 40 4XX 0.00000 0.00000 -0.00654 0.01594 0.00001 41 4YY 0.00000 0.00000 0.00247 -0.00582 0.00000 42 4ZZ 0.00000 0.00000 0.00532 -0.01159 0.00000 43 4XY -0.01949 -0.00618 0.00000 0.00000 -0.00524 44 4XZ 0.00000 0.00000 -0.00635 0.01627 0.00001 45 4YZ -0.01355 -0.00624 0.00000 0.00000 -0.00904 46 4 O 1S 0.01644 0.00226 -0.00292 -0.00339 -0.00913 47 2S -0.03498 -0.00673 0.00601 0.00398 0.02173 48 2PX 0.15359 0.06805 -0.05097 0.14022 0.09565 49 2PY 0.22685 0.06401 -0.03334 0.02712 0.02449 50 2PZ 0.26610 0.10483 -0.05280 0.18925 0.11230 51 3S -0.05340 0.00879 0.01072 0.03364 0.05327 52 3PX 0.11546 0.05275 -0.03704 0.10662 0.06932 53 3PY 0.15539 0.04734 -0.02443 0.03023 0.02286 54 3PZ 0.18572 0.07158 -0.03389 0.12847 0.09029 55 4XX 0.00406 0.00093 -0.00257 0.00356 -0.00381 56 4YY 0.01146 0.00267 -0.00179 0.00220 0.00203 57 4ZZ -0.00766 -0.00327 0.00290 -0.00935 0.00004 58 4XY 0.00718 0.00338 -0.00106 0.00469 0.00351 59 4XZ -0.00203 -0.00108 -0.00090 -0.00013 -0.00308 60 4YZ 0.00739 0.00312 -0.00243 0.00626 0.00414 61 5 H 1S 0.03695 0.00890 -0.02567 0.03207 0.05697 62 2S 0.01608 -0.01067 -0.03065 0.04243 0.09867 63 6 H 1S -0.03695 -0.00889 -0.02567 0.03206 -0.05694 64 2S -0.01608 0.01068 -0.03065 0.04243 -0.09862 65 7 H 1S -0.00001 0.00001 -0.04780 0.11328 0.00004 66 2S -0.00001 0.00001 -0.05321 0.13723 0.00007 67 8 O 1S -0.01644 -0.00226 -0.00292 -0.00339 0.00913 68 2S 0.03498 0.00672 0.00601 0.00398 -0.02173 69 2PX -0.15361 -0.06802 -0.05099 0.14022 -0.09555 70 2PY 0.22687 0.06400 0.03335 -0.02713 0.02451 71 2PZ -0.26609 -0.10479 -0.05284 0.18923 -0.11214 72 3S 0.05341 -0.00879 0.01071 0.03364 -0.05327 73 3PX -0.11548 -0.05273 -0.03706 0.10662 -0.06923 74 3PY 0.15540 0.04733 0.02444 -0.03024 0.02288 75 3PZ -0.18571 -0.07156 -0.03391 0.12846 -0.09016 76 4XX -0.00406 -0.00093 -0.00257 0.00356 0.00381 77 4YY -0.01146 -0.00267 -0.00179 0.00220 -0.00203 78 4ZZ 0.00766 0.00327 0.00291 -0.00935 -0.00004 79 4XY 0.00718 0.00338 0.00107 -0.00469 0.00351 80 4XZ 0.00203 0.00108 -0.00090 -0.00013 0.00308 81 4YZ 0.00738 0.00312 0.00243 -0.00626 0.00414 82 9 H 1S 0.00001 -0.00001 0.04452 -0.09021 -0.00003 83 2S 0.00001 -0.00001 0.05238 -0.13790 -0.00003 84 10 C 1S -0.00563 -0.00160 -0.00440 -0.00855 0.00570 85 2S 0.01408 0.01627 0.01510 0.00723 -0.01367 86 2PX 0.00122 0.05412 0.01188 0.26888 -0.18939 87 2PY 0.00340 0.01739 -0.21747 0.00211 -0.02687 88 2PZ 0.05885 -0.19801 0.01164 0.08591 -0.03639 89 3S 0.01898 -0.08278 0.00604 0.06364 0.02569 90 3PX 0.01691 0.00127 0.00419 0.17110 -0.12810 91 3PY 0.00371 0.04638 -0.07765 0.00613 -0.05782 92 3PZ 0.01861 -0.02452 0.01528 0.04378 -0.05455 93 4XX -0.00034 -0.00214 -0.00235 0.00031 -0.00260 94 4YY -0.00066 0.00100 0.00965 0.00104 -0.00290 95 4ZZ 0.00205 -0.00376 -0.00974 -0.00653 0.00803 96 4XY -0.00032 0.00446 0.00060 -0.00713 -0.01347 97 4XZ -0.00394 0.00629 0.00529 -0.00253 0.00677 98 4YZ 0.00522 -0.01617 -0.00470 -0.00518 -0.00061 99 11 C 1S -0.00832 -0.00157 0.00140 0.01294 -0.01335 100 2S 0.02230 -0.00063 -0.00836 -0.02454 0.02678 101 2PX 0.07221 -0.14643 -0.06574 0.10773 -0.26160 102 2PY -0.02891 0.02818 0.19003 0.06198 -0.08043 103 2PZ -0.07301 0.21878 -0.01468 0.07732 -0.14974 104 3S 0.00855 0.04621 0.01565 -0.06979 0.05648 105 3PX 0.03471 -0.05225 -0.02140 0.06686 -0.21430 106 3PY -0.00701 -0.02673 0.05530 0.06265 -0.03312 107 3PZ -0.03580 0.08815 -0.01112 0.04910 -0.11546 108 4XX -0.00404 -0.00652 -0.00654 -0.00236 0.00661 109 4YY -0.00127 0.00334 0.02105 0.00185 -0.00182 110 4ZZ 0.00332 0.00152 -0.01063 0.00495 -0.00610 111 4XY -0.00194 0.00373 -0.00367 -0.00537 0.00226 112 4XZ -0.00270 0.00275 0.00449 0.01141 -0.00600 113 4YZ 0.00261 -0.00791 -0.00110 -0.00085 0.00136 114 12 C 1S -0.00464 0.00715 -0.00600 0.00321 -0.00760 115 2S 0.00899 -0.01883 0.01693 -0.00825 0.01061 116 2PX -0.15284 0.11114 0.03086 -0.01511 0.06440 117 2PY 0.00851 -0.01620 -0.26997 -0.06316 -0.01229 118 2PZ -0.00360 -0.21044 -0.02784 -0.04124 0.04988 119 3S 0.02716 -0.04956 0.00457 -0.01193 0.08243 120 3PX -0.08213 0.06693 0.02647 -0.01010 0.03324 121 3PY -0.00287 -0.00697 -0.13436 -0.04400 -0.02243 122 3PZ -0.00705 -0.11142 -0.02326 0.00287 0.01925 123 4XX -0.00659 -0.00250 -0.00613 -0.00782 0.01451 124 4YY 0.00017 -0.00073 0.01200 0.00201 -0.00377 125 4ZZ 0.00371 0.00669 -0.00848 0.00560 -0.01197 126 4XY -0.00938 0.00667 -0.00336 -0.00079 0.00420 127 4XZ -0.00403 0.00619 0.00162 0.00110 -0.00056 128 4YZ -0.00065 -0.01336 0.00240 0.00168 0.00092 129 13 C 1S 0.00464 -0.00715 -0.00600 0.00321 0.00759 130 2S -0.00899 0.01883 0.01693 -0.00825 -0.01059 131 2PX 0.15284 -0.11115 0.03084 -0.01511 -0.06443 132 2PY 0.00850 -0.01631 0.26998 0.06316 -0.01228 133 2PZ 0.00360 0.21044 -0.02774 -0.04125 -0.04986 134 3S -0.02716 0.04956 0.00458 -0.01192 -0.08237 135 3PX 0.08212 -0.06694 0.02646 -0.01011 -0.03324 136 3PY -0.00288 -0.00703 0.13437 0.04400 -0.02244 137 3PZ 0.00705 0.11142 -0.02321 0.00287 -0.01924 138 4XX 0.00659 0.00251 -0.00613 -0.00782 -0.01452 139 4YY -0.00017 0.00073 0.01200 0.00201 0.00377 140 4ZZ -0.00370 -0.00669 -0.00848 0.00560 0.01197 141 4XY -0.00938 0.00667 0.00336 0.00079 0.00419 142 4XZ 0.00403 -0.00619 0.00162 0.00110 0.00055 143 4YZ -0.00065 -0.01335 -0.00240 -0.00168 0.00092 144 14 C 1S 0.00832 0.00157 0.00140 0.01294 0.01335 145 2S -0.02230 0.00063 -0.00836 -0.02454 -0.02678 146 2PX -0.07221 0.14644 -0.06570 0.10772 0.26163 147 2PY -0.02891 0.02827 -0.19003 -0.06198 -0.08044 148 2PZ 0.07301 -0.21877 -0.01475 0.07732 0.14974 149 3S -0.00855 -0.04622 0.01564 -0.06980 -0.05651 150 3PX -0.03471 0.05225 -0.02139 0.06685 0.21432 151 3PY -0.00702 -0.02670 -0.05531 -0.06266 -0.03314 152 3PZ 0.03580 -0.08816 -0.01114 0.04910 0.11547 153 4XX 0.00404 0.00652 -0.00653 -0.00236 -0.00661 154 4YY 0.00127 -0.00334 0.02105 0.00185 0.00182 155 4ZZ -0.00331 -0.00152 -0.01063 0.00495 0.00610 156 4XY -0.00194 0.00373 0.00367 0.00536 0.00226 157 4XZ 0.00270 -0.00275 0.00449 0.01141 0.00599 158 4YZ 0.00261 -0.00791 0.00111 0.00085 0.00136 159 15 C 1S 0.00563 0.00160 -0.00440 -0.00855 -0.00570 160 2S -0.01408 -0.01627 0.01509 0.00723 0.01367 161 2PX -0.00121 -0.05412 0.01186 0.26887 0.18930 162 2PY 0.00340 0.01732 0.21747 -0.00212 -0.02686 163 2PZ -0.05886 0.19802 0.01172 0.08589 0.03634 164 3S -0.01898 0.08278 0.00605 0.06365 -0.02569 165 3PX -0.01690 -0.00127 0.00418 0.17109 0.12802 166 3PY 0.00371 0.04636 0.07766 -0.00612 -0.05781 167 3PZ -0.01861 0.02452 0.01531 0.04376 0.05450 168 4XX 0.00034 0.00214 -0.00235 0.00031 0.00260 169 4YY 0.00066 -0.00099 0.00965 0.00104 0.00290 170 4ZZ -0.00204 0.00376 -0.00974 -0.00653 -0.00803 171 4XY -0.00032 0.00447 -0.00060 0.00713 -0.01348 172 4XZ 0.00394 -0.00629 0.00529 -0.00253 -0.00678 173 4YZ 0.00522 -0.01617 0.00470 0.00518 -0.00061 174 16 H 1S 0.04509 -0.12966 -0.07679 -0.02526 0.02834 175 2S 0.04289 -0.16007 -0.08734 -0.02212 0.04489 176 17 H 1S -0.01495 0.02975 0.15643 0.02271 -0.02018 177 2S -0.01825 0.04244 0.17273 0.02418 -0.04835 178 18 H 1S 0.02896 0.11873 -0.05352 0.01890 -0.06558 179 2S 0.02114 0.12423 -0.05983 0.04917 -0.10790 180 19 H 1S -0.02894 -0.11872 -0.05357 0.01890 0.06558 181 2S -0.02112 -0.12422 -0.05988 0.04917 0.10788 182 20 H 1S 0.01495 -0.02978 0.15642 0.02271 0.02019 183 2S 0.01824 -0.04248 0.17273 0.02417 0.04836 184 21 H 1S -0.04508 0.12968 -0.07676 -0.02526 -0.02834 185 2S -0.04288 0.16008 -0.08730 -0.02213 -0.04489 186 22 H 1S -0.09802 0.02590 -0.04330 -0.04240 0.08356 187 2S -0.09492 0.02512 -0.04677 -0.04276 0.10277 188 23 H 1S 0.09802 -0.02587 -0.04328 -0.04240 -0.08358 189 2S 0.09492 -0.02509 -0.04675 -0.04275 -0.10282 41 42 43 44 45 O V V V V Eigenvalues -- -0.19052 -0.00462 0.01543 0.08100 0.10931 1 1 C 1S 0.01540 -0.01252 -0.04276 -0.03552 0.05562 2 2S -0.03325 0.03731 0.09868 0.06353 -0.11712 3 2PX -0.21254 0.14633 0.24260 0.04332 -0.03569 4 2PY 0.06650 -0.02702 -0.07027 -0.09702 0.10482 5 2PZ -0.19730 0.09818 0.23161 -0.07921 -0.06541 6 3S -0.09782 0.00906 0.17569 0.51317 -0.46463 7 3PX -0.16601 0.16564 0.37687 0.06513 -0.12661 8 3PY 0.06746 -0.00709 -0.21103 -0.23038 0.23587 9 3PZ -0.13173 0.10720 0.15614 -0.15866 0.12289 10 4XX -0.01089 -0.00742 -0.00214 -0.00634 0.01314 11 4YY -0.00048 0.00140 -0.00199 0.00073 -0.00058 12 4ZZ 0.01340 -0.00072 -0.00930 -0.00030 0.00214 13 4XY -0.01253 0.01300 -0.01124 0.00282 -0.00085 14 4XZ 0.00000 -0.01007 0.00279 0.00198 -0.00468 15 4YZ -0.01078 0.01229 -0.01049 -0.00173 -0.00008 16 2 C 1S 0.01540 -0.01253 0.04275 -0.03551 -0.05561 17 2S -0.03325 0.03732 -0.09867 0.06352 0.11708 18 2PX -0.21258 0.14639 -0.24256 0.04330 0.03573 19 2PY -0.06648 0.02703 -0.07024 0.09702 0.10482 20 2PZ -0.19737 0.09824 -0.23160 -0.07923 0.06533 21 3S -0.09783 0.00907 -0.17569 0.51312 0.46455 22 3PX -0.16604 0.16573 -0.37682 0.06512 0.12682 23 3PY -0.06748 0.00712 -0.21103 0.23038 0.23583 24 3PZ -0.13178 0.10725 -0.15615 -0.15866 -0.12307 25 4XX -0.01089 -0.00741 0.00214 -0.00634 -0.01313 26 4YY -0.00048 0.00140 0.00199 0.00073 0.00058 27 4ZZ 0.01341 -0.00072 0.00930 -0.00030 -0.00214 28 4XY 0.01253 -0.01300 -0.01124 -0.00282 -0.00085 29 4XZ 0.00000 -0.01008 -0.00279 0.00198 0.00468 30 4YZ 0.01078 -0.01229 -0.01049 0.00173 -0.00007 31 3 C 1S 0.01259 -0.00370 0.00000 -0.02420 0.00000 32 2S -0.03916 0.00990 0.00000 0.04996 0.00000 33 2PX -0.06703 -0.00600 0.00000 0.00155 -0.00003 34 2PY -0.00001 0.00001 -0.11142 -0.00001 0.23889 35 2PZ -0.05253 -0.01233 -0.00001 0.01881 0.00003 36 3S -0.04482 0.01623 0.00000 0.26751 0.00002 37 3PX 0.03406 -0.01232 0.00001 -0.04387 -0.00006 38 3PY -0.00001 0.00001 -0.17665 -0.00003 0.61372 39 3PZ 0.02466 0.01999 0.00000 0.07388 0.00007 40 4XX 0.01672 -0.00258 0.00000 -0.00503 0.00000 41 4YY -0.00645 0.00085 0.00000 -0.00201 0.00000 42 4ZZ -0.00610 -0.00135 0.00000 -0.00246 0.00000 43 4XY 0.00000 0.00000 0.01134 0.00000 -0.01855 44 4XZ 0.01481 -0.00080 0.00000 0.00336 0.00000 45 4YZ 0.00000 0.00000 0.00442 0.00000 0.00614 46 4 O 1S -0.00442 -0.00330 0.01724 0.00686 -0.04751 47 2S 0.00535 0.00138 -0.03496 -0.00026 0.08543 48 2PX 0.15716 -0.03346 -0.06698 -0.00119 -0.01754 49 2PY -0.01654 0.00730 -0.04076 -0.00029 0.07657 50 2PZ 0.22762 -0.08490 -0.07228 0.02207 0.01642 51 3S 0.01799 0.05575 -0.11880 -0.09213 0.47771 52 3PX 0.13747 -0.02800 -0.04515 -0.01875 -0.09595 53 3PY -0.02176 0.02279 -0.03194 0.02890 0.13531 54 3PZ 0.18729 -0.09188 -0.10366 0.03329 0.01804 55 4XX -0.00401 0.00161 0.01856 0.00836 -0.02608 56 4YY -0.00254 -0.00199 0.00010 0.00586 -0.00080 57 4ZZ -0.00013 -0.00502 -0.00519 0.00616 -0.01172 58 4XY 0.00710 0.00057 -0.00178 -0.00426 -0.00240 59 4XZ 0.00123 0.00053 -0.00292 -0.00252 0.00577 60 4YZ 0.00379 0.00122 -0.00134 0.00270 -0.00049 61 5 H 1S 0.02329 0.03620 -0.06704 -0.00914 0.03291 62 2S 0.06028 0.08358 -0.30327 -0.61198 0.55380 63 6 H 1S 0.02333 0.03618 0.06705 -0.00914 -0.03293 64 2S 0.06034 0.08352 0.30329 -0.61194 -0.55403 65 7 H 1S 0.10158 -0.00931 0.00000 -0.00454 0.00001 66 2S 0.20300 -0.04205 0.00000 -0.11448 -0.00001 67 8 O 1S -0.00443 -0.00330 -0.01724 0.00686 0.04748 68 2S 0.00536 0.00138 0.03496 -0.00025 -0.08539 69 2PX 0.15722 -0.03347 0.06698 -0.00118 0.01762 70 2PY 0.01651 -0.00729 -0.04076 0.00028 0.07653 71 2PZ 0.22770 -0.08493 0.07225 0.02208 -0.01646 72 3S 0.01803 0.05574 0.11883 -0.09207 -0.47739 73 3PX 0.13752 -0.02801 0.04515 -0.01875 0.09608 74 3PY 0.02173 -0.02277 -0.03195 -0.02892 0.13521 75 3PZ 0.18735 -0.09191 0.10363 0.03329 -0.01812 76 4XX -0.00402 0.00161 -0.01856 0.00835 0.02608 77 4YY -0.00253 -0.00198 -0.00010 0.00586 0.00079 78 4ZZ -0.00013 -0.00502 0.00519 0.00616 0.01171 79 4XY -0.00711 -0.00057 -0.00178 0.00426 -0.00240 80 4XZ 0.00123 0.00053 0.00292 -0.00252 -0.00578 81 4YZ -0.00379 -0.00122 -0.00134 -0.00270 -0.00049 82 9 H 1S -0.06861 0.00371 0.00000 -0.01650 0.00000 83 2S -0.08054 0.00143 0.00000 -0.25706 -0.00005 84 10 C 1S -0.00219 -0.00427 0.00497 -0.02227 0.02042 85 2S 0.00139 0.01118 -0.00502 0.05015 -0.04523 86 2PX -0.15085 -0.16800 -0.23526 -0.01646 -0.20729 87 2PY -0.02629 -0.03584 -0.00129 0.02030 0.01419 88 2PZ -0.07713 -0.06512 -0.11315 0.04496 -0.08043 89 3S -0.00288 0.03433 -0.02700 0.19021 -0.19014 90 3PX -0.13432 -0.22123 -0.30290 -0.07389 -0.33367 91 3PY -0.02418 -0.01851 -0.05340 0.04063 -0.07065 92 3PZ -0.07256 -0.08802 -0.15225 0.11425 -0.19121 93 4XX 0.00036 0.00748 -0.00040 -0.00271 0.00383 94 4YY 0.00005 0.00489 0.00188 0.00452 0.00762 95 4ZZ -0.00357 -0.01288 0.00098 -0.00463 -0.00879 96 4XY 0.00617 0.01706 -0.01283 0.00414 -0.00698 97 4XZ -0.00249 -0.01012 -0.00094 0.00252 -0.00479 98 4YZ 0.00166 0.00152 -0.00534 -0.00837 -0.00501 99 11 C 1S -0.00527 0.02783 -0.01040 -0.02659 0.00913 100 2S 0.01904 -0.04872 0.04251 0.04839 -0.02013 101 2PX 0.04891 0.29131 -0.02490 0.03290 0.17702 102 2PY 0.00442 0.09084 -0.01667 0.08388 0.07813 103 2PZ 0.01305 0.17755 0.00086 0.01121 0.12586 104 3S -0.02437 -0.21197 -0.03634 0.33485 -0.05958 105 3PX 0.02179 0.37343 -0.04541 0.01894 0.16838 106 3PY 0.02783 0.10330 -0.00024 0.14690 0.16204 107 3PZ 0.03417 0.21156 0.02562 0.06731 0.27878 108 4XX -0.00180 0.00834 -0.00239 -0.00052 0.01077 109 4YY 0.00211 0.00243 0.00417 -0.00943 -0.00296 110 4ZZ -0.00324 -0.00201 -0.00512 0.00484 -0.00554 111 4XY -0.00074 0.00666 0.00009 0.00460 0.00762 112 4XZ -0.01064 -0.00181 -0.02051 -0.00521 -0.01015 113 4YZ -0.00187 0.00214 -0.00100 0.00181 0.00537 114 12 C 1S -0.01253 -0.00843 -0.01423 -0.05479 -0.02468 115 2S 0.02810 0.02007 0.02700 0.07344 0.02678 116 2PX -0.04464 -0.00878 -0.03098 0.02566 -0.01206 117 2PY 0.00138 -0.02694 0.02454 0.06470 0.06935 118 2PZ 0.02159 0.03615 0.04196 -0.12765 -0.00597 119 3S 0.08930 0.04309 0.14079 0.81087 0.42657 120 3PX -0.00910 -0.01204 -0.00958 0.07736 0.03844 121 3PY 0.02201 -0.01269 0.05870 0.21438 0.15333 122 3PZ 0.02239 0.05436 0.04670 -0.32514 -0.01138 123 4XX -0.00536 -0.01872 -0.00159 -0.00644 -0.01585 124 4YY 0.00279 0.00610 0.00038 0.00135 0.00291 125 4ZZ 0.00249 0.01172 -0.00114 -0.00734 0.00782 126 4XY -0.00045 0.00090 -0.00141 -0.00219 0.00004 127 4XZ -0.00228 0.00405 -0.00232 -0.00375 0.00003 128 4YZ 0.00074 0.00588 0.00174 0.00940 0.00333 129 13 C 1S -0.01253 -0.00843 0.01423 -0.05479 0.02470 130 2S 0.02810 0.02008 -0.02700 0.07344 -0.02681 131 2PX -0.04459 -0.00880 0.03098 0.02567 0.01193 132 2PY -0.00138 0.02692 0.02456 -0.06470 0.06937 133 2PZ 0.02162 0.03616 -0.04194 -0.12764 0.00593 134 3S 0.08936 0.04310 -0.14078 0.81083 -0.42697 135 3PX -0.00909 -0.01207 0.00957 0.07747 -0.03882 136 3PY -0.02200 0.01263 0.05871 -0.21437 0.15347 137 3PZ 0.02240 0.05436 -0.04668 -0.32515 0.01127 138 4XX -0.00535 -0.01872 0.00159 -0.00644 0.01586 139 4YY 0.00279 0.00610 -0.00038 0.00135 -0.00291 140 4ZZ 0.00248 0.01172 0.00115 -0.00734 -0.00782 141 4XY 0.00045 -0.00090 -0.00141 0.00219 0.00003 142 4XZ -0.00228 0.00405 0.00232 -0.00375 -0.00002 143 4YZ -0.00074 -0.00588 0.00174 -0.00940 0.00333 144 14 C 1S -0.00527 0.02784 0.01041 -0.02659 -0.00914 145 2S 0.01906 -0.04872 -0.04253 0.04839 0.02014 146 2PX 0.04874 0.29130 0.02497 0.03293 -0.17702 147 2PY -0.00437 -0.09085 -0.01669 -0.08390 0.07809 148 2PZ 0.01295 0.17753 -0.00083 0.01121 -0.12583 149 3S -0.02434 -0.21200 0.03629 0.33489 0.05972 150 3PX 0.02165 0.37342 0.04551 0.01900 -0.16830 151 3PY -0.02782 -0.10330 -0.00025 -0.14692 0.16188 152 3PZ 0.03410 0.21156 -0.02556 0.06731 -0.27872 153 4XX -0.00179 0.00834 0.00239 -0.00052 -0.01077 154 4YY 0.00211 0.00244 -0.00417 -0.00943 0.00295 155 4ZZ -0.00325 -0.00201 0.00511 0.00484 0.00555 156 4XY 0.00074 -0.00666 0.00008 -0.00460 0.00761 157 4XZ -0.01064 -0.00182 0.02051 -0.00521 0.01015 158 4YZ 0.00187 -0.00214 -0.00101 -0.00182 0.00536 159 15 C 1S -0.00218 -0.00427 -0.00497 -0.02226 -0.02044 160 2S 0.00138 0.01118 0.00502 0.05014 0.04527 161 2PX -0.15098 -0.16805 0.23522 -0.01650 0.20723 162 2PY 0.02632 0.03585 -0.00129 -0.02030 0.01417 163 2PZ -0.07715 -0.06514 0.11314 0.04495 0.08047 164 3S -0.00286 0.03431 0.02700 0.19015 0.19043 165 3PX -0.13441 -0.22130 0.30286 -0.07394 0.33358 166 3PY 0.02423 0.01852 -0.05340 -0.04065 -0.07075 167 3PZ -0.07259 -0.08803 0.15222 0.11423 0.19127 168 4XX 0.00036 0.00748 0.00040 -0.00270 -0.00383 169 4YY 0.00005 0.00489 -0.00188 0.00452 -0.00761 170 4ZZ -0.00356 -0.01288 -0.00099 -0.00463 0.00878 171 4XY -0.00616 -0.01705 -0.01283 -0.00414 -0.00698 172 4XZ -0.00249 -0.01013 0.00094 0.00252 0.00479 173 4YZ -0.00166 -0.00152 -0.00534 0.00837 -0.00501 174 16 H 1S -0.00754 -0.01416 0.01208 -0.03186 0.00847 175 2S 0.00220 -0.06324 0.04536 -0.35481 0.11088 176 17 H 1S 0.01005 0.01404 0.01526 -0.03105 -0.01495 177 2S 0.00752 0.06145 0.01900 -0.43941 -0.14719 178 18 H 1S 0.00771 0.02716 -0.00748 -0.03821 0.02883 179 2S -0.00161 0.12745 -0.03824 -0.80721 -0.15985 180 19 H 1S 0.00766 0.02715 0.00749 -0.03820 -0.02886 181 2S -0.00168 0.12741 0.03828 -0.80721 0.15976 182 20 H 1S 0.01004 0.01405 -0.01526 -0.03105 0.01494 183 2S 0.00749 0.06147 -0.01898 -0.43943 0.14691 184 21 H 1S -0.00752 -0.01416 -0.01209 -0.03186 -0.00849 185 2S 0.00223 -0.06324 -0.04537 -0.35479 -0.11125 186 22 H 1S -0.02472 -0.05664 -0.00838 -0.01520 -0.06044 187 2S -0.07230 -0.17610 -0.08804 -0.38035 -0.35267 188 23 H 1S -0.02466 -0.05664 0.00837 -0.01521 0.06049 189 2S -0.07223 -0.17612 0.08799 -0.38037 0.35338 46 47 48 49 50 V V V V V Eigenvalues -- 0.11268 0.11965 0.13058 0.13383 0.14567 1 1 C 1S 0.01700 -0.01316 -0.02090 -0.03534 -0.01291 2 2S -0.05185 -0.00330 0.05862 0.04741 0.00551 3 2PX 0.07320 0.07869 -0.02212 -0.07288 0.23356 4 2PY -0.01143 -0.06190 -0.03946 -0.01374 0.04605 5 2PZ -0.13404 -0.06385 -0.05420 -0.17418 0.03257 6 3S -0.07508 0.37139 0.28501 0.59101 0.34568 7 3PX 0.28637 0.09068 0.03603 0.03193 0.45476 8 3PY 0.05783 -0.19983 -0.14683 -0.06467 0.27755 9 3PZ -0.28785 -0.14005 -0.10128 -0.54851 -0.03767 10 4XX 0.00935 0.00469 -0.00385 -0.00530 -0.00113 11 4YY -0.01160 -0.00397 0.00450 -0.00683 -0.00836 12 4ZZ -0.00143 -0.00129 -0.00116 0.00195 -0.00141 13 4XY 0.01160 0.00848 0.00100 0.00189 -0.01042 14 4XZ -0.01183 -0.00135 0.00165 0.00686 -0.00628 15 4YZ -0.01586 -0.00298 -0.00351 0.00923 0.00109 16 2 C 1S 0.01704 -0.01317 -0.02094 0.03532 0.01291 17 2S -0.05193 -0.00328 0.05868 -0.04736 -0.00551 18 2PX 0.07318 0.07867 -0.02222 0.07287 -0.23358 19 2PY 0.01137 0.06193 0.03950 -0.01371 0.04604 20 2PZ -0.13409 -0.06387 -0.05436 0.17409 -0.03253 21 3S -0.07537 0.37155 0.28562 -0.59069 -0.34572 22 3PX 0.28628 0.09070 0.03603 -0.03185 -0.45483 23 3PY -0.05798 0.19991 0.14695 -0.06455 0.27750 24 3PZ -0.28779 -0.14013 -0.10180 0.54833 0.03778 25 4XX 0.00936 0.00469 -0.00385 0.00530 0.00113 26 4YY -0.01160 -0.00397 0.00449 0.00683 0.00836 27 4ZZ -0.00143 -0.00129 -0.00116 -0.00195 0.00141 28 4XY -0.01160 -0.00848 -0.00101 0.00189 -0.01042 29 4XZ -0.01184 -0.00135 0.00166 -0.00687 0.00628 30 4YZ 0.01586 0.00298 0.00351 0.00923 0.00109 31 3 C 1S -0.00316 0.05427 -0.10123 -0.00005 0.00001 32 2S 0.00896 -0.08098 0.16327 0.00008 -0.00001 33 2PX -0.02711 0.21285 -0.19169 -0.00009 0.00000 34 2PY -0.00010 0.00003 -0.00001 0.06782 0.30594 35 2PZ 0.00868 -0.11624 0.03260 0.00000 0.00004 36 3S 0.06201 -0.97838 1.52609 0.00071 -0.00009 37 3PX -0.06518 0.63863 -0.48907 -0.00022 0.00000 38 3PY -0.00025 0.00008 0.00000 0.13620 0.81914 39 3PZ 0.00317 -0.33961 0.10246 0.00001 0.00009 40 4XX 0.00533 0.00214 -0.00665 0.00000 0.00000 41 4YY -0.00963 -0.00043 -0.00381 0.00000 0.00000 42 4ZZ 0.00111 0.01277 -0.01111 0.00000 0.00000 43 4XY 0.00001 0.00000 0.00000 -0.00363 -0.01786 44 4XZ -0.00215 0.00488 -0.00182 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 -0.00547 0.01540 46 4 O 1S -0.03291 0.00748 0.00926 -0.00799 -0.05794 47 2S 0.05654 -0.01015 0.00261 0.00241 0.07430 48 2PX 0.12576 0.01541 0.02866 -0.00985 -0.13116 49 2PY 0.04959 -0.00426 -0.01262 -0.00671 0.06194 50 2PZ -0.06871 -0.01379 0.01906 0.07478 -0.03522 51 3S 0.38798 -0.12534 -0.13518 0.15730 0.76437 52 3PX 0.19664 -0.02364 0.07918 0.00793 -0.18151 53 3PY 0.11227 -0.04961 -0.01412 0.04134 0.18702 54 3PZ -0.12237 0.03476 0.01689 0.09065 -0.05694 55 4XX -0.01110 -0.00457 0.01304 -0.00730 -0.02296 56 4YY -0.00518 -0.00069 0.00834 -0.00478 -0.01415 57 4ZZ -0.00699 0.00600 0.00611 0.00120 -0.02700 58 4XY 0.00013 -0.00287 -0.00520 0.00270 -0.00141 59 4XZ -0.00288 0.00842 -0.00776 -0.00386 0.00705 60 4YZ -0.00217 0.00110 -0.00023 -0.00053 -0.00258 61 5 H 1S -0.03779 -0.02221 -0.01706 -0.00600 0.02942 62 2S -0.34378 -0.46921 -0.37473 -0.74661 -0.07270 63 6 H 1S -0.03776 -0.02222 -0.01708 0.00598 -0.02941 64 2S -0.34341 -0.46941 -0.37551 0.74609 0.07286 65 7 H 1S 0.01689 0.04024 -0.03995 -0.00002 0.00000 66 2S -0.05524 0.79016 -1.13744 -0.00056 0.00010 67 8 O 1S -0.03295 0.00749 0.00927 0.00800 0.05794 68 2S 0.05661 -0.01016 0.00259 -0.00240 -0.07431 69 2PX 0.12574 0.01542 0.02866 0.00990 0.13112 70 2PY -0.04964 0.00428 0.01264 -0.00670 0.06192 71 2PZ -0.06870 -0.01378 0.01914 -0.07477 0.03523 72 3S 0.38837 -0.12542 -0.13516 -0.15739 -0.76439 73 3PX 0.19656 -0.02362 0.07922 -0.00782 0.18145 74 3PY -0.11237 0.04963 0.01412 0.04135 0.18701 75 3PZ -0.12236 0.03478 0.01699 -0.09063 0.05696 76 4XX -0.01112 -0.00457 0.01304 0.00731 0.02296 77 4YY -0.00518 -0.00069 0.00834 0.00478 0.01415 78 4ZZ -0.00700 0.00600 0.00611 -0.00119 0.02700 79 4XY -0.00013 0.00287 0.00520 0.00271 -0.00141 80 4XZ -0.00288 0.00842 -0.00777 0.00385 -0.00705 81 4YZ 0.00217 -0.00110 0.00023 -0.00053 -0.00259 82 9 H 1S 0.02151 0.03789 -0.05358 -0.00002 0.00000 83 2S -0.02159 1.01254 -0.97466 -0.00040 -0.00002 84 10 C 1S -0.01383 0.03206 0.02475 0.00697 0.00054 85 2S 0.02304 -0.05366 -0.02324 -0.00433 0.01582 86 2PX -0.05334 0.07398 0.01667 -0.10048 0.15145 87 2PY 0.00396 -0.07116 -0.06040 -0.03912 -0.03834 88 2PZ 0.02446 -0.10531 -0.09644 -0.08517 0.01522 89 3S 0.16822 -0.61257 -0.45485 -0.15596 -0.26817 90 3PX -0.08503 0.08289 0.08807 -0.10817 0.25755 91 3PY 0.04182 -0.22517 -0.11321 0.09483 0.05010 92 3PZ 0.04910 -0.22029 -0.18090 -0.22163 0.04475 93 4XX -0.00472 0.00251 0.00057 0.00572 0.00037 94 4YY 0.00298 -0.00255 0.00086 -0.00495 -0.00778 95 4ZZ -0.00338 0.00061 0.00590 0.00181 0.00591 96 4XY 0.00455 -0.00162 -0.00314 -0.00428 0.00404 97 4XZ -0.00051 -0.00226 -0.00385 -0.00438 0.00349 98 4YZ -0.00342 0.00883 0.01199 -0.00337 0.00295 99 11 C 1S 0.00073 0.01270 0.02933 0.03313 0.00926 100 2S -0.00704 -0.02568 -0.04275 -0.04903 -0.01062 101 2PX -0.00285 0.05739 0.02771 0.10627 -0.09216 102 2PY 0.03232 -0.05324 -0.09080 -0.11858 -0.12976 103 2PZ 0.02933 0.00671 0.00138 0.06319 -0.06821 104 3S 0.03734 -0.13497 -0.42085 -0.60999 -0.21405 105 3PX 0.10407 0.09745 0.04128 0.20854 -0.16327 106 3PY 0.12191 -0.17193 -0.28520 -0.36175 -0.41647 107 3PZ 0.08967 0.14258 0.09925 -0.05624 -0.06595 108 4XX -0.00616 -0.00254 -0.00029 0.01177 -0.00480 109 4YY 0.00152 0.00837 0.01058 -0.00097 0.00370 110 4ZZ 0.00386 -0.00194 -0.00336 -0.00412 0.00137 111 4XY 0.00610 0.00277 0.00005 0.00301 -0.01106 112 4XZ 0.00073 0.00457 0.00074 0.00075 0.00220 113 4YZ 0.00885 -0.00204 -0.00200 -0.00261 -0.00308 114 12 C 1S 0.03720 -0.00446 -0.00016 0.05304 -0.02586 115 2S -0.04923 -0.01088 -0.00889 -0.03705 0.04197 116 2PX -0.17727 -0.00089 -0.01684 -0.01344 -0.01040 117 2PY -0.03668 0.02102 0.01265 -0.02199 -0.05923 118 2PZ -0.04589 -0.09443 -0.03338 0.12570 -0.01918 119 3S -0.60875 0.20231 0.10668 -1.06616 0.28366 120 3PX -0.50181 -0.04400 -0.02172 -0.03297 0.03855 121 3PY -0.19718 0.09723 0.09890 0.15697 -0.09417 122 3PZ -0.14720 -0.25355 -0.09453 0.36933 -0.11250 123 4XX 0.01385 -0.00187 -0.00191 -0.00088 0.00496 124 4YY -0.00151 -0.00272 -0.00097 0.00549 -0.01001 125 4ZZ -0.00322 0.00172 0.00366 0.00710 -0.00089 126 4XY 0.01042 0.00389 0.00526 0.00117 -0.00028 127 4XZ 0.00728 -0.00488 -0.00346 0.00107 -0.00276 128 4YZ 0.00676 0.00113 -0.00426 0.00405 -0.00401 129 13 C 1S 0.03718 -0.00444 -0.00010 -0.05304 0.02586 130 2S -0.04921 -0.01089 -0.00894 0.03703 -0.04197 131 2PX -0.17728 -0.00087 -0.01684 0.01344 0.01038 132 2PY 0.03660 -0.02100 -0.01262 -0.02200 -0.05922 133 2PZ -0.04591 -0.09440 -0.03324 -0.12576 0.01918 134 3S -0.60854 0.20201 0.10555 1.06631 -0.28375 135 3PX -0.50176 -0.04391 -0.02171 0.03298 -0.03860 136 3PY 0.19696 -0.09723 -0.09902 0.15690 -0.09417 137 3PZ -0.14731 -0.25350 -0.09413 -0.36948 0.11248 138 4XX 0.01384 -0.00187 -0.00191 0.00088 -0.00496 139 4YY -0.00151 -0.00271 -0.00097 -0.00549 0.01002 140 4ZZ -0.00321 0.00171 0.00367 -0.00710 0.00089 141 4XY -0.01042 -0.00389 -0.00526 0.00117 -0.00028 142 4XZ 0.00729 -0.00488 -0.00346 -0.00107 0.00276 143 4YZ -0.00676 -0.00113 0.00426 0.00406 -0.00401 144 14 C 1S 0.00074 0.01270 0.02936 -0.03311 -0.00925 145 2S -0.00707 -0.02568 -0.04280 0.04900 0.01061 146 2PX -0.00272 0.05737 0.02780 -0.10623 0.09217 147 2PY -0.03239 0.05325 0.09091 -0.11848 -0.12977 148 2PZ 0.02943 0.00671 0.00145 -0.06322 0.06820 149 3S 0.03732 -0.13497 -0.42141 0.60967 0.21397 150 3PX 0.10423 0.09745 0.04144 -0.20846 0.16334 151 3PY -0.12199 0.17197 0.28551 -0.36150 -0.41644 152 3PZ 0.08986 0.14255 0.09921 0.05630 0.06586 153 4XX -0.00615 -0.00254 -0.00027 -0.01177 0.00480 154 4YY 0.00152 0.00837 0.01058 0.00098 -0.00370 155 4ZZ 0.00385 -0.00194 -0.00336 0.00411 -0.00137 156 4XY -0.00611 -0.00278 -0.00005 0.00301 -0.01106 157 4XZ 0.00072 0.00457 0.00074 -0.00075 -0.00220 158 4YZ -0.00886 0.00204 0.00200 -0.00260 -0.00308 159 15 C 1S -0.01382 0.03206 0.02476 -0.00694 -0.00055 160 2S 0.02301 -0.05365 -0.02325 0.00430 -0.01581 161 2PX -0.05350 0.07397 0.01658 0.10052 -0.15146 162 2PY -0.00399 0.07118 0.06045 -0.03905 -0.03837 163 2PZ 0.02439 -0.10530 -0.09651 0.08504 -0.01520 164 3S 0.16804 -0.61256 -0.45498 0.15535 0.26833 165 3PX -0.08530 0.08287 0.08798 0.10827 -0.25758 166 3PY -0.04182 0.22516 0.11316 0.09498 0.05003 167 3PZ 0.04898 -0.22022 -0.18110 0.22141 -0.04470 168 4XX -0.00471 0.00251 0.00057 -0.00572 -0.00037 169 4YY 0.00299 -0.00255 0.00086 0.00496 0.00778 170 4ZZ -0.00339 0.00061 0.00590 -0.00180 -0.00591 171 4XY -0.00455 0.00162 0.00314 -0.00428 0.00404 172 4XZ -0.00051 -0.00226 -0.00385 0.00437 -0.00349 173 4YZ 0.00342 -0.00883 -0.01199 -0.00338 0.00295 174 16 H 1S -0.01648 0.02477 0.05260 0.01459 -0.00739 175 2S -0.24871 0.75342 0.57815 0.20877 0.19649 176 17 H 1S 0.00517 0.02757 0.03575 -0.00925 0.03400 177 2S -0.10579 0.34538 0.59651 0.69756 0.59362 178 18 H 1S -0.03528 -0.01134 0.00884 0.01977 -0.00600 179 2S -0.07440 -0.38639 -0.13341 0.74418 -0.17925 180 19 H 1S -0.03526 -0.01134 0.00886 -0.01976 0.00599 181 2S -0.07453 -0.38622 -0.13258 -0.74442 0.17925 182 20 H 1S 0.00516 0.02757 0.03574 0.00929 -0.03400 183 2S -0.10587 0.34544 0.59713 -0.69702 -0.59357 184 21 H 1S -0.01648 0.02477 0.05261 -0.01453 0.00738 185 2S -0.24866 0.75337 0.57836 -0.20801 -0.19667 186 22 H 1S 0.07124 0.00058 -0.00345 -0.00931 0.01438 187 2S 1.01697 0.05255 0.03052 0.22170 -0.01428 188 23 H 1S 0.07119 0.00059 -0.00345 0.00930 -0.01437 189 2S 1.01671 0.05259 0.03074 -0.22168 0.01438 51 52 53 54 55 V V V V V Eigenvalues -- 0.15450 0.16965 0.17165 0.17519 0.18002 1 1 C 1S -0.02120 0.02740 0.02073 -0.01732 0.04300 2 2S 0.02515 -0.04256 -0.03566 0.03956 -0.05435 3 2PX -0.12081 -0.09872 0.00917 -0.09303 0.01688 4 2PY -0.00868 -0.01003 0.05547 -0.04547 0.10253 5 2PZ 0.16114 0.05956 0.03303 0.09170 0.04328 6 3S 0.21093 -0.33518 -0.28822 0.16545 -0.81952 7 3PX -0.35940 -0.27941 0.01181 -0.20660 0.05424 8 3PY -0.10542 0.11296 0.09449 -0.06271 0.41610 9 3PZ 0.38977 0.26568 0.08952 0.18698 0.11578 10 4XX -0.00626 0.00131 0.00263 -0.00338 0.00194 11 4YY 0.00762 0.01122 0.00106 0.00394 -0.00580 12 4ZZ -0.00235 0.00077 0.00288 0.00047 0.00628 13 4XY -0.00771 0.00446 -0.00420 -0.01254 0.00309 14 4XZ 0.01025 0.00107 -0.00210 0.00986 -0.01423 15 4YZ 0.02215 -0.00518 -0.00050 0.01222 0.00690 16 2 C 1S -0.02120 -0.02741 0.02073 -0.01731 0.04298 17 2S 0.02515 0.04257 -0.03567 0.03955 -0.05433 18 2PX -0.12078 0.09870 0.00911 -0.09306 0.01689 19 2PY 0.00865 -0.01001 -0.05547 0.04546 -0.10253 20 2PZ 0.16115 -0.05954 0.03303 0.09171 0.04320 21 3S 0.21096 0.33532 -0.28828 0.16535 -0.81919 22 3PX -0.35935 0.27935 0.01169 -0.20668 0.05436 23 3PY 0.10532 0.11308 -0.09454 0.06267 -0.41609 24 3PZ 0.38980 -0.26560 0.08957 0.18703 0.11549 25 4XX -0.00626 -0.00131 0.00263 -0.00338 0.00194 26 4YY 0.00762 -0.01122 0.00107 0.00394 -0.00580 27 4ZZ -0.00235 -0.00077 0.00288 0.00047 0.00628 28 4XY 0.00771 0.00447 0.00419 0.01254 -0.00309 29 4XZ 0.01025 -0.00107 -0.00210 0.00986 -0.01423 30 4YZ -0.02215 -0.00518 0.00050 -0.01221 -0.00690 31 3 C 1S 0.00448 -0.00002 -0.00740 -0.00631 0.07047 32 2S -0.01556 0.00002 0.00239 -0.00616 -0.10513 33 2PX 0.07326 0.00000 -0.12420 -0.12105 -0.19811 34 2PY -0.00003 -0.17785 0.00006 0.00002 -0.00005 35 2PZ 0.13027 -0.00013 -0.41318 -0.16564 0.12596 36 3S -0.06046 0.00020 0.09686 0.12802 -0.79486 37 3PX 0.17862 0.00003 -0.28609 -0.24434 -0.66012 38 3PY -0.00008 -0.51178 0.00018 0.00007 -0.00014 39 3PZ 0.35666 -0.00037 -1.09103 -0.39832 0.46962 40 4XX -0.00247 0.00000 -0.00338 -0.00690 0.01579 41 4YY 0.00944 0.00000 -0.00478 0.00669 0.00932 42 4ZZ -0.00309 0.00000 0.00818 -0.00364 -0.01766 43 4XY 0.00000 0.01324 0.00000 0.00000 0.00000 44 4XZ 0.00537 0.00000 -0.00771 -0.00050 -0.01195 45 4YZ 0.00000 -0.00807 0.00000 0.00000 0.00000 46 4 O 1S 0.04130 0.02957 0.00049 0.02127 -0.06014 47 2S -0.06297 -0.02369 -0.00527 -0.03268 0.07901 48 2PX -0.14668 0.09038 0.05074 -0.07108 -0.00158 49 2PY -0.05487 -0.04951 -0.02082 -0.03340 0.15638 50 2PZ 0.06710 -0.00660 0.04654 0.10614 -0.04969 51 3S -0.52621 -0.45479 -0.01289 -0.27125 0.82245 52 3PX -0.28356 0.11360 0.10732 -0.12228 0.00573 53 3PY -0.13710 -0.13208 -0.05265 -0.05431 0.33442 54 3PZ 0.11167 -0.02671 0.11803 0.18265 -0.11779 55 4XX 0.01229 0.01950 -0.00117 0.01186 -0.02083 56 4YY 0.00954 0.01027 0.00075 0.00215 -0.01447 57 4ZZ 0.01410 0.01685 -0.00637 0.00637 -0.02862 58 4XY 0.00208 0.00138 -0.00254 0.00072 0.01102 59 4XZ 0.00268 -0.00320 0.00602 -0.00124 -0.00633 60 4YZ 0.00644 0.00312 -0.00907 -0.00286 -0.00411 61 5 H 1S 0.04301 0.00061 0.02147 0.03365 0.07034 62 2S 0.40012 0.48704 0.35891 0.12571 0.82446 63 6 H 1S 0.04302 -0.00062 0.02147 0.03365 0.07033 64 2S 0.40016 -0.48707 0.35904 0.12582 0.82408 65 7 H 1S -0.00238 -0.00002 -0.04747 -0.03541 0.00267 66 2S 0.48085 -0.00038 -1.27586 -0.69228 0.15276 67 8 O 1S 0.04129 -0.02954 0.00050 0.02128 -0.06015 68 2S -0.06296 0.02365 -0.00528 -0.03268 0.07901 69 2PX -0.14670 -0.09038 0.05078 -0.07106 -0.00160 70 2PY 0.05485 -0.04944 0.02084 0.03339 -0.15639 71 2PZ 0.06710 0.00665 0.04655 0.10615 -0.04969 72 3S -0.52609 0.45444 -0.01312 -0.27134 0.82266 73 3PX -0.28360 -0.11358 0.10738 -0.12226 0.00571 74 3PY 0.13705 -0.13192 0.05271 0.05431 -0.33446 75 3PZ 0.11168 0.02682 0.11804 0.18265 -0.11779 76 4XX 0.01229 -0.01949 -0.00116 0.01187 -0.02084 77 4YY 0.00954 -0.01027 0.00075 0.00215 -0.01448 78 4ZZ 0.01409 -0.01684 -0.00636 0.00637 -0.02862 79 4XY -0.00208 0.00139 0.00254 -0.00072 -0.01102 80 4XZ 0.00268 0.00320 0.00602 -0.00124 -0.00633 81 4YZ -0.00644 0.00312 0.00907 0.00286 0.00411 82 9 H 1S -0.04092 0.00001 0.06371 -0.01907 -0.02198 83 2S -0.43830 0.00034 1.33740 0.40750 -0.24677 84 10 C 1S -0.01638 0.04664 -0.02163 0.03045 0.01231 85 2S 0.01240 -0.06373 0.03367 -0.05119 0.02410 86 2PX -0.00408 0.02737 0.01577 -0.00052 0.03379 87 2PY 0.03525 -0.05577 0.03167 -0.05934 -0.03639 88 2PZ 0.00912 -0.08513 0.00798 -0.01685 -0.08871 89 3S 0.32960 -0.90862 0.32149 -0.52040 -0.33691 90 3PX -0.03713 0.13774 0.00775 -0.02153 0.08926 91 3PY 0.18544 -0.00768 0.13091 -0.27133 -0.13039 92 3PZ 0.03144 -0.32731 -0.01882 -0.02338 -0.14678 93 4XX 0.00118 0.00187 -0.00199 0.00391 -0.00258 94 4YY 0.00075 -0.00015 0.00344 -0.00457 0.00514 95 4ZZ -0.00531 0.00328 -0.00518 0.00216 0.00789 96 4XY 0.00299 0.00103 -0.00293 0.00875 -0.00001 97 4XZ 0.00500 -0.00126 0.00382 -0.00320 -0.00111 98 4YZ 0.00219 -0.00103 -0.00154 -0.00329 0.00656 99 11 C 1S 0.03875 0.02863 0.04010 -0.07659 -0.01476 100 2S -0.06678 -0.02467 -0.04731 0.08634 0.03578 101 2PX 0.03503 0.03413 -0.03616 0.11279 0.00569 102 2PY -0.03049 -0.14311 -0.00842 0.06739 0.00098 103 2PZ 0.03284 0.05725 0.03560 -0.03705 -0.02026 104 3S -0.55901 -0.61038 -0.70111 1.35306 0.17862 105 3PX 0.14156 0.00667 -0.14210 0.28882 0.01982 106 3PY -0.20841 -0.38631 0.01360 0.23097 0.04151 107 3PZ 0.02795 0.27387 0.09444 -0.10216 -0.03393 108 4XX 0.00245 0.00113 0.00289 -0.00415 -0.01038 109 4YY -0.00340 0.00825 -0.00323 -0.00280 0.00552 110 4ZZ 0.00726 -0.00251 0.00818 -0.00837 0.00292 111 4XY 0.00531 -0.00537 0.00067 0.00396 0.00650 112 4XZ -0.00003 0.00373 -0.00169 0.00431 -0.00254 113 4YZ 0.00441 0.00873 0.00159 -0.00135 -0.00439 114 12 C 1S -0.01073 -0.05986 -0.03678 0.05103 -0.02086 115 2S 0.02905 0.06971 0.04092 -0.04432 0.02059 116 2PX -0.16778 0.00199 -0.04063 -0.02762 0.05110 117 2PY -0.01195 -0.10932 0.04032 -0.07652 0.03204 118 2PZ -0.10788 -0.02450 -0.01909 -0.08720 -0.11747 119 3S 0.06433 0.95770 0.64266 -0.93510 0.43643 120 3PX -0.38124 -0.03165 -0.19219 0.05687 0.02928 121 3PY 0.08436 -0.26322 0.22634 -0.37260 0.11588 122 3PZ -0.28504 -0.12399 0.02781 -0.31544 -0.33894 123 4XX -0.00287 0.00091 -0.00004 0.00075 0.00761 124 4YY 0.00658 -0.01881 0.00261 -0.00025 -0.00021 125 4ZZ -0.00428 0.00748 -0.00907 0.01053 -0.01174 126 4XY 0.00818 0.00199 0.00511 -0.00843 -0.00144 127 4XZ 0.00306 -0.00184 0.00618 -0.00951 -0.00332 128 4YZ 0.00235 -0.00192 -0.00156 0.01453 0.00899 129 13 C 1S -0.01075 0.05986 -0.03681 0.05103 -0.02086 130 2S 0.02907 -0.06971 0.04096 -0.04431 0.02058 131 2PX -0.16777 -0.00202 -0.04063 -0.02763 0.05112 132 2PY 0.01195 -0.10932 -0.04026 0.07653 -0.03208 133 2PZ -0.10791 0.02450 -0.01912 -0.08719 -0.11749 134 3S 0.06459 -0.95769 0.64317 -0.93509 0.43633 135 3PX -0.38115 0.03159 -0.19221 0.05685 0.02939 136 3PY -0.08432 -0.26323 -0.22622 0.37259 -0.11599 137 3PZ -0.28518 0.12406 0.02767 -0.31541 -0.33901 138 4XX -0.00287 -0.00092 -0.00004 0.00075 0.00760 139 4YY 0.00658 0.01881 0.00259 -0.00025 -0.00021 140 4ZZ -0.00428 -0.00748 -0.00907 0.01053 -0.01175 141 4XY -0.00818 0.00199 -0.00511 0.00843 0.00144 142 4XZ 0.00306 0.00185 0.00618 -0.00951 -0.00331 143 4YZ -0.00235 -0.00191 0.00156 -0.01453 -0.00899 144 14 C 1S 0.03875 -0.02862 0.04012 -0.07658 -0.01476 145 2S -0.06678 0.02466 -0.04732 0.08632 0.03576 146 2PX 0.03500 -0.03413 -0.03614 0.11282 0.00569 147 2PY 0.03048 -0.14311 0.00847 -0.06734 -0.00103 148 2PZ 0.03284 -0.05726 0.03563 -0.03704 -0.02025 149 3S -0.55897 0.61025 -0.70139 1.35290 0.17875 150 3PX 0.14147 -0.00668 -0.14211 0.28889 0.01986 151 3PY 0.20846 -0.38633 -0.01345 -0.23084 -0.04155 152 3PZ 0.02800 -0.27391 0.09455 -0.10211 -0.03402 153 4XX 0.00245 -0.00113 0.00289 -0.00415 -0.01038 154 4YY -0.00340 -0.00826 -0.00322 -0.00280 0.00551 155 4ZZ 0.00726 0.00251 0.00818 -0.00837 0.00292 156 4XY -0.00531 -0.00537 -0.00067 -0.00396 -0.00650 157 4XZ -0.00004 -0.00373 -0.00169 0.00430 -0.00254 158 4YZ -0.00441 0.00873 -0.00160 0.00135 0.00440 159 15 C 1S -0.01638 -0.04665 -0.02161 0.03046 0.01228 160 2S 0.01240 0.06373 0.03364 -0.05120 0.02413 161 2PX -0.00405 -0.02737 0.01578 -0.00053 0.03376 162 2PY -0.03525 -0.05580 -0.03165 0.05935 0.03637 163 2PZ 0.00913 0.08516 0.00794 -0.01687 -0.08868 164 3S 0.32950 0.90880 0.32110 -0.52057 -0.33658 165 3PX -0.03706 -0.13776 0.00781 -0.02155 0.08915 166 3PY -0.18547 -0.00779 -0.13093 0.27132 0.13035 167 3PZ 0.03146 0.32734 -0.01896 -0.02340 -0.14661 168 4XX 0.00118 -0.00186 -0.00199 0.00391 -0.00258 169 4YY 0.00075 0.00015 0.00344 -0.00457 0.00514 170 4ZZ -0.00531 -0.00328 -0.00518 0.00216 0.00789 171 4XY -0.00299 0.00103 0.00293 -0.00875 0.00001 172 4XZ 0.00500 0.00127 0.00382 -0.00320 -0.00111 173 4YZ -0.00219 -0.00103 0.00155 0.00329 -0.00656 174 16 H 1S -0.01827 0.02214 -0.02947 0.00960 0.03453 175 2S -0.27524 0.76872 -0.23435 0.42947 0.44792 176 17 H 1S -0.00681 0.05584 -0.00741 -0.03199 0.01185 177 2S 0.46488 0.83272 0.25595 -0.79436 -0.11457 178 18 H 1S -0.02560 0.01225 -0.01916 -0.01215 -0.06972 179 2S -0.58074 -0.31297 -0.39276 0.08080 -0.69643 180 19 H 1S -0.02560 -0.01223 -0.01916 -0.01215 -0.06974 181 2S -0.58088 0.31306 -0.39296 0.08076 -0.69653 182 20 H 1S -0.00681 -0.05585 -0.00738 -0.03198 0.01183 183 2S 0.46491 -0.83275 0.25633 -0.79415 -0.11474 184 21 H 1S -0.01828 -0.02216 -0.02946 0.00961 0.03452 185 2S -0.27524 -0.76891 -0.23406 0.42959 0.44755 186 22 H 1S 0.02812 -0.00542 0.02549 -0.01991 0.02740 187 2S 0.59853 -0.20440 -0.04698 0.47490 -0.12250 188 23 H 1S 0.02812 0.00542 0.02549 -0.01991 0.02740 189 2S 0.59846 0.20448 -0.04706 0.47491 -0.12254 56 57 58 59 60 V V V V V Eigenvalues -- 0.19723 0.20300 0.21251 0.24290 0.24319 1 1 C 1S -0.05191 0.00385 0.04856 0.01475 0.01215 2 2S 0.07145 -0.03030 -0.09898 -0.03112 -0.03562 3 2PX -0.05301 -0.04202 0.06705 0.04131 0.02984 4 2PY -0.01395 0.02035 0.14944 0.03571 0.03126 5 2PZ -0.14408 -0.00064 0.03281 -0.03396 0.03682 6 3S 0.84144 0.21167 -0.67246 -0.15625 -0.05582 7 3PX 0.08799 -0.06382 0.07674 -0.00534 0.09247 8 3PY -0.06117 0.31898 0.25521 0.04079 0.19874 9 3PZ -0.42813 0.03399 0.02939 -0.02911 0.11189 10 4XX -0.00322 0.00274 0.00243 0.00301 0.00195 11 4YY -0.01198 0.00214 0.00277 -0.00133 -0.00173 12 4ZZ -0.00083 -0.00234 0.00044 0.00118 -0.00062 13 4XY 0.00185 0.00137 0.01313 0.00719 0.00077 14 4XZ 0.00345 -0.00008 -0.00096 -0.00143 -0.00572 15 4YZ 0.00719 -0.00171 -0.00855 -0.00369 -0.00261 16 2 C 1S 0.05191 -0.00385 0.04855 0.01494 -0.01196 17 2S -0.07145 0.03030 -0.09896 -0.03165 0.03522 18 2PX 0.05300 0.04202 0.06703 0.04175 -0.02928 19 2PY -0.01397 0.02035 -0.14943 -0.03611 0.03080 20 2PZ 0.14408 0.00065 0.03278 -0.03339 -0.03729 21 3S -0.84147 -0.21174 -0.67242 -0.15754 0.05384 22 3PX -0.08801 0.06382 0.07672 -0.00416 -0.09251 23 3PY -0.06123 0.31895 -0.25514 -0.04329 0.19824 24 3PZ 0.42814 -0.03394 0.02927 -0.02732 -0.11228 25 4XX 0.00322 -0.00275 0.00243 0.00303 -0.00191 26 4YY 0.01198 -0.00214 0.00277 -0.00135 0.00171 27 4ZZ 0.00083 0.00234 0.00044 0.00117 0.00063 28 4XY 0.00185 0.00137 -0.01313 -0.00720 0.00068 29 4XZ -0.00345 0.00008 -0.00096 -0.00151 0.00570 30 4YZ 0.00719 -0.00171 0.00855 0.00373 -0.00256 31 3 C 1S 0.00001 0.00001 -0.11819 -0.00800 -0.00005 32 2S -0.00001 -0.00002 0.18985 0.02422 0.00016 33 2PX -0.00002 -0.00002 0.23621 0.03425 0.00022 34 2PY 0.02594 -0.03022 0.00000 0.00041 -0.05934 35 2PZ 0.00001 0.00000 0.00881 -0.04432 -0.00030 36 3S -0.00011 -0.00014 1.61133 0.09494 0.00058 37 3PX -0.00007 -0.00008 0.92941 0.05217 0.00033 38 3PY -0.01404 -0.21541 0.00004 0.00132 -0.20291 39 3PZ 0.00003 0.00000 -0.10532 -0.11784 -0.00079 40 4XX 0.00000 0.00000 -0.00113 0.00294 0.00002 41 4YY 0.00000 0.00000 -0.02811 -0.00801 -0.00005 42 4ZZ 0.00000 0.00000 0.02830 0.00730 0.00005 43 4XY 0.00036 0.00227 0.00000 -0.00003 0.00526 44 4XZ 0.00000 0.00000 0.01327 0.00178 0.00001 45 4YZ -0.00531 -0.00119 0.00000 -0.00001 0.00037 46 4 O 1S 0.00301 0.00577 0.03322 -0.00517 0.00176 47 2S -0.00955 -0.00168 -0.03136 0.02446 0.00501 48 2PX -0.00779 0.03862 0.16267 0.06640 0.05262 49 2PY -0.02378 -0.01748 -0.21560 -0.02121 -0.01319 50 2PZ 0.04721 -0.01212 -0.13279 -0.01025 -0.03869 51 3S -0.00448 -0.11732 -0.53483 0.00064 -0.04986 52 3PX 0.00147 0.06963 0.31830 0.08524 0.08221 53 3PY -0.00395 -0.06787 -0.47988 -0.03373 -0.04641 54 3PZ 0.07387 -0.01843 -0.23589 -0.02505 -0.07575 55 4XX -0.00325 0.00254 0.00765 -0.00207 0.00451 56 4YY -0.00283 -0.00025 0.01361 0.00675 0.00186 57 4ZZ 0.00685 0.00603 0.01906 0.00284 0.00114 58 4XY 0.00372 0.00213 -0.00368 -0.00088 0.00090 59 4XZ -0.00372 -0.00092 0.01160 0.00226 0.00077 60 4YZ -0.00212 -0.00105 0.00748 0.00186 -0.00035 61 5 H 1S -0.02919 0.00182 -0.02290 -0.00266 0.01252 62 2S -0.86404 0.15941 0.60044 0.08300 0.27191 63 6 H 1S 0.02920 -0.00181 -0.02291 -0.00247 -0.01256 64 2S 0.86412 -0.15932 0.60029 0.08708 -0.27092 65 7 H 1S 0.00000 0.00000 0.04472 0.00891 0.00006 66 2S 0.00001 0.00000 0.01723 -0.08209 -0.00054 67 8 O 1S -0.00302 -0.00578 0.03323 -0.00514 -0.00184 68 2S 0.00956 0.00169 -0.03137 0.02453 -0.00468 69 2PX 0.00777 -0.03863 0.16266 0.06710 -0.05174 70 2PY -0.02381 -0.01752 0.21562 0.02136 -0.01292 71 2PZ -0.04721 0.01212 -0.13276 -0.01079 0.03856 72 3S 0.00459 0.11748 -0.53488 -0.00004 0.04991 73 3PX -0.00151 -0.06965 0.31829 0.08628 -0.08107 74 3PY -0.00402 -0.06795 0.47992 0.03433 -0.04601 75 3PZ -0.07386 0.01843 -0.23583 -0.02607 0.07541 76 4XX 0.00325 -0.00254 0.00765 -0.00201 -0.00453 77 4YY 0.00282 0.00025 0.01361 0.00678 -0.00177 78 4ZZ -0.00685 -0.00603 0.01907 0.00285 -0.00110 79 4XY 0.00372 0.00213 0.00367 0.00087 0.00091 80 4XZ 0.00372 0.00092 0.01160 0.00227 -0.00074 81 4YZ -0.00211 -0.00105 -0.00748 -0.00185 -0.00037 82 9 H 1S 0.00000 0.00000 0.04826 0.02840 0.00019 83 2S 0.00001 0.00005 -0.49716 0.11703 0.00080 84 10 C 1S 0.01358 -0.08144 0.00854 -0.01346 -0.00891 85 2S -0.01511 0.15593 -0.01269 0.02831 0.01004 86 2PX 0.01892 -0.06568 0.04564 -0.04080 0.11688 87 2PY 0.02536 0.03853 -0.02355 0.10155 -0.06133 88 2PZ 0.03703 0.07641 -0.03237 0.09061 -0.09052 89 3S -0.07333 0.80292 -0.24610 0.49070 0.29681 90 3PX 0.09680 -0.45276 0.04781 -0.27441 0.33428 91 3PY 0.04506 0.40556 -0.14589 0.40798 -0.31346 92 3PZ 0.02021 0.68199 -0.06210 0.41207 -0.47771 93 4XX 0.00275 0.00136 0.00256 -0.00208 -0.00239 94 4YY 0.00810 -0.01527 -0.00033 -0.00928 -0.00681 95 4ZZ -0.00074 -0.00357 -0.00316 0.01505 0.00905 96 4XY 0.00094 -0.00451 0.00132 0.00566 0.00498 97 4XZ -0.00206 -0.00025 0.00112 -0.00852 0.00088 98 4YZ -0.00087 0.00605 -0.00086 0.00946 -0.00348 99 11 C 1S -0.00058 0.05802 -0.01864 -0.03471 -0.01148 100 2S 0.01448 -0.11048 0.02462 0.04160 0.03784 101 2PX 0.00343 0.02138 0.01889 0.15790 -0.02828 102 2PY 0.07824 -0.07858 0.04653 -0.20947 -0.05600 103 2PZ 0.04759 -0.00389 -0.00186 -0.12865 -0.03699 104 3S -0.01043 -0.53225 0.30062 0.60543 -0.08091 105 3PX -0.26924 0.18459 -0.08921 0.65791 -0.03102 106 3PY 0.34009 -0.71460 0.20162 -1.02042 -0.14684 107 3PZ 0.01909 -0.06269 0.07266 -0.59249 -0.44189 108 4XX 0.00408 0.00397 -0.00437 -0.00472 0.00316 109 4YY -0.00064 -0.00246 -0.00223 -0.00068 -0.00228 110 4ZZ -0.00293 0.01009 0.00200 0.00087 -0.00224 111 4XY -0.00897 0.00172 0.00236 0.00645 0.00669 112 4XZ 0.00161 -0.00982 0.00093 -0.00057 -0.00080 113 4YZ 0.00412 -0.00893 -0.00325 -0.00340 -0.02065 114 12 C 1S -0.09118 -0.02793 -0.00938 0.04413 0.05506 115 2S 0.06291 0.07105 0.00255 -0.02785 -0.06315 116 2PX 0.17533 0.00053 0.02549 0.09837 0.20214 117 2PY -0.03145 0.07778 0.01901 -0.03915 0.25394 118 2PZ 0.05795 -0.00878 -0.05156 -0.06857 0.02328 119 3S 1.81743 0.05429 0.24802 -0.97943 -0.91113 120 3PX 0.49519 0.16657 -0.04075 0.63830 0.81520 121 3PY -0.46504 0.46363 0.02937 -0.24133 1.08586 122 3PZ 0.37407 -0.19095 -0.10860 -0.64502 0.05880 123 4XX -0.00349 -0.00390 0.00460 0.01000 -0.00593 124 4YY -0.01318 -0.00021 -0.00162 -0.00185 0.02273 125 4ZZ -0.00485 -0.00575 -0.00570 0.00020 -0.00880 126 4XY 0.00358 0.00078 -0.00328 -0.00844 0.00642 127 4XZ 0.00232 0.00509 0.00017 -0.02495 -0.00667 128 4YZ 0.00325 -0.00258 0.00857 0.01165 -0.00212 129 13 C 1S 0.09117 0.02792 -0.00938 0.04489 -0.05445 130 2S -0.06290 -0.07105 0.00254 -0.02871 0.06276 131 2PX -0.17533 -0.00054 0.02545 0.10117 -0.20081 132 2PY -0.03147 0.07778 -0.01902 0.03584 0.25443 133 2PZ -0.05800 0.00878 -0.05161 -0.06815 -0.02420 134 3S -1.81722 -0.05428 0.24800 -0.99192 0.89764 135 3PX -0.49519 -0.16666 -0.04100 0.64969 -0.80655 136 3PY -0.46513 0.46359 -0.02941 0.22711 1.08901 137 3PZ -0.37418 0.19095 -0.10878 -0.64374 -0.06745 138 4XX 0.00349 0.00390 0.00459 0.00992 0.00606 139 4YY 0.01318 0.00021 -0.00162 -0.00155 -0.02275 140 4ZZ 0.00485 0.00575 -0.00570 0.00008 0.00881 141 4XY 0.00358 0.00078 0.00328 0.00835 0.00654 142 4XZ -0.00232 -0.00509 0.00017 -0.02503 0.00634 143 4YZ 0.00325 -0.00259 -0.00857 -0.01162 -0.00228 144 14 C 1S 0.00059 -0.05802 -0.01864 -0.03488 0.01101 145 2S -0.01448 0.11048 0.02461 0.04213 -0.03727 146 2PX -0.00346 -0.02137 0.01889 0.15749 0.03043 147 2PY 0.07825 -0.07860 -0.04653 0.21026 -0.05317 148 2PZ -0.04758 0.00388 -0.00185 -0.12914 0.03522 149 3S 0.01022 0.53223 0.30053 0.60472 0.08900 150 3PX 0.26917 -0.18451 -0.08916 0.65738 0.04000 151 3PY 0.34010 -0.71468 -0.20170 1.02254 -0.13313 152 3PZ -0.01900 0.06254 0.07271 -0.59826 0.43369 153 4XX -0.00408 -0.00398 -0.00437 -0.00467 -0.00323 154 4YY 0.00064 0.00247 -0.00223 -0.00071 0.00228 155 4ZZ 0.00293 -0.01010 0.00200 0.00083 0.00225 156 4XY -0.00897 0.00172 -0.00236 -0.00654 0.00660 157 4XZ -0.00161 0.00982 0.00093 -0.00058 0.00079 158 4YZ 0.00412 -0.00893 0.00325 0.00368 -0.02060 159 15 C 1S -0.01358 0.08144 0.00855 -0.01359 0.00873 160 2S 0.01511 -0.15593 -0.01271 0.02846 -0.00966 161 2PX -0.01892 0.06568 0.04563 -0.03923 -0.11744 162 2PY 0.02537 0.03855 0.02354 -0.10069 -0.06273 163 2PZ -0.03704 -0.07642 -0.03240 0.08942 0.09171 164 3S 0.07333 -0.80291 -0.24625 0.49485 -0.28999 165 3PX -0.09675 0.45275 0.04783 -0.26995 -0.33794 166 3PY 0.04506 0.40570 0.14589 -0.40361 -0.31910 167 3PZ -0.02027 -0.68198 -0.06220 0.40577 0.48311 168 4XX -0.00275 -0.00136 0.00256 -0.00212 0.00236 169 4YY -0.00810 0.01527 -0.00033 -0.00937 0.00668 170 4ZZ 0.00073 0.00357 -0.00316 0.01517 -0.00885 171 4XY 0.00094 -0.00451 -0.00132 -0.00572 0.00491 172 4XZ 0.00206 0.00025 0.00112 -0.00851 -0.00099 173 4YZ -0.00087 0.00605 0.00086 -0.00942 -0.00360 174 16 H 1S -0.00209 -0.04002 -0.00955 0.03895 0.01464 175 2S -0.01973 -1.34338 0.25770 -0.77703 0.66839 176 17 H 1S 0.00845 0.03282 -0.01909 0.00880 -0.02682 177 2S -0.36717 1.00396 -0.35752 0.93294 0.07155 178 18 H 1S 0.00073 -0.02880 -0.03634 -0.07044 -0.02641 179 2S -0.04339 -0.42282 -0.30452 -0.11752 0.14995 180 19 H 1S -0.00074 0.02879 -0.03636 -0.07077 0.02545 181 2S 0.04321 0.42276 -0.30476 -0.11477 -0.15141 182 20 H 1S -0.00845 -0.03282 -0.01910 0.00848 0.02694 183 2S 0.36723 -1.00402 -0.35756 0.93382 -0.05893 184 21 H 1S 0.00209 0.04002 -0.00955 0.03916 -0.01410 185 2S 0.01981 1.34344 0.25785 -0.76814 -0.67883 186 22 H 1S -0.00808 -0.01987 0.01887 -0.04123 -0.04950 187 2S -1.16683 -0.37629 -0.02343 -0.13003 -0.96481 188 23 H 1S 0.00809 0.01987 0.01888 -0.04189 0.04893 189 2S 1.16683 0.37631 -0.02312 -0.14327 0.96295 61 62 63 64 65 V V V V V Eigenvalues -- 0.24789 0.30577 0.31743 0.32867 0.37584 1 1 C 1S 0.04396 0.01573 -0.00554 -0.01646 -0.10929 2 2S -0.08045 -0.02064 0.02752 -0.02446 0.10566 3 2PX 0.05161 0.03567 -0.00337 0.14071 -0.11457 4 2PY -0.00206 -0.01256 0.01336 0.23688 0.16471 5 2PZ 0.11187 0.08273 -0.03872 -0.09506 0.24875 6 3S -0.76699 -0.31111 0.13433 1.23618 2.60517 7 3PX -0.10679 -0.13951 0.05312 0.67950 -1.08503 8 3PY -0.16422 -0.05982 -0.08660 1.77574 1.84288 9 3PZ 0.44618 0.23759 -0.00804 -0.36181 1.04337 10 4XX 0.00363 0.00040 0.00157 0.00173 0.01134 11 4YY 0.00763 0.00533 0.00593 -0.02372 -0.02631 12 4ZZ -0.00130 0.00168 -0.00284 0.00711 0.00871 13 4XY -0.00036 0.00089 -0.00608 -0.00492 -0.00248 14 4XZ -0.00694 -0.00197 -0.00531 -0.01626 0.01081 15 4YZ -0.00414 -0.00114 -0.00177 -0.00045 -0.00496 16 2 C 1S -0.04397 -0.01574 -0.00553 0.01646 0.10929 17 2S 0.08046 0.02065 0.02751 0.02445 -0.10566 18 2PX -0.05161 -0.03568 -0.00339 -0.14073 0.11457 19 2PY -0.00201 -0.01253 -0.01333 0.23689 0.16474 20 2PZ -0.11190 -0.08274 -0.03869 0.09509 -0.24874 21 3S 0.76722 0.31123 0.13409 -1.23614 -2.60514 22 3PX 0.10679 0.13951 0.05295 -0.67957 1.08496 23 3PY -0.16407 -0.05974 0.08686 1.77569 1.84301 24 3PZ -0.44626 -0.23760 -0.00790 0.36195 -1.04322 25 4XX -0.00363 -0.00040 0.00157 -0.00173 -0.01134 26 4YY -0.00764 -0.00533 0.00593 0.02372 0.02631 27 4ZZ 0.00130 -0.00168 -0.00284 -0.00711 -0.00871 28 4XY -0.00036 0.00089 0.00608 -0.00492 -0.00248 29 4XZ 0.00694 0.00197 -0.00531 0.01626 -0.01081 30 4YZ -0.00414 -0.00114 0.00177 -0.00045 -0.00496 31 3 C 1S 0.00001 0.00000 -0.00291 0.00000 0.00000 32 2S -0.00001 0.00000 -0.00490 0.00000 0.00000 33 2PX 0.00000 0.00000 0.00337 0.00000 -0.00001 34 2PY -0.02140 0.00191 -0.00001 -0.03253 0.34540 35 2PZ -0.00001 0.00000 -0.00930 0.00000 0.00002 36 3S -0.00008 0.00001 0.02544 -0.00002 0.00003 37 3PX -0.00004 0.00002 0.04978 0.00000 0.00002 38 3PY 0.08064 0.01691 -0.00007 -0.94188 -0.13281 39 3PZ -0.00003 -0.00001 -0.02530 -0.00005 -0.00002 40 4XX 0.00000 0.00000 -0.00107 0.00000 0.00000 41 4YY 0.00000 0.00000 -0.00498 0.00000 0.00000 42 4ZZ 0.00000 0.00000 0.00101 0.00000 0.00000 43 4XY -0.00121 0.00071 0.00000 0.01231 -0.02169 44 4XZ 0.00000 0.00000 0.00178 0.00000 0.00000 45 4YZ 0.00467 -0.00091 0.00000 0.00449 0.00612 46 4 O 1S -0.00148 0.00156 0.00070 -0.02052 0.03944 47 2S 0.01865 0.01698 -0.00101 0.05547 -0.02453 48 2PX 0.00887 0.00540 0.00417 0.21009 -0.19610 49 2PY 0.03113 -0.00189 -0.01646 -0.07452 -0.00619 50 2PZ -0.03826 -0.00242 -0.01078 -0.13829 0.12041 51 3S -0.05972 -0.10217 -0.02470 0.19565 -0.93451 52 3PX -0.05484 -0.04175 -0.00460 0.50963 -0.38665 53 3PY 0.02177 0.00085 0.00415 -0.20642 -0.29362 54 3PZ -0.02750 0.00811 -0.00109 -0.33755 0.26321 55 4XX 0.00186 0.00650 -0.00257 0.00338 0.01617 56 4YY 0.00868 0.00745 0.00171 -0.00974 0.00150 57 4ZZ -0.00262 0.00356 0.00178 0.00277 0.02686 58 4XY -0.00533 0.00117 0.00085 0.02203 0.02847 59 4XZ 0.00537 0.00134 0.00106 0.00176 0.01164 60 4YZ 0.00365 0.00513 -0.00050 -0.01349 -0.00895 61 5 H 1S 0.03617 0.02344 0.00051 0.04908 -0.07988 62 2S 0.69417 0.35895 -0.21823 0.30162 1.11702 63 6 H 1S -0.03619 -0.02344 0.00051 -0.04909 0.07987 64 2S -0.69447 -0.35909 -0.21816 -0.30165 -1.11708 65 7 H 1S 0.00000 0.00000 0.00936 0.00000 0.00000 66 2S -0.00001 0.00000 0.00357 0.00000 -0.00001 67 8 O 1S 0.00148 -0.00156 0.00071 0.02052 -0.03944 68 2S -0.01865 -0.01699 -0.00102 -0.05547 0.02453 69 2PX -0.00887 -0.00540 0.00414 -0.21010 0.19610 70 2PY 0.03111 -0.00188 0.01644 -0.07454 -0.00617 71 2PZ 0.03829 0.00243 -0.01075 0.13829 -0.12041 72 3S 0.05973 0.10211 -0.02478 -0.19565 0.93447 73 3PX 0.05482 0.04173 -0.00469 -0.50963 0.38666 74 3PY 0.02172 0.00086 -0.00418 -0.20647 -0.29356 75 3PZ 0.02755 -0.00809 -0.00103 0.33755 -0.26323 76 4XX -0.00186 -0.00650 -0.00257 -0.00338 -0.01617 77 4YY -0.00868 -0.00745 0.00171 0.00974 -0.00150 78 4ZZ 0.00263 -0.00356 0.00178 -0.00278 -0.02686 79 4XY -0.00533 0.00117 -0.00085 0.02203 0.02847 80 4XZ -0.00538 -0.00134 0.00106 -0.00176 -0.01163 81 4YZ 0.00365 0.00513 0.00050 -0.01349 -0.00895 82 9 H 1S 0.00000 0.00000 0.00406 0.00000 0.00000 83 2S 0.00007 0.00000 0.02606 0.00000 0.00000 84 10 C 1S -0.01996 0.04516 -0.06143 0.01582 -0.01482 85 2S 0.01987 -0.05050 0.04015 -0.03190 0.00785 86 2PX -0.03743 0.06468 0.03421 -0.03044 -0.01095 87 2PY -0.06445 0.19071 0.04303 0.01173 0.02407 88 2PZ 0.10282 0.02040 -0.14396 0.04149 -0.04375 89 3S 0.47208 -1.31396 2.01158 -0.39164 0.65601 90 3PX -0.21319 0.24057 0.29161 -0.08910 0.06457 91 3PY -0.25083 1.30180 0.74302 0.15885 -0.23454 92 3PZ 0.44815 -0.07474 -1.18412 0.20499 -0.43595 93 4XX 0.00195 -0.00435 0.00310 0.00270 -0.00744 94 4YY -0.01177 0.02230 0.00821 0.00181 0.00672 95 4ZZ 0.00582 -0.01556 -0.02128 -0.00652 0.00175 96 4XY -0.00184 -0.00179 -0.01164 -0.00157 -0.00108 97 4XZ -0.00625 0.01613 -0.00159 -0.00120 -0.01036 98 4YZ 0.00581 -0.00175 0.03136 -0.00042 -0.00211 99 11 C 1S -0.02261 0.05271 0.05187 -0.01302 0.00627 100 2S 0.02687 -0.06034 -0.04467 -0.01094 0.06160 101 2PX 0.01664 -0.16499 0.06291 0.05346 0.00465 102 2PY -0.02357 0.03928 0.12541 0.02926 -0.00236 103 2PZ -0.05210 0.02394 -0.22903 0.01018 0.01484 104 3S 0.62014 -1.30297 -1.51926 0.39137 -0.48306 105 3PX -0.00409 -0.63322 0.41282 0.00990 0.00147 106 3PY -0.09870 0.09443 0.87560 -0.10818 0.31435 107 3PZ -0.12174 0.28330 -1.42293 0.09616 -0.19168 108 4XX 0.00045 0.00791 -0.00035 0.01061 -0.00651 109 4YY 0.01373 -0.01972 -0.00194 -0.00875 0.00471 110 4ZZ -0.01529 0.01836 0.00955 -0.00543 0.00785 111 4XY -0.01026 -0.00893 0.00473 -0.01042 -0.01102 112 4XZ 0.00452 -0.01095 0.00359 0.00040 -0.00053 113 4YZ 0.00072 0.01669 -0.01763 0.00294 -0.00668 114 12 C 1S 0.01095 -0.01792 0.01192 0.00336 0.00384 115 2S -0.00009 0.02396 -0.00976 0.00579 -0.01644 116 2PX 0.12725 -0.09751 0.00801 -0.07065 0.00514 117 2PY -0.19873 0.14027 -0.07226 -0.04719 -0.02481 118 2PZ 0.18133 0.24951 -0.03182 0.02269 0.02768 119 3S -0.25327 0.27013 -0.49719 -0.19208 0.07195 120 3PX 0.65381 -0.41296 0.11296 -0.05740 0.02039 121 3PY -0.70985 0.52203 -0.29492 -0.22117 -0.12658 122 3PZ 0.61565 1.00782 0.12910 0.02510 0.17227 123 4XX 0.00762 0.00338 -0.00197 -0.01236 0.00457 124 4YY -0.01257 0.00850 0.01260 -0.00219 -0.00102 125 4ZZ 0.01054 -0.01302 -0.01021 0.01119 0.00075 126 4XY 0.00378 -0.00259 -0.02351 -0.00266 -0.00149 127 4XZ -0.00331 0.01072 0.00382 -0.00301 -0.00017 128 4YZ 0.00446 0.00441 0.00493 0.00142 -0.00077 129 13 C 1S -0.01092 0.01793 0.01192 -0.00337 -0.00384 130 2S 0.00007 -0.02396 -0.00977 -0.00579 0.01644 131 2PX -0.12714 0.09751 0.00803 0.07066 -0.00514 132 2PY -0.19871 0.14033 0.07219 -0.04720 -0.02481 133 2PZ -0.18137 -0.24948 -0.03177 -0.02267 -0.02768 134 3S 0.25262 -0.27032 -0.49715 0.19225 -0.07199 135 3PX -0.65329 0.41299 0.11299 0.05735 -0.02036 136 3PY -0.70971 0.52226 0.29467 -0.22124 -0.12656 137 3PZ -0.61605 -1.00769 0.12937 -0.02507 -0.17225 138 4XX -0.00761 -0.00337 -0.00197 0.01236 -0.00458 139 4YY 0.01256 -0.00850 0.01261 0.00219 0.00102 140 4ZZ -0.01054 0.01302 -0.01021 -0.01118 -0.00075 141 4XY 0.00379 -0.00258 0.02351 -0.00267 -0.00149 142 4XZ 0.00330 -0.01072 0.00383 0.00302 0.00017 143 4YZ 0.00446 0.00441 -0.00493 0.00142 -0.00077 144 14 C 1S 0.02259 -0.05270 0.05189 0.01301 -0.00627 145 2S -0.02686 0.06033 -0.04468 0.01095 -0.06161 146 2PX -0.01656 0.16501 0.06290 -0.05349 -0.00466 147 2PY -0.02343 0.03927 -0.12536 0.02927 -0.00238 148 2PZ 0.05201 -0.02396 -0.22905 -0.01011 -0.01485 149 3S -0.61989 1.30270 -1.51974 -0.39116 0.48309 150 3PX 0.00443 0.63333 0.41278 -0.01003 -0.00152 151 3PY -0.09804 0.09437 -0.87540 -0.10808 0.31430 152 3PZ 0.12141 -0.28350 -1.42319 -0.09589 0.19171 153 4XX -0.00045 -0.00791 -0.00035 -0.01061 0.00651 154 4YY -0.01374 0.01971 -0.00195 0.00875 -0.00471 155 4ZZ 0.01529 -0.01835 0.00957 0.00543 -0.00785 156 4XY -0.01027 -0.00893 -0.00473 -0.01042 -0.01102 157 4XZ -0.00452 0.01094 0.00359 -0.00041 0.00052 158 4YZ 0.00072 0.01670 0.01763 0.00294 -0.00668 159 15 C 1S 0.01995 -0.04518 -0.06143 -0.01581 0.01482 160 2S -0.01986 0.05050 0.04014 0.03190 -0.00786 161 2PX 0.03739 -0.06468 0.03423 0.03043 0.01095 162 2PY -0.06448 0.19070 -0.04304 0.01175 0.02405 163 2PZ -0.10277 -0.02040 -0.14400 -0.04147 0.04375 164 3S -0.47180 1.31429 2.01156 0.39125 -0.65599 165 3PX 0.21305 -0.24057 0.29172 0.08906 -0.06454 166 3PY -0.25099 1.30166 -0.74305 0.15904 -0.23463 167 3PZ -0.44792 0.07475 -1.18446 -0.20477 0.43591 168 4XX -0.00195 0.00435 0.00309 -0.00270 0.00744 169 4YY 0.01177 -0.02230 0.00823 -0.00181 -0.00673 170 4ZZ -0.00580 0.01556 -0.02129 0.00653 -0.00175 171 4XY -0.00185 -0.00179 0.01164 -0.00157 -0.00108 172 4XZ 0.00624 -0.01613 -0.00158 0.00121 0.01037 173 4YZ 0.00581 -0.00176 -0.03135 -0.00041 -0.00212 174 16 H 1S 0.02295 -0.06790 0.08769 0.00284 0.02645 175 2S -0.45978 -0.17248 0.19509 -0.12657 0.18602 176 17 H 1S 0.06993 -0.07948 -0.02800 -0.03990 0.00381 177 2S 0.00796 0.10512 -0.41952 -0.12466 -0.15019 178 18 H 1S 0.06263 -0.00500 -0.03234 0.04677 0.00193 179 2S 1.30620 0.62463 0.18512 0.23521 0.19374 180 19 H 1S -0.06265 0.00502 -0.03237 -0.04676 -0.00193 181 2S -1.30605 -0.62453 0.18520 -0.23518 -0.19369 182 20 H 1S -0.06993 0.07948 -0.02802 0.03990 -0.00380 183 2S -0.00728 -0.10518 -0.41946 0.12467 0.15014 184 21 H 1S -0.02292 0.06792 0.08768 -0.00286 -0.02645 185 2S 0.45929 0.17253 0.19513 0.12657 -0.18602 186 22 H 1S -0.00580 0.01383 -0.04457 -0.02867 0.01233 187 2S -0.47117 -0.15886 0.07164 0.25755 -0.02319 188 23 H 1S 0.00577 -0.01386 -0.04456 0.02868 -0.01233 189 2S 0.47107 0.15894 0.07141 -0.25758 0.02319 66 67 68 69 70 V V V V V Eigenvalues -- 0.43553 0.47078 0.48268 0.48732 0.50574 1 1 C 1S -0.01374 -0.00813 0.01266 0.00986 0.01873 2 2S 0.03210 -0.19206 -0.08238 0.04561 -0.10559 3 2PX -0.05427 -0.08907 0.13668 -0.15301 0.04681 4 2PY -0.01514 -0.31213 0.03318 0.03259 0.15512 5 2PZ 0.00711 0.19943 -0.02999 -0.18412 -0.25120 6 3S 0.22173 0.04033 0.02823 -0.00042 0.07823 7 3PX 0.07279 0.10067 -0.13432 0.26858 -0.00666 8 3PY 0.00494 0.39984 0.15579 -0.11765 -0.13890 9 3PZ -0.00627 -0.28632 0.04603 0.14218 0.28001 10 4XX 0.00092 0.01306 -0.01044 0.01252 -0.01140 11 4YY 0.00052 -0.06762 -0.00205 0.00046 -0.00391 12 4ZZ -0.00005 0.01001 0.00933 0.00678 0.01966 13 4XY -0.00125 0.00023 0.00384 -0.00750 0.01783 14 4XZ 0.00356 0.03392 -0.00250 -0.01448 -0.01265 15 4YZ 0.00073 0.00280 -0.00341 0.01021 -0.00186 16 2 C 1S 0.01374 -0.00813 -0.01266 0.00985 0.01873 17 2S -0.03209 -0.19206 0.08232 0.04568 -0.10559 18 2PX 0.05430 -0.08906 -0.13655 -0.15311 0.04677 19 2PY -0.01518 0.31208 0.03317 -0.03257 -0.15506 20 2PZ -0.00713 0.19947 0.03011 -0.18411 -0.25121 21 3S -0.22174 0.04038 -0.02822 -0.00037 0.07823 22 3PX -0.07279 0.10064 0.13411 0.26864 -0.00663 23 3PY 0.00497 -0.39988 0.15573 0.11768 0.13889 24 3PZ 0.00629 -0.28633 -0.04610 0.14217 0.28006 25 4XX -0.00093 0.01306 0.01043 0.01253 -0.01140 26 4YY -0.00051 -0.06762 0.00205 0.00047 -0.00390 27 4ZZ 0.00005 0.01001 -0.00934 0.00677 0.01965 28 4XY -0.00125 -0.00023 0.00383 0.00751 -0.01783 29 4XZ -0.00356 0.03391 0.00251 -0.01448 -0.01265 30 4YZ 0.00073 -0.00280 -0.00339 -0.01021 0.00185 31 3 C 1S 0.00000 0.00507 0.00000 0.00298 0.01419 32 2S 0.00002 -0.28776 0.00009 -0.24092 -0.11605 33 2PX 0.00002 -0.37678 0.00017 -0.46277 -0.23480 34 2PY 0.07968 -0.00002 -0.21613 -0.00007 0.00001 35 2PZ 0.00000 0.16380 0.00001 -0.04640 -0.07758 36 3S -0.00005 0.77695 -0.00022 0.56221 0.14334 37 3PX -0.00005 0.81103 -0.00040 1.06137 0.33901 38 3PY -0.00706 0.00004 0.25592 0.00009 -0.00005 39 3PZ 0.00001 -0.35876 -0.00003 0.13596 0.27208 40 4XX 0.00000 -0.02731 0.00000 0.00533 0.01895 41 4YY 0.00000 0.04092 -0.00001 0.01631 0.01106 42 4ZZ 0.00000 -0.00173 0.00001 -0.02064 -0.01367 43 4XY -0.00517 0.00000 0.01083 0.00000 0.00000 44 4XZ 0.00000 0.00234 -0.00001 0.03194 0.00193 45 4YZ 0.00291 0.00000 0.00303 0.00000 0.00000 46 4 O 1S 0.00431 0.01240 -0.00557 -0.00027 -0.00861 47 2S -0.03215 -0.00216 0.01294 0.08493 0.06226 48 2PX -0.06333 -0.10439 0.05504 -0.05979 -0.02797 49 2PY 0.01037 0.06619 -0.01699 0.04711 0.10927 50 2PZ 0.00576 0.02802 -0.03816 -0.08033 -0.14346 51 3S 0.00764 -0.31771 0.07932 -0.41178 -0.20944 52 3PX -0.03930 0.07201 0.01409 -0.03379 -0.02314 53 3PY 0.00048 -0.28072 0.00127 -0.14213 -0.05480 54 3PZ 0.02362 0.03021 -0.01574 -0.09147 -0.03179 55 4XX -0.00494 0.03484 0.00566 0.01420 -0.00663 56 4YY -0.01062 -0.06146 0.00716 -0.01549 -0.00575 57 4ZZ -0.00236 0.03797 -0.01305 0.04759 0.01189 58 4XY 0.00460 0.02823 -0.02221 0.02600 0.00349 59 4XZ 0.00106 0.00413 0.00736 0.01174 0.03730 60 4YZ -0.00453 -0.01169 0.01165 -0.00595 0.00326 61 5 H 1S -0.02027 -0.12543 0.04233 0.08176 0.11494 62 2S -0.14684 0.00094 0.22680 -0.14811 0.09050 63 6 H 1S 0.02027 -0.12542 -0.04240 0.08173 0.11493 64 2S 0.14684 0.00100 -0.22667 -0.14823 0.09050 65 7 H 1S 0.00000 -0.00251 -0.00007 0.19724 0.08018 66 2S 0.00000 0.02737 -0.00008 0.20377 0.12769 67 8 O 1S -0.00431 0.01239 0.00557 -0.00026 -0.00861 68 2S 0.03215 -0.00215 -0.01298 0.08493 0.06224 69 2PX 0.06334 -0.10438 -0.05499 -0.05982 -0.02798 70 2PY 0.01037 -0.06620 -0.01697 -0.04711 -0.10925 71 2PZ -0.00577 0.02801 0.03821 -0.08030 -0.14346 72 3S -0.00759 -0.31774 -0.07903 -0.41185 -0.20941 73 3PX 0.03930 0.07201 -0.01407 -0.03381 -0.02318 74 3PY 0.00046 0.28073 0.00115 0.14214 0.05479 75 3PZ -0.02362 0.03024 0.01581 -0.09145 -0.03177 76 4XX 0.00493 0.03485 -0.00567 0.01420 -0.00663 77 4YY 0.01062 -0.06146 -0.00715 -0.01549 -0.00575 78 4ZZ 0.00235 0.03797 0.01302 0.04760 0.01189 79 4XY 0.00460 -0.02823 -0.02219 -0.02602 -0.00349 80 4XZ -0.00106 0.00413 -0.00737 0.01173 0.03730 81 4YZ -0.00453 0.01168 0.01164 0.00596 -0.00326 82 9 H 1S 0.00000 0.03606 0.00002 -0.06199 -0.02969 83 2S 0.00001 0.02044 0.00001 -0.03647 -0.12338 84 10 C 1S 0.09086 -0.00822 -0.03934 -0.01128 -0.00341 85 2S -0.02616 -0.05821 0.01513 -0.16103 -0.30050 86 2PX -0.08717 0.17996 0.01928 0.17624 -0.01691 87 2PY 0.17880 -0.04521 0.21590 0.25583 -0.10625 88 2PZ 0.06273 0.12360 -0.19482 -0.07015 0.17614 89 3S -3.40747 0.14681 1.77257 0.42107 0.32147 90 3PX -0.60497 -0.14813 0.49540 -0.19964 0.03216 91 3PY 2.40427 0.16112 1.52145 -0.30055 0.17415 92 3PZ 1.28378 -0.14780 -2.38724 0.03177 -0.18711 93 4XX -0.00366 0.00116 0.00032 0.00930 0.00716 94 4YY 0.01031 0.00334 0.02151 -0.05327 -0.02521 95 4ZZ -0.00674 -0.02075 -0.01182 0.00059 -0.04692 96 4XY -0.00265 -0.00773 0.00231 0.00505 -0.00581 97 4XZ 0.00371 0.00284 -0.00767 0.00929 0.02641 98 4YZ 0.01068 0.01671 -0.00622 -0.02107 0.00616 99 11 C 1S -0.07624 0.00677 0.04852 0.01038 -0.00190 100 2S 0.06357 -0.11355 0.00603 0.03889 -0.02980 101 2PX 0.08877 0.10277 0.12978 -0.14261 0.01786 102 2PY -0.12637 0.06460 0.06711 -0.04986 -0.03002 103 2PZ -0.16753 -0.08947 -0.11063 0.09095 -0.30095 104 3S 2.15784 -0.01096 -2.35266 -0.27965 -0.19077 105 3PX 0.72267 -0.04386 0.78412 0.34861 -0.10222 106 3PY -1.79905 -0.04519 1.08212 0.25083 0.14242 107 3PZ -0.25996 0.15697 -2.28322 -0.26737 0.48226 108 4XX -0.00392 -0.01018 -0.01327 -0.00327 0.02659 109 4YY -0.00238 0.00729 -0.00984 -0.00007 -0.00480 110 4ZZ 0.01308 -0.00746 0.02339 0.01634 -0.01567 111 4XY 0.00539 0.00748 0.00469 0.01586 -0.01495 112 4XZ -0.00925 0.01511 0.01108 0.01680 0.00322 113 4YZ 0.01643 0.01783 -0.01281 -0.02504 0.02607 114 12 C 1S 0.05513 -0.00112 -0.01133 0.00269 0.00001 115 2S 0.01998 -0.05975 0.00340 -0.03140 -0.02586 116 2PX 0.10088 0.13088 0.11107 0.09589 -0.10964 117 2PY -0.03741 0.13585 -0.20407 -0.18398 0.18497 118 2PZ -0.04931 0.07614 -0.06178 -0.08314 -0.07395 119 3S -1.77135 0.12258 0.10743 -0.00961 0.18515 120 3PX 1.19943 -0.12346 0.31843 -0.10200 0.06932 121 3PY 0.28969 -0.11905 -1.16082 0.16093 -0.20109 122 3PZ -1.29968 -0.12804 0.01330 0.13427 0.09842 123 4XX 0.01214 0.02857 0.02012 -0.00499 -0.00666 124 4YY -0.00252 -0.02827 -0.00834 0.02648 -0.03811 125 4ZZ -0.00424 -0.01171 -0.01227 -0.02124 0.04464 126 4XY 0.00208 0.01469 -0.00866 0.00407 -0.02390 127 4XZ -0.02779 0.00251 0.00736 0.01477 -0.02430 128 4YZ 0.00111 0.01623 0.00118 -0.00475 -0.00338 129 13 C 1S -0.05513 -0.00113 0.01133 0.00270 0.00002 130 2S -0.01997 -0.05974 -0.00338 -0.03141 -0.02585 131 2PX -0.10089 0.13089 -0.11113 0.09580 -0.10962 132 2PY -0.03744 -0.13583 -0.20415 0.18384 -0.18499 133 2PZ 0.04928 0.07616 0.06182 -0.08306 -0.07396 134 3S 1.77133 0.12266 -0.10749 -0.00962 0.18515 135 3PX -1.19952 -0.12362 -0.31825 -0.10225 0.06933 136 3PY 0.28944 0.11896 -1.16078 -0.16171 0.20114 137 3PZ 1.29959 -0.12795 -0.01357 0.13429 0.09844 138 4XX -0.01215 0.02857 -0.02013 -0.00501 -0.00666 139 4YY 0.00251 -0.02828 0.00833 0.02648 -0.03810 140 4ZZ 0.00425 -0.01171 0.01228 -0.02123 0.04464 141 4XY 0.00208 -0.01468 -0.00866 -0.00408 0.02391 142 4XZ 0.02779 0.00252 -0.00737 0.01476 -0.02431 143 4YZ 0.00110 -0.01623 0.00117 0.00476 0.00337 144 14 C 1S 0.07624 0.00677 -0.04853 0.01035 -0.00190 145 2S -0.06356 -0.11356 -0.00607 0.03889 -0.02977 146 2PX -0.08877 0.10272 -0.12972 -0.14272 0.01789 147 2PY -0.12638 -0.06460 0.06703 0.04988 0.03009 148 2PZ 0.16750 -0.08944 0.11055 0.09106 -0.30093 149 3S -2.15789 -0.01095 2.35279 -0.27809 -0.19077 150 3PX -0.72260 -0.04393 -0.78440 0.34807 -0.10224 151 3PY -1.79914 0.04513 1.08183 -0.25009 -0.14251 152 3PZ 0.25954 0.15718 2.28351 -0.26586 0.48218 153 4XX 0.00392 -0.01018 0.01327 -0.00326 0.02659 154 4YY 0.00237 0.00730 0.00984 -0.00007 -0.00478 155 4ZZ -0.01307 -0.00747 -0.02341 0.01634 -0.01568 156 4XY 0.00539 -0.00748 0.00470 -0.01586 0.01496 157 4XZ 0.00925 0.01511 -0.01108 0.01679 0.00322 158 4YZ 0.01644 -0.01782 -0.01281 0.02503 -0.02607 159 15 C 1S -0.09086 -0.00823 0.03934 -0.01126 -0.00341 160 2S 0.02615 -0.05821 -0.01502 -0.16103 -0.30048 161 2PX 0.08713 0.17996 -0.01941 0.17622 -0.01691 162 2PY 0.17880 0.04522 0.21605 -0.25566 0.10621 163 2PZ -0.06271 0.12361 0.19490 -0.07008 0.17616 164 3S 3.40754 0.14694 -1.77274 0.41988 0.32145 165 3PX 0.60491 -0.14811 -0.49528 -0.19996 0.03218 166 3PY 2.40452 -0.16076 1.52074 0.30162 -0.17412 167 3PZ -1.28341 -0.14776 2.38743 0.03346 -0.18713 168 4XX 0.00366 0.00115 -0.00033 0.00930 0.00716 169 4YY -0.01032 0.00334 -0.02147 -0.05329 -0.02520 170 4ZZ 0.00674 -0.02076 0.01182 0.00060 -0.04692 171 4XY -0.00265 0.00773 0.00232 -0.00504 0.00581 172 4XZ -0.00371 0.00285 0.00767 0.00929 0.02640 173 4YZ 0.01067 -0.01670 -0.00624 0.02105 -0.00616 174 16 H 1S 0.04303 -0.00058 -0.03502 -0.10842 -0.10299 175 2S -0.99324 -0.08102 0.48800 -0.02942 -0.04165 176 17 H 1S -0.08706 0.05095 -0.03839 -0.01642 -0.04426 177 2S 0.73448 0.00398 -0.27724 -0.04353 -0.05322 178 18 H 1S -0.06896 -0.07657 -0.05930 -0.02483 0.12950 179 2S -0.25755 -0.03262 0.21478 0.05797 -0.04959 180 19 H 1S 0.06894 -0.07656 0.05931 -0.02478 0.12951 181 2S 0.25754 -0.03260 -0.21478 0.05784 -0.04958 182 20 H 1S 0.08705 0.05097 0.03838 -0.01639 -0.04425 183 2S -0.73445 0.00394 0.27725 -0.04337 -0.05322 184 21 H 1S -0.04303 -0.00058 0.03511 -0.10839 -0.10298 185 2S 0.99326 -0.08096 -0.48798 -0.02973 -0.04165 186 22 H 1S -0.04493 0.11381 0.06257 0.00737 -0.11362 187 2S -0.28599 -0.09333 -0.03035 -0.03075 0.04432 188 23 H 1S 0.04495 0.11382 -0.06260 0.00733 -0.11363 189 2S 0.28597 -0.09330 0.03040 -0.03073 0.04431 71 72 73 74 75 V V V V V Eigenvalues -- 0.53041 0.53410 0.54682 0.57017 0.57365 1 1 C 1S 0.01561 -0.00733 -0.05308 0.00441 -0.01017 2 2S 0.06284 0.23117 0.12348 0.14733 -0.21241 3 2PX 0.21118 -0.38918 -0.16931 0.11899 -0.05119 4 2PY 0.15267 0.00993 0.03922 -0.07919 0.12203 5 2PZ 0.00141 -0.07384 0.09137 0.01531 -0.24514 6 3S 0.01019 -0.29940 1.13736 -0.44959 0.77836 7 3PX -0.16803 0.49274 -0.11977 -0.18261 -0.01593 8 3PY -0.29030 0.00554 0.91174 0.28416 0.03908 9 3PZ -0.11915 0.05447 0.34770 -0.00777 0.69122 10 4XX 0.00591 -0.01553 -0.01095 -0.02033 0.00933 11 4YY 0.01908 0.03914 0.00175 0.01229 -0.02745 12 4ZZ 0.00677 -0.00919 -0.00145 0.03425 -0.00810 13 4XY 0.01449 -0.04167 0.01514 0.02009 0.00519 14 4XZ -0.01460 -0.00765 0.02099 -0.00392 -0.00569 15 4YZ -0.01269 0.03249 -0.01289 0.03675 0.00157 16 2 C 1S 0.01561 -0.00731 0.05309 0.00442 0.01016 17 2S 0.06286 0.23113 -0.12354 0.14740 0.21234 18 2PX 0.21121 -0.38909 0.16945 0.11883 0.05117 19 2PY -0.15267 -0.00993 0.03922 0.07932 0.12204 20 2PZ 0.00141 -0.07389 -0.09137 0.01541 0.24513 21 3S 0.01024 -0.29957 -1.13726 -0.44982 -0.77829 22 3PX -0.16813 0.49264 0.11955 -0.18219 0.01594 23 3PY 0.29025 -0.00539 0.91179 -0.28418 0.03907 24 3PZ -0.11912 0.05447 -0.34760 -0.00798 -0.69118 25 4XX 0.00591 -0.01553 0.01096 -0.02034 -0.00933 26 4YY 0.01908 0.03915 -0.00176 0.01231 0.02743 27 4ZZ 0.00677 -0.00919 0.00146 0.03423 0.00810 28 4XY -0.01449 0.04167 0.01513 -0.02009 0.00519 29 4XZ -0.01460 -0.00765 -0.02099 -0.00391 0.00569 30 4YZ 0.01269 -0.03249 -0.01288 -0.03676 0.00158 31 3 C 1S 0.01483 -0.02372 0.00001 -0.00488 0.00000 32 2S -0.12846 0.14506 -0.00003 0.04265 0.00001 33 2PX -0.25265 0.23369 -0.00003 -0.00943 0.00003 34 2PY 0.00004 -0.00008 -0.84182 -0.00003 -0.01992 35 2PZ 0.11975 -0.27310 -0.00001 -0.17868 -0.00002 36 3S 0.19962 -0.25611 0.00004 -0.05981 -0.00002 37 3PX 0.42893 -0.21368 0.00000 -0.01954 -0.00010 38 3PY -0.00008 0.00014 1.45705 0.00003 0.06923 39 3PZ -0.20611 0.57005 0.00002 0.50303 0.00006 40 4XX -0.00480 0.01347 0.00000 0.00465 0.00000 41 4YY 0.03160 -0.02817 0.00001 -0.01605 0.00000 42 4ZZ 0.00027 -0.02572 0.00000 -0.00240 0.00000 43 4XY 0.00000 0.00001 0.07800 0.00000 -0.00726 44 4XZ -0.00655 0.03320 0.00000 0.01471 0.00000 45 4YZ 0.00000 -0.00001 -0.03733 0.00000 0.01227 46 4 O 1S -0.00684 0.00077 0.01247 -0.00457 0.00378 47 2S 0.08052 -0.16957 -0.09219 -0.00832 -0.00553 48 2PX -0.01578 -0.07262 0.00405 -0.00793 0.01593 49 2PY 0.16035 -0.18223 -0.28458 -0.08655 0.04978 50 2PZ -0.04333 -0.03378 0.05231 -0.04936 -0.06440 51 3S -0.26671 0.62469 0.39549 0.15548 -0.27051 52 3PX 0.03663 0.03184 -0.30857 0.04028 -0.14024 53 3PY -0.07407 0.20176 0.03555 0.04246 -0.05907 54 3PZ 0.05001 -0.15960 0.11019 -0.07105 0.05623 55 4XX 0.01501 -0.04568 0.02723 0.00298 -0.02928 56 4YY -0.01478 -0.00489 0.00372 0.00238 0.00242 57 4ZZ 0.01620 -0.05295 -0.02123 -0.01113 0.00324 58 4XY 0.00091 0.00520 -0.06192 0.00505 -0.01651 59 4XZ 0.02744 -0.04381 -0.04619 -0.00006 0.02622 60 4YZ 0.00168 -0.00882 0.01959 0.00625 -0.00078 61 5 H 1S -0.02064 0.11907 -0.06603 0.15075 -0.02225 62 2S -0.14221 -0.07756 0.44075 0.11708 0.13770 63 6 H 1S -0.02064 0.11911 0.06601 0.15078 0.02224 64 2S -0.14218 -0.07764 -0.44075 0.11703 -0.13764 65 7 H 1S 0.00999 0.13730 -0.00002 0.04846 -0.00001 66 2S 0.06569 0.09268 -0.00001 0.11415 -0.00001 67 8 O 1S -0.00684 0.00077 -0.01247 -0.00457 -0.00378 68 2S 0.08051 -0.16954 0.09224 -0.00831 0.00550 69 2PX -0.01577 -0.07262 -0.00403 -0.00797 -0.01593 70 2PY -0.16032 0.18216 -0.28464 0.08658 0.04979 71 2PZ -0.04334 -0.03379 -0.05235 -0.04931 0.06439 72 3S -0.26667 0.62454 -0.39567 0.15564 0.27061 73 3PX 0.03659 0.03191 0.30855 0.04032 0.14024 74 3PY 0.07405 -0.20172 0.03561 -0.04248 -0.05908 75 3PZ 0.05004 -0.15963 -0.11014 -0.07111 -0.05624 76 4XX 0.01502 -0.04568 -0.02722 0.00300 0.02927 77 4YY -0.01477 -0.00489 -0.00372 0.00238 -0.00242 78 4ZZ 0.01620 -0.05295 0.02124 -0.01112 -0.00325 79 4XY -0.00091 -0.00521 -0.06192 -0.00506 -0.01651 80 4XZ 0.02744 -0.04379 0.04620 -0.00008 -0.02622 81 4YZ -0.00169 0.00882 0.01959 -0.00624 -0.00078 82 9 H 1S 0.04578 -0.16920 0.00002 -0.05863 -0.00002 83 2S 0.04783 -0.08224 0.00000 -0.22660 -0.00003 84 10 C 1S -0.00563 0.00196 0.00158 -0.01614 0.03646 85 2S 0.24034 0.12067 -0.02492 0.08100 0.12737 86 2PX 0.24216 0.12729 0.08493 0.17292 0.16650 87 2PY -0.09136 -0.12660 -0.01590 0.25035 0.29916 88 2PZ -0.05661 0.02612 0.08684 -0.04481 -0.04118 89 3S -0.30116 -0.10704 -0.15461 -0.03405 -0.75101 90 3PX -0.16670 -0.13518 -0.20821 -0.08703 -0.26208 91 3PY 0.12903 0.17938 -0.16472 -0.26646 -0.29127 92 3PZ 0.14562 -0.02261 0.23865 -0.02254 0.61158 93 4XX -0.00139 -0.00623 -0.00005 0.00764 -0.02763 94 4YY 0.04609 0.03437 -0.00233 -0.01846 0.06990 95 4ZZ -0.01635 0.00035 -0.00636 0.00427 0.01065 96 4XY -0.00379 -0.00184 0.00231 -0.02933 0.00353 97 4XZ 0.00864 0.01231 -0.00539 -0.01518 -0.02861 98 4YZ -0.03569 -0.00755 0.00002 0.03007 -0.00751 99 11 C 1S 0.00179 0.00641 -0.01239 0.03623 0.00189 100 2S 0.08200 0.08054 0.01306 -0.00535 0.09627 101 2PX 0.14747 -0.04189 0.06969 0.05095 0.06592 102 2PY -0.00072 -0.05708 -0.00179 0.18360 0.07620 103 2PZ 0.09232 -0.06524 0.01902 0.08061 0.33013 104 3S 0.22457 -0.11346 0.40052 0.12240 0.98705 105 3PX -0.20525 0.20526 -0.15658 -0.10522 -0.16704 106 3PY -0.25380 0.02750 -0.21113 -0.21980 -0.74819 107 3PZ -0.09980 0.20473 0.23171 -0.34063 -0.27278 108 4XX 0.01059 0.00345 0.00586 -0.03067 -0.03511 109 4YY -0.03744 0.00001 -0.00461 0.05795 0.03435 110 4ZZ 0.04552 0.02369 -0.00109 0.01564 0.03991 111 4XY -0.02719 -0.00452 -0.01740 -0.03782 -0.04098 112 4XZ -0.03809 -0.01304 -0.00015 -0.04589 -0.04321 113 4YZ 0.00362 0.02368 0.00347 -0.01377 0.00829 114 12 C 1S -0.00371 -0.00176 0.00776 -0.00967 -0.00364 115 2S 0.16898 0.03786 -0.02049 0.09819 0.18359 116 2PX -0.24022 0.03364 -0.04984 -0.27605 -0.23633 117 2PY -0.06821 0.12022 0.04397 0.26242 -0.02341 118 2PZ 0.31578 0.21632 0.03900 0.08071 0.24408 119 3S -0.22586 -0.07167 -0.06306 -0.35902 -0.84406 120 3PX 0.27798 -0.07944 0.11523 0.36330 0.57250 121 3PY 0.09043 -0.17313 0.08179 -0.35847 0.36800 122 3PZ -0.34647 -0.29625 -0.08850 -0.02495 -0.63986 123 4XX 0.00581 0.04767 -0.01010 0.00006 0.01471 124 4YY 0.03998 -0.01683 0.00314 -0.02773 -0.00234 125 4ZZ -0.01973 -0.02368 0.00547 0.01839 -0.00924 126 4XY -0.00559 0.01681 0.00019 0.01247 0.00697 127 4XZ -0.02069 0.00014 -0.00986 0.00232 0.00233 128 4YZ 0.01687 0.03142 0.00036 -0.03902 -0.00754 129 13 C 1S -0.00371 -0.00176 -0.00776 -0.00967 0.00365 130 2S 0.16896 0.03786 0.02050 0.09815 -0.18361 131 2PX -0.24026 0.03367 0.04979 -0.27608 0.23640 132 2PY 0.06815 -0.12022 0.04402 -0.26249 -0.02328 133 2PZ 0.31572 0.21629 -0.03902 0.08065 -0.24407 134 3S -0.22581 -0.07172 0.06307 -0.35884 0.84414 135 3PX 0.27802 -0.07952 -0.11518 0.36327 -0.57264 136 3PY -0.09035 0.17308 0.08170 0.35864 0.36775 137 3PZ -0.34638 -0.29625 0.08856 -0.02478 0.63982 138 4XX 0.00582 0.04768 0.01009 0.00006 -0.01471 139 4YY 0.03998 -0.01683 -0.00313 -0.02773 0.00235 140 4ZZ -0.01974 -0.02369 -0.00546 0.01840 0.00924 141 4XY 0.00559 -0.01681 0.00019 -0.01246 0.00697 142 4XZ -0.02068 0.00016 0.00985 0.00230 -0.00234 143 4YZ -0.01687 -0.03142 0.00037 0.03902 -0.00754 144 14 C 1S 0.00179 0.00641 0.01238 0.03623 -0.00189 145 2S 0.08197 0.08052 -0.01308 -0.00538 -0.09630 146 2PX 0.14743 -0.04195 -0.06966 0.05101 -0.06593 147 2PY 0.00072 0.05709 -0.00182 -0.18362 0.07624 148 2PZ 0.09228 -0.06520 -0.01901 0.08056 -0.33019 149 3S 0.22449 -0.11327 -0.40044 0.12227 -0.98703 150 3PX -0.20520 0.20531 0.15648 -0.10533 0.16712 151 3PY 0.25374 -0.02743 -0.21101 0.21973 -0.74818 152 3PZ -0.09975 0.20485 -0.23177 -0.34069 0.27278 153 4XX 0.01060 0.00345 -0.00586 -0.03067 0.03511 154 4YY -0.03745 0.00001 0.00460 0.05794 -0.03436 155 4ZZ 0.04552 0.02368 0.00109 0.01564 -0.03992 156 4XY 0.02720 0.00452 -0.01739 0.03782 -0.04099 157 4XZ -0.03808 -0.01304 0.00014 -0.04588 0.04320 158 4YZ -0.00364 -0.02369 0.00348 0.01378 0.00830 159 15 C 1S -0.00563 0.00197 -0.00158 -0.01615 -0.03646 160 2S 0.24032 0.12068 0.02489 0.08100 -0.12748 161 2PX 0.24214 0.12722 -0.08494 0.17297 -0.16654 162 2PY 0.09141 0.12660 -0.01592 -0.25032 0.29914 163 2PZ -0.05659 0.02613 -0.08686 -0.04484 0.04123 164 3S -0.30109 -0.10727 0.15459 -0.03384 0.75107 165 3PX -0.16668 -0.13515 0.20824 -0.08701 0.26209 166 3PY -0.12913 -0.17933 -0.16462 0.26645 -0.29115 167 3PZ 0.14553 -0.02244 -0.23864 -0.02267 -0.61159 168 4XX -0.00139 -0.00624 0.00006 0.00764 0.02763 169 4YY 0.04607 0.03437 0.00232 -0.01845 -0.06991 170 4ZZ -0.01634 0.00036 0.00635 0.00426 -0.01066 171 4XY 0.00378 0.00184 0.00230 0.02934 0.00353 172 4XZ 0.00864 0.01231 0.00539 -0.01517 0.02862 173 4YZ 0.03570 0.00755 0.00002 -0.03008 -0.00753 174 16 H 1S -0.12789 -0.05388 -0.01344 0.12748 0.16209 175 2S 0.09595 0.02654 -0.10868 -0.04065 -0.09921 176 17 H 1S -0.12418 -0.02848 -0.01482 0.33760 0.17956 177 2S 0.21032 0.09027 0.04631 -0.05248 0.22147 178 18 H 1S -0.14551 -0.15835 0.01567 0.11124 -0.09412 179 2S 0.08331 0.04412 0.01415 0.02266 -0.12918 180 19 H 1S -0.14553 -0.15835 -0.01564 0.11126 0.09410 181 2S 0.08330 0.04408 -0.01413 0.02269 0.12915 182 20 H 1S -0.12421 -0.02848 0.01483 0.33758 -0.17957 183 2S 0.21031 0.09030 -0.04632 -0.05253 -0.22147 184 21 H 1S -0.12791 -0.05385 0.01344 0.12745 -0.16213 185 2S 0.09594 0.02651 0.10868 -0.04059 0.09919 186 22 H 1S -0.01806 0.14796 -0.02516 0.01411 0.05040 187 2S 0.03869 -0.08087 0.01900 -0.02942 -0.08263 188 23 H 1S -0.01804 0.14798 0.02512 0.01410 -0.05041 189 2S 0.03868 -0.08088 -0.01898 -0.02936 0.08262 76 77 78 79 80 V V V V V Eigenvalues -- 0.58250 0.58292 0.60597 0.62645 0.64668 1 1 C 1S 0.01702 0.01939 -0.01706 0.00679 0.02229 2 2S 0.28979 0.06033 -0.03845 0.11541 0.01576 3 2PX -0.15151 -0.41026 -0.01952 0.05577 -0.07499 4 2PY 0.17219 -0.32113 -0.18695 -0.12280 -0.33192 5 2PZ 0.13818 0.13255 0.03312 0.06751 0.14268 6 3S -0.15853 -0.37773 -0.12918 -0.36425 0.14460 7 3PX 0.43887 1.05257 0.00347 0.00397 0.24987 8 3PY -0.46854 0.06320 0.39706 0.31331 0.76195 9 3PZ -0.24956 -0.11268 0.04093 0.04650 -0.13331 10 4XX 0.01781 -0.03011 -0.01017 -0.01020 -0.04524 11 4YY 0.04838 0.05354 -0.02622 -0.00999 0.06453 12 4ZZ -0.02165 -0.02945 -0.00096 0.03994 -0.00357 13 4XY -0.03361 0.00069 -0.00221 -0.00515 0.00137 14 4XZ -0.02816 0.00437 0.00235 -0.01021 -0.00388 15 4YZ 0.02361 0.01283 -0.00916 0.05939 0.00984 16 2 C 1S 0.01714 -0.01929 -0.01706 0.00680 -0.02229 17 2S 0.29016 -0.05858 -0.03845 0.11547 -0.01572 18 2PX -0.15394 0.40945 -0.01953 0.05567 0.07497 19 2PY -0.17027 -0.32211 0.18696 0.12292 -0.33182 20 2PZ 0.13898 -0.13176 0.03316 0.06757 -0.14267 21 3S -0.16095 0.37671 -0.12917 -0.36436 -0.14481 22 3PX 0.44515 -1.05006 0.00352 0.00423 -0.24982 23 3PY 0.46826 0.06590 -0.39708 -0.31349 0.76172 24 3PZ -0.25030 0.11125 0.04086 0.04636 0.13334 25 4XX 0.01762 0.03021 -0.01017 -0.01021 0.04523 26 4YY 0.04871 -0.05325 -0.02621 -0.00995 -0.06454 27 4ZZ -0.02183 0.02933 -0.00096 0.03993 0.00359 28 4XY 0.03361 0.00088 0.00221 0.00515 0.00138 29 4XZ -0.02813 -0.00454 0.00235 -0.01021 0.00388 30 4YZ -0.02369 0.01266 0.00916 -0.05940 0.00982 31 3 C 1S 0.01338 0.00004 -0.00393 0.00911 0.00000 32 2S -0.13389 -0.00039 0.01477 -0.00607 0.00000 33 2PX -0.31958 -0.00097 0.04696 -0.11429 -0.00001 34 2PY -0.00089 0.28185 0.00000 0.00000 0.00404 35 2PZ 0.28018 0.00082 -0.03450 0.08452 0.00000 36 3S 0.20411 0.00058 0.07410 -0.04476 -0.00001 37 3PX 1.22983 0.00367 -0.08590 0.44171 0.00007 38 3PY 0.00149 -0.46358 -0.00001 0.00002 -0.04093 39 3PZ -0.95398 -0.00279 0.09769 -0.31162 -0.00001 40 4XX -0.02724 -0.00008 -0.00286 -0.01225 0.00000 41 4YY 0.03110 0.00009 0.00298 -0.02450 0.00000 42 4ZZ 0.03339 0.00010 -0.00042 0.05074 0.00001 43 4XY 0.00001 -0.00163 0.00000 0.00000 0.00913 44 4XZ 0.03159 0.00010 -0.00663 0.01389 0.00001 45 4YZ 0.00006 -0.02011 0.00000 0.00000 0.00020 46 4 O 1S -0.00070 -0.00089 0.00393 -0.00281 -0.00559 47 2S 0.14439 0.07567 -0.02417 0.12862 0.01192 48 2PX -0.02926 -0.06688 -0.01762 0.02364 -0.08602 49 2PY 0.05416 -0.03351 -0.03973 -0.12465 -0.05807 50 2PZ 0.11911 0.08402 0.00201 0.03881 -0.05791 51 3S -0.41870 0.12042 0.05889 -0.22980 0.23269 52 3PX 0.02799 0.06904 0.02945 -0.00903 0.13485 53 3PY -0.09420 0.04880 -0.06802 -0.04129 0.00768 54 3PZ -0.04551 -0.16722 -0.01203 -0.04072 -0.02849 55 4XX 0.04424 0.04146 0.00667 0.04045 0.03516 56 4YY 0.01079 0.01304 -0.00891 0.03628 -0.01872 57 4ZZ 0.05709 0.04105 -0.00433 0.04199 -0.00241 58 4XY 0.02346 0.03599 0.00069 0.02321 0.00374 59 4XZ -0.02201 -0.05870 -0.01144 -0.00160 -0.02439 60 4YZ -0.01663 -0.02161 -0.00409 -0.00720 -0.00298 61 5 H 1S 0.07962 0.11306 -0.04669 0.30005 0.19579 62 2S -0.34544 -0.08537 0.19255 0.04776 0.13957 63 6 H 1S 0.08031 -0.11253 -0.04668 0.30010 -0.19570 64 2S -0.34601 0.08338 0.19255 0.04775 -0.13952 65 7 H 1S 0.20348 0.00061 -0.03743 0.10418 0.00003 66 2S 0.10950 0.00034 0.00857 0.05196 0.00001 67 8 O 1S -0.00071 0.00088 0.00393 -0.00281 0.00559 68 2S 0.14485 -0.07478 -0.02416 0.12860 -0.01190 69 2PX -0.02965 0.06672 -0.01762 0.02359 0.08600 70 2PY -0.05398 -0.03380 0.03973 0.12468 -0.05800 71 2PZ 0.11961 -0.08332 0.00202 0.03881 0.05790 72 3S -0.41796 -0.12295 0.05891 -0.22961 -0.23266 73 3PX 0.02843 -0.06889 0.02945 -0.00897 -0.13481 74 3PY 0.09391 0.04934 0.06802 0.04127 0.00768 75 3PZ -0.04652 0.16694 -0.01203 -0.04074 0.02846 76 4XX 0.04449 -0.04120 0.00667 0.04046 -0.03514 77 4YY 0.01086 -0.01296 -0.00891 0.03627 0.01873 78 4ZZ 0.05734 -0.04070 -0.00433 0.04198 0.00242 79 4XY -0.02368 0.03584 -0.00069 -0.02321 0.00373 80 4XZ -0.02236 0.05857 -0.01145 -0.00162 0.02438 81 4YZ 0.01675 -0.02151 0.00409 0.00721 -0.00298 82 9 H 1S 0.23750 0.00071 -0.02163 0.21999 0.00002 83 2S 0.56465 0.00164 -0.08103 0.10705 0.00000 84 10 C 1S 0.00588 -0.03421 -0.03173 0.01266 0.05547 85 2S 0.12940 0.03455 -0.25533 0.05686 -0.18079 86 2PX -0.27934 0.22282 -0.28204 -0.07761 -0.04375 87 2PY -0.05186 0.00473 0.17026 -0.15612 0.20105 88 2PZ -0.11121 0.03145 -0.37527 0.06259 0.11239 89 3S 0.08274 0.46138 0.36787 -0.53634 0.25862 90 3PX 0.24726 -0.02128 0.26722 -0.01739 -0.05767 91 3PY 0.07537 0.24485 -0.10796 0.23206 -0.45529 92 3PZ -0.01049 -0.70395 0.43463 0.23770 0.19060 93 4XX -0.00732 0.01968 0.00896 -0.02718 -0.03745 94 4YY 0.02017 -0.00664 -0.04867 0.03028 0.04948 95 4ZZ 0.01928 -0.03018 -0.06212 0.00617 0.02546 96 4XY 0.00810 0.00556 0.03206 -0.00824 0.00424 97 4XZ -0.02572 -0.00233 0.07268 0.02849 -0.02729 98 4YZ -0.00021 0.00217 0.00732 0.02142 -0.01832 99 11 C 1S 0.00889 0.00934 0.02908 -0.02169 -0.02630 100 2S 0.08560 -0.05721 -0.18627 -0.03479 0.02400 101 2PX -0.02913 0.31439 0.00975 -0.32411 -0.16988 102 2PY -0.08496 0.13206 0.06476 0.14507 -0.05268 103 2PZ 0.07144 -0.07087 -0.13893 -0.12577 0.36225 104 3S -0.15545 -0.30103 0.35855 0.46937 -0.01189 105 3PX 0.07571 -0.28552 -0.07163 0.30989 0.15381 106 3PY 0.26305 0.03738 -0.04291 -0.97350 0.04407 107 3PZ -0.23980 -0.54047 -0.00881 0.40649 -0.12384 108 4XX -0.00089 0.00088 0.00583 -0.01251 0.01638 109 4YY 0.00432 -0.01008 -0.03165 0.02122 -0.03421 110 4ZZ 0.01254 0.00562 0.03949 -0.02513 -0.01696 111 4XY -0.02276 -0.02072 0.02105 0.01567 0.01089 112 4XZ -0.01225 -0.00585 -0.05174 -0.02294 0.04421 113 4YZ 0.00255 -0.00999 -0.01166 0.02275 0.01010 114 12 C 1S -0.00590 0.00316 -0.01173 0.00305 -0.02000 115 2S 0.00932 -0.03725 0.07002 0.06126 0.05896 116 2PX -0.01144 -0.09694 -0.13853 -0.11844 0.17769 117 2PY 0.27879 0.02823 0.09682 -0.27443 -0.27641 118 2PZ -0.03315 0.05745 0.14590 0.15843 -0.13698 119 3S -0.24867 0.11799 -0.03661 0.09666 -0.38008 120 3PX 0.02037 0.28212 0.27183 0.31585 -0.48861 121 3PY -0.49826 -0.34523 -0.07031 0.64308 0.55966 122 3PZ 0.09956 -0.11596 -0.24099 -0.47754 0.39472 123 4XX 0.01873 -0.01550 0.00730 -0.02496 -0.00749 124 4YY -0.05392 0.00779 0.01428 0.06545 -0.03100 125 4ZZ 0.01852 0.00045 -0.01550 -0.01611 0.01498 126 4XY -0.01110 -0.00929 -0.01495 0.03493 0.00994 127 4XZ 0.01946 -0.01841 -0.00465 -0.02933 0.03332 128 4YZ 0.00123 0.00668 0.01441 -0.03396 -0.00650 129 13 C 1S -0.00588 -0.00320 -0.01173 0.00303 0.01999 130 2S 0.00904 0.03733 0.07003 0.06137 -0.05894 131 2PX -0.01193 0.09678 -0.13853 -0.11853 -0.17774 132 2PY -0.27900 0.02652 -0.09683 0.27459 -0.27640 133 2PZ -0.03287 -0.05763 0.14590 0.15843 0.13701 134 3S -0.24770 -0.11956 -0.03669 0.09622 0.38010 135 3PX 0.02182 -0.28185 0.27186 0.31613 0.48875 136 3PY 0.50039 -0.34222 0.07026 -0.64325 0.55961 137 3PZ 0.09905 0.11651 -0.24101 -0.47754 -0.39481 138 4XX 0.01863 0.01560 0.00731 -0.02495 0.00749 139 4YY -0.05386 -0.00812 0.01428 0.06542 0.03102 140 4ZZ 0.01853 -0.00032 -0.01550 -0.01609 -0.01499 141 4XY 0.01116 -0.00924 0.01495 -0.03494 0.00994 142 4XZ 0.01935 0.01852 -0.00464 -0.02932 -0.03332 143 4YZ -0.00128 0.00669 -0.01440 0.03397 -0.00648 144 14 C 1S 0.00894 -0.00928 0.02908 -0.02169 0.02630 145 2S 0.08524 0.05769 -0.18623 -0.03484 -0.02402 146 2PX -0.02723 -0.31458 0.00977 -0.32421 0.16976 147 2PY 0.08419 0.13245 -0.06474 -0.14513 -0.05264 148 2PZ 0.07100 0.07132 -0.13889 -0.12571 -0.36228 149 3S -0.15733 0.30016 0.35861 0.46935 0.01206 150 3PX 0.07397 0.28594 -0.07167 0.30999 -0.15370 151 3PY -0.26336 0.03583 0.04301 0.97352 0.04431 152 3PZ -0.24288 0.53898 -0.00880 0.40630 0.12392 153 4XX -0.00088 -0.00089 0.00583 -0.01251 -0.01638 154 4YY 0.00425 0.01013 -0.03165 0.02122 0.03421 155 4ZZ 0.01256 -0.00555 0.03950 -0.02514 0.01696 156 4XY 0.02288 -0.02057 -0.02104 -0.01567 0.01089 157 4XZ -0.01227 0.00576 -0.05175 -0.02294 -0.04422 158 4YZ -0.00249 -0.01000 0.01164 -0.02274 0.01009 159 15 C 1S 0.00568 0.03424 -0.03173 0.01267 -0.05547 160 2S 0.12957 -0.03379 -0.25533 0.05684 0.18081 161 2PX -0.27804 -0.22452 -0.28199 -0.07765 0.04375 162 2PY 0.05190 0.00496 -0.17026 0.15603 0.20112 163 2PZ -0.11098 -0.03214 -0.37527 0.06258 -0.11234 164 3S 0.08556 -0.46089 0.36779 -0.53617 -0.25873 165 3PX 0.24716 0.02281 0.26716 -0.01727 0.05766 166 3PY -0.07676 0.24437 0.10797 -0.23217 -0.45535 167 3PZ -0.01472 0.70393 0.43472 0.23754 -0.19061 168 4XX -0.00720 -0.01972 0.00896 -0.02719 0.03744 169 4YY 0.02011 0.00675 -0.04866 0.03030 -0.04946 170 4ZZ 0.01910 0.03030 -0.06212 0.00617 -0.02547 171 4XY -0.00813 0.00552 -0.03207 0.00823 0.00424 172 4XZ -0.02573 0.00218 0.07267 0.02849 0.02731 173 4YZ 0.00020 0.00215 -0.00732 -0.02141 -0.01833 174 16 H 1S 0.05424 -0.07868 -0.31627 0.09189 0.17410 175 2S 0.01597 0.21885 -0.00293 -0.11509 -0.10992 176 17 H 1S 0.04963 0.01799 -0.06016 0.04097 -0.15378 177 2S -0.08899 -0.05295 0.08309 0.42045 0.05209 178 18 H 1S 0.05012 -0.00896 -0.15018 -0.03702 0.02391 179 2S 0.05588 0.08852 -0.01945 -0.23079 -0.03214 180 19 H 1S 0.05009 0.00930 -0.15020 -0.03702 -0.02391 181 2S 0.05643 -0.08816 -0.01946 -0.23084 0.03203 182 20 H 1S 0.04969 -0.01757 -0.06015 0.04095 0.15378 183 2S -0.08933 0.05237 0.08313 0.42045 -0.05196 184 21 H 1S 0.05374 0.07907 -0.31624 0.09192 -0.17411 185 2S 0.01727 -0.21878 -0.00295 -0.11504 0.10990 186 22 H 1S 0.04370 -0.01049 -0.09632 -0.10363 -0.02479 187 2S -0.00655 0.09279 -0.08771 -0.14013 0.04389 188 23 H 1S 0.04362 0.01074 -0.09631 -0.10367 0.02471 189 2S -0.00597 -0.09284 -0.08773 -0.14019 -0.04394 81 82 83 84 85 V V V V V Eigenvalues -- 0.65172 0.68028 0.69177 0.72548 0.73815 1 1 C 1S 0.00302 -0.01236 0.01251 -0.01722 -0.00357 2 2S 0.14492 0.01087 -0.24299 -0.17813 -0.30947 3 2PX -0.25111 0.24593 0.00245 0.08642 0.33628 4 2PY 0.09182 0.03576 0.19381 0.05981 -0.35315 5 2PZ 0.00417 0.02756 -0.30357 0.10747 0.10841 6 3S -0.82833 0.15688 0.58348 0.73268 1.81407 7 3PX 0.69249 -0.66925 -0.20405 -0.10487 -0.96940 8 3PY -0.46477 -0.11370 -0.42033 -0.34501 1.05973 9 3PZ -0.46844 0.05546 0.52448 0.00364 0.36076 10 4XX 0.01582 0.02126 0.02834 0.00626 -0.02783 11 4YY -0.01910 -0.00450 -0.00310 -0.01199 0.05515 12 4ZZ 0.00200 -0.00772 -0.03120 -0.02418 -0.01515 13 4XY -0.00552 0.00004 0.01238 0.04183 0.01508 14 4XZ 0.01721 -0.01094 -0.01008 -0.00441 -0.00247 15 4YZ -0.00195 -0.00793 0.01282 -0.01985 -0.00174 16 2 C 1S -0.00302 0.01236 0.01251 -0.01722 0.00355 17 2S -0.14490 -0.01089 -0.24291 -0.17828 0.30955 18 2PX 0.25116 -0.24590 0.00239 0.08657 -0.33621 19 2PY 0.09189 0.03578 -0.19389 -0.05964 -0.35319 20 2PZ -0.00412 -0.02758 -0.30364 0.10754 -0.10825 21 3S 0.82823 -0.15690 0.58323 0.73359 -1.81383 22 3PX -0.69250 0.66919 -0.20391 -0.10528 0.96928 23 3PY -0.46499 -0.11375 0.42048 0.34439 1.06007 24 3PZ 0.46840 -0.05544 0.52454 0.00382 -0.36090 25 4XX -0.01583 -0.02125 0.02835 0.00624 0.02783 26 4YY 0.01910 0.00450 -0.00312 -0.01197 -0.05513 27 4ZZ -0.00198 0.00772 -0.03120 -0.02418 0.01513 28 4XY -0.00552 0.00003 -0.01237 -0.04184 0.01501 29 4XZ -0.01721 0.01094 -0.01008 -0.00442 0.00249 30 4YZ -0.00196 -0.00793 -0.01282 0.01985 -0.00169 31 3 C 1S 0.00000 0.00000 0.00618 -0.02053 0.00000 32 2S 0.00000 -0.00001 -0.09207 -0.00949 0.00004 33 2PX -0.00001 0.00000 0.01959 -0.03796 -0.00006 34 2PY -0.01458 0.05933 -0.00001 0.00001 -0.04080 35 2PZ 0.00000 0.00000 0.15455 -0.04678 -0.00013 36 3S -0.00001 0.00001 0.06225 0.10411 -0.00001 37 3PX 0.00002 -0.00003 -0.30961 -0.03023 0.00031 38 3PY 0.01169 -0.09555 0.00003 -0.00005 0.17811 39 3PZ 0.00000 0.00000 -0.41070 0.24265 0.00043 40 4XX 0.00000 0.00000 0.00406 0.01178 0.00002 41 4YY 0.00000 0.00000 -0.02020 0.00829 0.00003 42 4ZZ 0.00001 0.00000 0.01100 -0.04668 -0.00004 43 4XY 0.00650 -0.01354 0.00000 0.00000 -0.00509 44 4XZ 0.00000 0.00000 -0.05213 0.01092 0.00005 45 4YZ -0.00623 -0.00342 0.00000 0.00000 0.00593 46 4 O 1S -0.00306 0.00532 0.00255 0.01048 0.00591 47 2S -0.08954 0.08654 0.03187 -0.03917 0.05296 48 2PX -0.07771 0.11959 0.13651 0.13294 0.06778 49 2PY -0.03031 0.05695 0.09920 0.07875 0.01610 50 2PZ -0.01282 0.13670 0.09674 0.01339 0.01189 51 3S 0.51426 -0.46025 -0.39359 -0.21359 -0.50775 52 3PX 0.13527 -0.12466 -0.21863 -0.22015 -0.19601 53 3PY 0.08223 -0.06047 -0.05740 -0.05991 -0.10752 54 3PZ -0.06456 -0.00465 0.05049 0.05639 0.12981 55 4XX -0.01614 0.00966 -0.03324 -0.01996 0.01823 56 4YY -0.02507 0.03829 0.02545 -0.01239 -0.00105 57 4ZZ -0.01864 0.02237 0.01077 0.00367 0.02304 58 4XY 0.00929 -0.00120 -0.00983 -0.00298 -0.02225 59 4XZ -0.01858 0.00570 0.04168 -0.00043 0.02490 60 4YZ -0.02211 0.01684 0.00350 0.02437 0.04002 61 5 H 1S -0.03764 -0.14253 0.09267 -0.15542 0.00465 62 2S -0.30778 0.04335 -0.05769 -0.10479 0.30461 63 6 H 1S 0.03771 0.14253 0.09264 -0.15538 -0.00499 64 2S 0.30783 -0.04332 -0.05774 -0.10463 -0.30449 65 7 H 1S 0.00000 -0.00001 -0.20244 -0.11885 0.00016 66 2S 0.00001 -0.00001 -0.17284 0.04193 0.00013 67 8 O 1S 0.00306 -0.00532 0.00255 0.01048 -0.00590 68 2S 0.08956 -0.08653 0.03187 -0.03914 -0.05297 69 2PX 0.07772 -0.11958 0.13651 0.13297 -0.06777 70 2PY -0.03027 0.05697 -0.09920 -0.07875 0.01595 71 2PZ 0.01282 -0.13669 0.09675 0.01337 -0.01198 72 3S -0.51428 0.46024 -0.39357 -0.21381 0.50752 73 3PX -0.13527 0.12466 -0.21864 -0.22023 0.19589 74 3PY 0.08223 -0.06046 0.05738 0.05995 -0.10734 75 3PZ 0.06456 0.00465 0.05047 0.05646 -0.12982 76 4XX 0.01615 -0.00966 -0.03325 -0.01995 -0.01822 77 4YY 0.02508 -0.03829 0.02546 -0.01238 0.00101 78 4ZZ 0.01864 -0.02237 0.01077 0.00368 -0.02300 79 4XY 0.00929 -0.00120 0.00982 0.00299 -0.02224 80 4XZ 0.01858 -0.00570 0.04168 -0.00042 -0.02494 81 4YZ -0.02211 0.01684 -0.00349 -0.02439 0.03998 82 9 H 1S 0.00002 0.00000 0.13347 -0.27278 -0.00023 83 2S -0.00002 -0.00002 0.03655 0.00120 0.00003 84 10 C 1S -0.02704 -0.01105 0.00308 0.00262 -0.01280 85 2S 0.03188 -0.07471 -0.11111 0.06392 0.01150 86 2PX -0.20959 0.42524 -0.03937 0.10132 -0.28313 87 2PY -0.11666 -0.02756 0.03269 -0.01835 -0.22136 88 2PZ -0.17567 0.32684 -0.09960 0.03116 -0.05321 89 3S -0.27775 0.33996 -0.06823 0.21080 -0.31262 90 3PX 0.34095 -0.67912 -0.04605 -0.30931 0.49909 91 3PY 0.37528 -0.37659 0.06218 0.11397 0.00563 92 3PZ 0.24951 -0.65714 0.30910 -0.15597 0.61349 93 4XX 0.00578 0.00644 0.00539 -0.00330 0.00987 94 4YY -0.02390 0.00064 -0.01211 0.01486 -0.02901 95 4ZZ -0.01604 -0.01299 -0.00240 0.00506 -0.00717 96 4XY -0.00471 0.00628 0.00836 -0.00299 0.00715 97 4XZ 0.04811 -0.00091 0.02597 -0.00398 0.00669 98 4YZ -0.00862 -0.00424 0.05507 -0.02040 -0.01717 99 11 C 1S 0.01396 -0.00842 0.01429 0.00264 0.00058 100 2S -0.21849 0.01750 -0.19790 -0.20498 0.02596 101 2PX -0.26839 -0.02126 0.00018 -0.60152 0.31934 102 2PY 0.18283 0.00749 0.29999 -0.00473 0.13168 103 2PZ -0.06289 -0.03473 0.04333 0.05525 0.20357 104 3S 0.74021 -0.24374 0.42990 0.65658 0.46677 105 3PX 0.39144 0.13872 0.38480 1.28427 -0.57590 106 3PY -0.61123 0.01710 -0.67403 0.02764 -0.44661 107 3PZ -0.24662 0.38561 0.09338 -0.44623 0.10112 108 4XX -0.00162 0.01036 -0.01113 0.01101 0.01415 109 4YY 0.01557 -0.00525 0.03445 -0.03788 -0.00751 110 4ZZ -0.01443 -0.00481 -0.01711 0.00588 0.01531 111 4XY 0.00392 -0.02113 0.01553 0.00186 -0.02190 112 4XZ -0.03869 0.02207 0.00297 -0.00526 -0.01398 113 4YZ 0.01261 0.02804 0.00586 0.01374 0.01524 114 12 C 1S -0.03344 -0.01268 0.00232 -0.02057 -0.00226 115 2S 0.36321 0.14245 -0.06152 0.07658 0.02997 116 2PX -0.18178 -0.05324 0.11958 -0.02751 -0.17423 117 2PY -0.43164 -0.38023 0.03940 0.27252 -0.05972 118 2PZ 0.18923 0.00878 0.21922 0.14518 0.11638 119 3S -1.35465 -0.49361 -0.19856 -0.88294 -0.04558 120 3PX 0.73023 0.17904 -0.18235 0.18443 0.57236 121 3PY 1.10622 1.17797 -0.02562 -0.60391 0.56087 122 3PZ -0.70727 -0.22578 -0.55611 -0.47787 -0.48956 123 4XX 0.00853 0.02160 0.02302 -0.02160 0.01864 124 4YY -0.03529 -0.03474 -0.01660 -0.01566 -0.00760 125 4ZZ 0.01897 0.01539 -0.02914 0.00281 -0.01239 126 4XY 0.00598 0.00588 0.08187 0.00065 0.00119 127 4XZ 0.00446 -0.02043 0.01862 0.04491 -0.02132 128 4YZ -0.00854 0.00059 0.01216 -0.02206 0.00452 129 13 C 1S 0.03344 0.01269 0.00233 -0.02058 0.00225 130 2S -0.36320 -0.14244 -0.06155 0.07660 -0.02995 131 2PX 0.18180 0.05329 0.11956 -0.02755 0.17415 132 2PY -0.43154 -0.38019 -0.03946 -0.27249 -0.05971 133 2PZ -0.18925 -0.00883 0.21915 0.14519 -0.11633 134 3S 1.35472 0.49366 -0.19860 -0.88303 0.04527 135 3PX -0.73033 -0.17920 -0.18216 0.18460 -0.57214 136 3PY 1.10589 1.17786 0.02588 0.60364 0.56077 137 3PZ 0.70723 0.22592 -0.55606 -0.47795 0.48926 138 4XX -0.00855 -0.02160 0.02303 -0.02160 -0.01865 139 4YY 0.03532 0.03474 -0.01661 -0.01567 0.00760 140 4ZZ -0.01897 -0.01539 -0.02914 0.00282 0.01239 141 4XY 0.00597 0.00586 -0.08187 -0.00066 0.00116 142 4XZ -0.00447 0.02043 0.01862 0.04490 0.02133 143 4YZ -0.00854 0.00059 -0.01216 0.02206 0.00455 144 14 C 1S -0.01397 0.00842 0.01428 0.00264 -0.00060 145 2S 0.21849 -0.01748 -0.19789 -0.20497 -0.02603 146 2PX 0.26828 0.02134 0.00019 -0.60132 -0.31966 147 2PY 0.18283 0.00748 -0.29999 0.00461 0.13158 148 2PZ 0.06288 0.03475 0.04318 0.05537 -0.20355 149 3S -0.74010 0.24374 0.42988 0.65682 -0.46623 150 3PX -0.39133 -0.13885 0.38487 1.28392 0.57647 151 3PY -0.61110 0.01721 0.67410 -0.02722 -0.44594 152 3PZ 0.24667 -0.38558 0.09337 -0.44613 -0.10128 153 4XX 0.00162 -0.01036 -0.01114 0.01102 -0.01416 154 4YY -0.01557 0.00523 0.03446 -0.03788 0.00750 155 4ZZ 0.01442 0.00482 -0.01711 0.00588 -0.01530 156 4XY 0.00391 -0.02113 -0.01553 -0.00185 -0.02190 157 4XZ 0.03868 -0.02207 0.00297 -0.00526 0.01397 158 4YZ 0.01260 0.02804 -0.00585 -0.01375 0.01523 159 15 C 1S 0.02705 0.01105 0.00308 0.00261 0.01281 160 2S -0.03186 0.07471 -0.11108 0.06393 -0.01144 161 2PX 0.20963 -0.42528 -0.03926 0.10109 0.28302 162 2PY -0.11665 -0.02750 -0.03274 0.01848 -0.22125 163 2PZ 0.17570 -0.32687 -0.09959 0.03108 0.05316 164 3S 0.27755 -0.34000 -0.06833 0.21056 0.31249 165 3PX -0.34104 0.67919 -0.04621 -0.30893 -0.49915 166 3PY 0.37530 -0.37671 -0.06241 -0.11399 0.00547 167 3PZ -0.24942 0.65715 0.30894 -0.15551 -0.61331 168 4XX -0.00578 -0.00644 0.00540 -0.00329 -0.00988 169 4YY 0.02391 -0.00064 -0.01209 0.01484 0.02904 170 4ZZ 0.01604 0.01299 -0.00242 0.00506 0.00716 171 4XY -0.00469 0.00628 -0.00836 0.00299 0.00715 172 4XZ -0.04811 0.00092 0.02597 -0.00398 -0.00670 173 4YZ -0.00862 -0.00424 -0.05507 0.02041 -0.01718 174 16 H 1S -0.12491 -0.04826 0.07858 0.01082 -0.11886 175 2S 0.07851 0.20186 -0.22965 0.01109 -0.02329 176 17 H 1S 0.00793 -0.11808 0.09498 -0.08245 -0.11910 177 2S 0.08416 0.02834 0.18088 0.03272 0.15570 178 18 H 1S -0.08928 -0.09931 -0.11473 -0.01204 -0.17249 179 2S -0.27922 -0.27598 -0.11290 -0.12618 -0.24100 180 19 H 1S 0.08925 0.09929 -0.11468 -0.01214 0.17248 181 2S 0.27918 0.27600 -0.11285 -0.12626 0.24083 182 20 H 1S -0.00792 0.11807 0.09503 -0.08251 0.11907 183 2S -0.08406 -0.02831 0.18091 0.03280 -0.15542 184 21 H 1S 0.12494 0.04825 0.07859 0.01076 0.11893 185 2S -0.07853 -0.20188 -0.22967 0.01104 0.02310 186 22 H 1S -0.16706 -0.09443 0.26510 -0.14317 0.00005 187 2S -0.29322 -0.23795 -0.07189 0.08455 -0.29288 188 23 H 1S 0.16701 0.09447 0.26510 -0.14314 -0.00007 189 2S 0.29319 0.23793 -0.07188 0.08441 0.29273 86 87 88 89 90 V V V V V Eigenvalues -- 0.74710 0.76306 0.80486 0.81303 0.82474 1 1 C 1S -0.00482 -0.00630 0.00771 0.00232 -0.02181 2 2S 0.13218 0.14651 -0.06512 0.03756 0.01821 3 2PX -0.01094 0.16307 0.14950 0.09576 0.02932 4 2PY 0.02971 0.09312 -0.45784 -0.11425 0.01705 5 2PZ 0.02765 0.20283 -0.16799 -0.02381 -0.01186 6 3S -0.12748 0.23504 1.02545 -0.13365 0.06211 7 3PX -0.12390 -0.10738 -0.61651 -0.23529 -0.04021 8 3PY -0.12481 -0.32906 1.70499 0.30806 -0.11640 9 3PZ -0.06531 -0.18933 0.36390 0.14835 -0.05683 10 4XX 0.01210 -0.02360 -0.01204 0.02510 -0.04625 11 4YY 0.02136 0.03120 0.07973 -0.01741 0.01785 12 4ZZ -0.01806 0.00371 -0.02497 0.02678 -0.01480 13 4XY 0.07014 0.03951 0.00313 0.00068 0.00225 14 4XZ 0.02711 -0.02694 0.01692 -0.05695 0.05356 15 4YZ -0.05115 0.01244 -0.01771 0.02225 -0.02975 16 2 C 1S -0.00483 -0.00630 -0.00772 0.00232 -0.02181 17 2S 0.13189 0.14648 0.06512 0.03759 0.01826 18 2PX -0.01066 0.16310 -0.14946 0.09574 0.02932 19 2PY -0.02941 -0.09312 -0.45786 0.11415 -0.01694 20 2PZ 0.02774 0.20279 0.16793 -0.02375 -0.01205 21 3S -0.12591 0.23529 -1.02556 -0.13395 0.06239 22 3PX -0.12468 -0.10753 0.61643 -0.23514 -0.04039 23 3PY 0.12397 0.32897 1.70499 -0.30768 0.11580 24 3PZ -0.06503 -0.18911 -0.36375 0.14815 -0.05614 25 4XX 0.01209 -0.02359 0.01202 0.02510 -0.04625 26 4YY 0.02139 0.03120 -0.07973 -0.01742 0.01787 27 4ZZ -0.01807 0.00371 0.02497 0.02678 -0.01479 28 4XY -0.07015 -0.03952 0.00315 -0.00067 -0.00226 29 4XZ 0.02710 -0.02694 -0.01690 -0.05695 0.05356 30 4YZ 0.05116 -0.01244 -0.01772 -0.02226 0.02976 31 3 C 1S 0.01029 -0.01308 0.00001 -0.03637 0.04841 32 2S 0.06048 0.09787 0.00002 -0.29442 0.17748 33 2PX -0.10442 -0.07455 0.00003 -0.33825 -0.11387 34 2PY 0.00002 0.00001 0.00342 0.00002 0.00003 35 2PZ -0.25447 -0.04916 0.00001 -0.54442 -0.68795 36 3S -0.01777 -0.15519 -0.00007 0.67891 -0.44930 37 3PX 0.65980 0.20908 -0.00006 0.61452 0.35078 38 3PY -0.00011 -0.00002 -0.07796 -0.00007 -0.00006 39 3PZ 0.78195 0.14702 -0.00003 1.32637 1.42344 40 4XX 0.05428 -0.01381 0.00001 -0.05377 -0.04497 41 4YY 0.05375 0.03186 0.00000 -0.02642 0.01357 42 4ZZ -0.06081 -0.01816 0.00001 0.01011 0.11151 43 4XY 0.00000 0.00000 -0.01158 0.00000 0.00000 44 4XZ 0.11369 0.00888 0.00000 -0.06828 -0.07691 45 4YZ 0.00001 0.00000 0.01395 0.00000 -0.00001 46 4 O 1S 0.01074 0.00577 -0.00411 0.00802 -0.00382 47 2S 0.03456 -0.02260 0.03047 -0.18140 0.17793 48 2PX -0.04310 0.07614 -0.01807 0.19283 -0.17580 49 2PY 0.16257 0.08071 0.01315 0.04397 -0.02576 50 2PZ -0.07629 0.00934 -0.00089 -0.07577 0.20055 51 3S -0.25866 -0.07784 -0.13721 0.00563 -0.14742 52 3PX -0.05320 -0.11343 0.10039 -0.26610 0.11904 53 3PY -0.19184 -0.03880 -0.12400 -0.23153 0.13614 54 3PZ -0.04970 0.02480 -0.02619 -0.06401 -0.31845 55 4XX 0.00697 0.00828 0.01902 -0.04716 0.07345 56 4YY -0.02044 -0.01746 -0.02966 -0.06179 0.06073 57 4ZZ 0.04613 -0.01043 0.01716 -0.05523 0.03657 58 4XY -0.01373 -0.00860 -0.03109 0.02246 -0.03532 59 4XZ -0.03088 -0.00712 0.00348 0.03575 0.00758 60 4YZ 0.03916 0.01438 0.01024 -0.03354 -0.02396 61 5 H 1S -0.30465 0.03178 -0.15996 0.11613 -0.23272 62 2S 0.30886 -0.22577 0.76529 0.03727 0.12782 63 6 H 1S -0.30467 0.03175 0.15992 0.11617 -0.23276 64 2S 0.30909 -0.22570 -0.76522 0.03705 0.12836 65 7 H 1S 0.42958 -0.10596 0.00007 -0.53916 -0.10194 66 2S 0.18981 0.23688 -0.00006 1.03446 1.09325 67 8 O 1S 0.01075 0.00577 0.00410 0.00802 -0.00382 68 2S 0.03459 -0.02259 -0.03039 -0.18141 0.17795 69 2PX -0.04304 0.07615 0.01798 0.19283 -0.17581 70 2PY -0.16258 -0.08072 0.01318 -0.04395 0.02573 71 2PZ -0.07629 0.00934 0.00092 -0.07578 0.20051 72 3S -0.25906 -0.07795 0.13719 0.00569 -0.14760 73 3PX -0.05337 -0.11349 -0.10027 -0.26611 0.11901 74 3PY 0.19192 0.03883 -0.12407 0.23149 -0.13604 75 3PZ -0.04958 0.02482 0.02614 -0.06399 -0.31845 76 4XX 0.00698 0.00828 -0.01900 -0.04716 0.07346 77 4YY -0.02044 -0.01746 0.02968 -0.06178 0.06073 78 4ZZ 0.04614 -0.01042 -0.01715 -0.05523 0.03658 79 4XY 0.01375 0.00860 -0.03109 -0.02247 0.03533 80 4XZ -0.03085 -0.00711 -0.00349 0.03574 0.00759 81 4YZ -0.03920 -0.01439 0.01024 0.03354 0.02396 82 9 H 1S -0.32999 -0.14077 0.00006 0.00724 0.76018 83 2S 0.03564 0.06893 -0.00001 -1.06683 -1.32137 84 10 C 1S 0.01222 -0.02003 -0.02024 0.01430 0.00356 85 2S -0.02237 0.21874 0.05081 -0.07758 -0.04128 86 2PX -0.22102 0.07112 0.06551 -0.17876 0.09744 87 2PY -0.11372 0.16095 0.17428 -0.23603 -0.00292 88 2PZ -0.05020 -0.20226 0.02547 -0.05904 -0.06325 89 3S -0.27139 -0.95280 0.57504 0.97473 -0.19770 90 3PX 0.16976 -0.23196 -0.28366 0.25699 -0.19316 91 3PY 0.25402 -0.45444 -0.64318 0.65022 -0.08946 92 3PZ 0.39423 0.45489 -0.66261 -0.05488 0.20516 93 4XX -0.02254 0.02451 0.00099 -0.04548 0.00858 94 4YY 0.01614 -0.00380 0.02834 0.01701 -0.00642 95 4ZZ 0.00169 -0.02141 -0.02642 0.02659 -0.00917 96 4XY -0.00061 -0.02102 -0.00259 0.02251 -0.01103 97 4XZ -0.00214 -0.00216 0.01637 -0.00748 -0.01045 98 4YZ 0.05013 0.05558 -0.00007 -0.02724 0.02499 99 11 C 1S -0.01330 0.00256 0.01210 -0.01071 -0.00455 100 2S -0.02115 0.13456 -0.15468 0.27157 -0.12696 101 2PX 0.05405 -0.03448 -0.34002 0.02889 -0.08320 102 2PY 0.28871 -0.10278 0.08671 -0.12303 0.03058 103 2PZ 0.05042 -0.55742 -0.16223 0.18845 -0.06283 104 3S 0.25813 0.13569 0.58158 -0.73575 0.49473 105 3PX -0.13901 -0.12687 1.21172 -0.01494 0.14560 106 3PY -1.04274 -0.00957 -0.02330 0.13523 -0.10993 107 3PZ 0.15795 1.26007 -0.06867 -0.78508 0.23270 108 4XX -0.01098 -0.03176 0.02418 -0.00885 0.00132 109 4YY 0.03195 0.02715 -0.03337 0.01843 -0.01718 110 4ZZ -0.01939 0.03467 0.01518 -0.00201 0.00396 111 4XY -0.00145 0.00035 -0.01275 -0.00435 0.00288 112 4XZ 0.00290 -0.00951 -0.01783 -0.00125 0.00678 113 4YZ 0.00553 -0.04401 0.00464 0.01691 -0.00798 114 12 C 1S 0.00492 0.02119 -0.00062 0.00547 -0.00248 115 2S -0.06883 0.08092 -0.01305 0.05600 0.04214 116 2PX -0.04983 0.18926 0.01349 0.01735 -0.02773 117 2PY -0.14841 -0.13634 0.22720 0.00293 0.03284 118 2PZ 0.05476 -0.02909 0.38733 -0.06985 -0.03290 119 3S 0.26760 0.14585 0.07872 -0.35960 -0.14376 120 3PX 0.21973 -0.65389 0.23018 0.01016 0.03137 121 3PY 0.45947 0.15008 -1.04901 -0.17397 -0.05982 122 3PZ -0.30518 0.14130 -1.30882 0.19099 -0.01567 123 4XX -0.00634 0.02777 -0.04700 0.02608 0.00363 124 4YY 0.01691 0.00218 0.01878 -0.00963 0.00599 125 4ZZ -0.01475 0.00980 0.02142 -0.00799 -0.00602 126 4XY 0.04705 0.00060 -0.00244 -0.00566 0.01018 127 4XZ -0.01872 -0.00568 0.01295 0.00611 0.01203 128 4YZ -0.02499 0.04249 -0.01033 0.00551 0.01623 129 13 C 1S 0.00492 0.02120 0.00061 0.00547 -0.00248 130 2S -0.06882 0.08091 0.01305 0.05603 0.04209 131 2PX -0.05006 0.18925 -0.01353 0.01736 -0.02755 132 2PY 0.14843 0.13639 0.22724 -0.00291 -0.03276 133 2PZ 0.05478 -0.02903 -0.38737 -0.06987 -0.03279 134 3S 0.26771 0.14572 -0.07853 -0.35975 -0.14365 135 3PX 0.22047 -0.65385 -0.23013 0.01014 0.03075 136 3PY -0.45975 -0.15041 -1.04927 0.17382 0.05941 137 3PZ -0.30534 0.14103 1.30880 0.19101 -0.01588 138 4XX -0.00632 0.02778 0.04700 0.02609 0.00362 139 4YY 0.01689 0.00218 -0.01877 -0.00963 0.00598 140 4ZZ -0.01475 0.00979 -0.02143 -0.00800 -0.00601 141 4XY -0.04705 -0.00060 -0.00243 0.00566 -0.01017 142 4XZ -0.01875 -0.00568 -0.01295 0.00612 0.01203 143 4YZ 0.02498 -0.04249 -0.01035 -0.00552 -0.01623 144 14 C 1S -0.01329 0.00256 -0.01210 -0.01071 -0.00455 145 2S -0.02111 0.13457 0.15462 0.27160 -0.12692 146 2PX 0.05437 -0.03439 0.34002 0.02891 -0.08316 147 2PY -0.28883 0.10281 0.08672 0.12297 -0.03061 148 2PZ 0.05050 -0.55741 0.16223 0.18855 -0.06293 149 3S 0.25827 0.13590 -0.58140 -0.73574 0.49460 150 3PX -0.13967 -0.12704 -1.21190 -0.01497 0.14542 151 3PY 1.04295 0.00967 -0.02346 -0.13493 0.11002 152 3PZ 0.15809 1.26021 0.06882 -0.78519 0.23325 153 4XX -0.01096 -0.03177 -0.02418 -0.00885 0.00132 154 4YY 0.03195 0.02714 0.03336 0.01843 -0.01718 155 4ZZ -0.01938 0.03469 -0.01519 -0.00202 0.00397 156 4XY 0.00147 -0.00035 -0.01275 0.00435 -0.00288 157 4XZ 0.00289 -0.00951 0.01783 -0.00125 0.00678 158 4YZ -0.00552 0.04401 0.00465 -0.01691 0.00799 159 15 C 1S 0.01221 -0.02003 0.02024 0.01431 0.00355 160 2S -0.02235 0.21877 -0.05085 -0.07754 -0.04117 161 2PX -0.22122 0.07110 -0.06548 -0.17873 0.09742 162 2PY 0.11382 -0.16088 0.17427 0.23616 0.00294 163 2PZ -0.05024 -0.20234 -0.02542 -0.05893 -0.06325 164 3S -0.27145 -0.95317 -0.57518 0.97434 -0.19809 165 3PX 0.17026 -0.23195 0.28366 0.25692 -0.19314 166 3PY -0.25399 0.45426 -0.64316 -0.65060 0.08965 167 3PZ 0.39447 0.45527 0.66252 -0.05495 0.20519 168 4XX -0.02253 0.02451 -0.00098 -0.04548 0.00858 169 4YY 0.01615 -0.00378 -0.02835 0.01699 -0.00641 170 4ZZ 0.00167 -0.02144 0.02642 0.02661 -0.00918 171 4XY 0.00061 0.02102 -0.00257 -0.02251 0.01103 172 4XZ -0.00213 -0.00215 -0.01638 -0.00749 -0.01045 173 4YZ -0.05011 -0.05557 -0.00009 0.02725 -0.02499 174 16 H 1S 0.15962 -0.03614 -0.01133 0.02828 0.08470 175 2S -0.32050 -0.11174 0.43467 -0.20992 -0.17875 176 17 H 1S 0.03187 0.13874 -0.02176 0.04555 -0.05993 177 2S 0.43280 -0.05377 0.10148 0.00565 0.03180 178 18 H 1S -0.01810 0.08883 0.17662 -0.00370 -0.05372 179 2S -0.26082 0.15213 -0.54920 0.21726 0.07981 180 19 H 1S -0.01822 0.08880 -0.17672 -0.00376 -0.05366 181 2S -0.26089 0.15204 0.54931 0.21727 0.07952 182 20 H 1S 0.03178 0.13876 0.02176 0.04549 -0.05993 183 2S 0.43290 -0.05364 -0.10158 0.00576 0.03187 184 21 H 1S 0.15955 -0.03616 0.01138 0.02827 0.08467 185 2S -0.32042 -0.11181 -0.43469 -0.21002 -0.17860 186 22 H 1S 0.05699 0.24699 -0.19033 0.11707 0.02698 187 2S -0.20348 0.20510 0.36141 -0.02044 -0.04379 188 23 H 1S 0.05695 0.24701 0.19035 0.11711 0.02695 189 2S -0.20377 0.20503 -0.36151 -0.02049 -0.04352 91 92 93 94 95 V V V V V Eigenvalues -- 0.83568 0.84782 0.84912 0.85912 0.86660 1 1 C 1S 0.01140 0.01841 0.01118 -0.00751 -0.00192 2 2S -0.20704 -0.10835 -0.01765 -0.17931 -0.03697 3 2PX 0.03434 -0.28141 0.01697 0.14913 0.06429 4 2PY 0.07554 0.17978 0.09742 -0.06858 -0.29329 5 2PZ 0.43102 0.18645 0.20927 -0.07118 -0.13766 6 3S -0.14330 0.27412 -0.03011 0.21999 0.57096 7 3PX 0.25684 0.44012 0.06797 -0.38576 -0.27742 8 3PY -0.86421 -0.36968 -0.06391 0.12895 0.85345 9 3PZ -1.63444 -0.45342 -0.71922 0.25948 0.42890 10 4XX -0.00627 -0.00615 -0.03307 0.03814 0.01769 11 4YY -0.02542 0.00690 -0.00861 -0.02731 0.03879 12 4ZZ -0.02270 -0.01030 0.03381 -0.01445 -0.03353 13 4XY -0.00160 -0.00520 -0.01219 -0.00302 0.01095 14 4XZ 0.01040 -0.01902 -0.00455 0.00249 0.01685 15 4YZ 0.00334 0.01474 0.00898 0.03396 -0.01822 16 2 C 1S -0.01141 0.01833 -0.01129 -0.00751 0.00193 17 2S 0.20713 -0.10804 0.01821 -0.17921 0.03736 18 2PX -0.03412 -0.28155 -0.01537 0.14904 -0.06456 19 2PY 0.07576 -0.17919 0.09846 0.06824 -0.29335 20 2PZ -0.43119 0.18485 -0.21026 -0.07101 0.13762 21 3S 0.14294 0.27426 0.02862 0.21896 -0.57161 22 3PX -0.25718 0.43957 -0.07041 -0.38530 0.27795 23 3PY -0.86481 0.36877 -0.06610 -0.12779 0.85357 24 3PZ 1.63478 -0.44774 0.72165 0.25891 -0.42896 25 4XX 0.00629 -0.00595 0.03310 0.03812 -0.01772 26 4YY 0.02540 0.00697 0.00856 -0.02735 -0.03874 27 4ZZ 0.02272 -0.01047 -0.03374 -0.01441 0.03354 28 4XY -0.00161 0.00513 -0.01220 0.00304 0.01092 29 4XZ -0.01040 -0.01900 0.00464 0.00247 -0.01684 30 4YZ 0.00334 -0.01469 0.00906 -0.03399 -0.01816 31 3 C 1S 0.00000 -0.02393 0.00006 0.02832 -0.00002 32 2S -0.00017 0.31744 -0.00095 -0.59434 0.00049 33 2PX 0.00010 -0.19446 0.00054 0.21523 -0.00016 34 2PY -0.00076 0.00000 -0.00219 0.00001 0.00928 35 2PZ 0.00021 -0.19912 0.00057 -0.11677 0.00012 36 3S 0.00036 -0.61766 0.00188 1.22537 -0.00104 37 3PX -0.00025 0.53336 -0.00152 -0.49981 0.00040 38 3PY -0.00698 -0.00029 -0.09534 -0.00002 -0.00535 39 3PZ -0.00038 0.29090 -0.00085 0.49346 -0.00046 40 4XX 0.00004 -0.06532 0.00018 0.07533 -0.00006 41 4YY -0.00002 0.06303 -0.00018 -0.11124 0.00009 42 4ZZ -0.00003 0.01436 -0.00005 -0.00164 0.00000 43 4XY -0.00331 0.00003 0.01039 0.00000 -0.00182 44 4XZ 0.00004 -0.04601 0.00012 0.02625 -0.00001 45 4YZ -0.00987 0.00002 0.00671 -0.00001 -0.00534 46 4 O 1S -0.00563 -0.00135 -0.00254 0.00109 -0.00061 47 2S -0.05967 -0.08358 0.03956 0.04952 0.06783 48 2PX 0.03272 0.06121 -0.02024 -0.04893 0.04439 49 2PY 0.00382 0.03334 -0.04192 -0.02105 -0.01545 50 2PZ 0.10960 0.02571 -0.01490 0.00319 0.06113 51 3S 0.44820 0.32659 0.10578 -0.32781 -0.21264 52 3PX 0.13629 -0.03377 0.13984 -0.02743 -0.06195 53 3PY 0.10127 0.06217 0.04486 -0.04684 -0.03200 54 3PZ -0.04450 -0.06609 0.00041 -0.00492 -0.05706 55 4XX -0.01362 0.00679 0.03784 -0.04698 0.01167 56 4YY -0.01388 -0.03630 0.01546 0.05670 -0.00094 57 4ZZ -0.01919 -0.04034 -0.01263 0.02835 0.03897 58 4XY 0.01598 -0.01919 0.01334 0.03675 -0.01764 59 4XZ -0.00865 -0.01956 0.00048 0.02891 -0.01100 60 4YZ 0.00542 -0.02712 -0.01170 0.00723 0.01495 61 5 H 1S 0.01649 0.09854 0.22807 0.00683 -0.23068 62 2S -1.13666 -0.48710 -0.52066 0.13404 0.63620 63 6 H 1S -0.01649 0.09723 -0.22855 0.00707 0.23060 64 2S 1.13709 -0.48309 0.52323 0.13331 -0.63604 65 7 H 1S 0.00022 -0.40978 0.00111 0.47347 -0.00034 66 2S -0.00059 0.92106 -0.00262 -0.78903 0.00059 67 8 O 1S 0.00563 -0.00133 0.00255 0.00109 0.00061 68 2S 0.05967 -0.08375 -0.03915 0.04945 -0.06788 69 2PX -0.03273 0.06130 0.01993 -0.04898 -0.04428 70 2PY 0.00381 -0.03359 -0.04171 0.02103 -0.01547 71 2PZ -0.10972 0.02568 0.01470 0.00313 -0.06109 72 3S -0.44843 0.32556 -0.10751 -0.32751 0.21304 73 3PX -0.13626 -0.03472 -0.13964 -0.02734 0.06192 74 3PY 0.10143 -0.06182 0.04521 0.04677 -0.03204 75 3PZ 0.04468 -0.06604 0.00001 -0.00489 0.05703 76 4XX 0.01359 0.00658 -0.03789 -0.04699 -0.01159 77 4YY 0.01388 -0.03637 -0.01526 0.05670 0.00085 78 4ZZ 0.01921 -0.04025 0.01283 0.02831 -0.03898 79 4XY 0.01595 0.01928 0.01322 -0.03678 -0.01758 80 4XZ 0.00867 -0.01956 -0.00036 0.02892 0.01095 81 4YZ 0.00539 0.02706 -0.01185 -0.00720 0.01496 82 9 H 1S -0.00013 -0.00196 -0.00004 0.18047 -0.00014 83 2S 0.00026 -0.02416 0.00007 -0.75983 0.00068 84 10 C 1S 0.01251 -0.01441 0.01508 0.00237 0.02009 85 2S -0.25393 0.11423 0.04124 0.05271 -0.19903 86 2PX -0.03023 -0.02706 0.33338 0.01762 0.18902 87 2PY 0.35202 0.15072 -0.43481 -0.10269 -0.09673 88 2PZ -0.04058 0.08822 -0.27580 -0.19423 -0.45517 89 3S 1.50834 -0.57915 -1.44908 0.40495 -0.16909 90 3PX 0.19900 0.10921 -1.39384 -0.03600 -0.57368 91 3PY -0.79518 -0.32612 1.95076 0.34707 0.59459 92 3PZ -0.26957 -0.11943 1.49259 0.25408 1.43834 93 4XX -0.01687 0.01194 0.00999 -0.03514 -0.01868 94 4YY 0.04399 0.00400 -0.06334 0.01868 -0.03644 95 4ZZ -0.02805 -0.01548 0.01942 0.01811 0.00622 96 4XY -0.00169 -0.00056 0.00843 0.02050 -0.01837 97 4XZ 0.02264 0.01510 -0.00494 0.01950 -0.03007 98 4YZ -0.00639 -0.00054 -0.00574 0.00662 0.04854 99 11 C 1S 0.01293 0.01205 -0.00773 0.00058 0.02483 100 2S -0.06631 -0.00542 -0.06926 0.09003 -0.23061 101 2PX -0.13263 0.14384 -0.25073 0.02729 0.02280 102 2PY 0.00023 0.17160 0.24062 -0.04592 -0.23508 103 2PZ 0.00501 -0.02301 0.16221 0.01884 -0.12390 104 3S 0.32113 -0.20395 1.44551 -0.05963 0.78232 105 3PX 0.48962 -0.31745 1.39837 0.19588 -0.30446 106 3PY 0.28815 -0.28244 -1.22317 0.00002 0.25808 107 3PZ -0.74802 0.38881 -0.48798 -0.32960 0.36079 108 4XX 0.03973 0.01098 -0.01079 0.01115 -0.05055 109 4YY -0.04021 0.00999 -0.00029 -0.00265 0.08247 110 4ZZ 0.01087 -0.00414 0.03243 0.00406 -0.03978 111 4XY -0.00200 -0.00947 0.03199 0.01349 -0.00921 112 4XZ -0.03137 0.00025 -0.00021 -0.00556 0.00510 113 4YZ 0.00529 -0.00708 0.00129 -0.00989 -0.04974 114 12 C 1S -0.00709 -0.00210 -0.00894 0.01126 -0.00079 115 2S 0.15882 -0.23652 0.11096 0.18717 -0.05352 116 2PX -0.38897 0.16776 -0.00387 0.39031 -0.18637 117 2PY 0.22263 -0.09757 0.18045 0.04235 -0.14432 118 2PZ -0.24048 0.31142 0.15209 0.28292 -0.18855 119 3S -0.14461 0.88349 -0.87567 -0.76062 0.07389 120 3PX 1.39315 -0.17983 0.25642 -0.62050 0.42812 121 3PY -1.09172 0.43503 -0.93133 -0.32861 0.51511 122 3PZ 0.41650 -0.46032 -1.14832 -0.36777 0.85233 123 4XX -0.01275 -0.06148 0.03308 -0.02711 0.00382 124 4YY 0.02648 -0.00710 0.02134 0.00215 -0.01358 125 4ZZ 0.00691 0.03929 -0.06747 0.05608 0.00070 126 4XY 0.00453 -0.04183 0.00459 -0.07055 0.01467 127 4XZ -0.00589 -0.02798 0.04345 0.02890 -0.00052 128 4YZ 0.00811 -0.08283 0.00636 -0.03938 -0.00627 129 13 C 1S 0.00708 -0.00205 0.00895 0.01127 0.00078 130 2S -0.15865 -0.23736 -0.10965 0.18717 0.05340 131 2PX 0.38875 0.16798 0.00280 0.39051 0.18603 132 2PY 0.22258 0.09881 0.17992 -0.04247 -0.14426 133 2PZ 0.24026 0.31071 -0.15389 0.28323 0.18829 134 3S 0.14409 0.88893 0.87081 -0.76035 -0.07316 135 3PX -1.39276 -0.18222 -0.25524 -0.62116 -0.42748 136 3PY -1.09164 -0.44118 -0.92899 0.32908 0.51464 137 3PZ -0.41635 -0.45371 1.15089 -0.36876 -0.85202 138 4XX 0.01278 -0.06167 -0.03272 -0.02714 -0.00381 139 4YY -0.02646 -0.00726 -0.02130 0.00216 0.01361 140 4ZZ -0.00695 0.03968 0.06723 0.05610 -0.00075 141 4XY 0.00449 0.04184 0.00433 0.07055 0.01463 142 4XZ 0.00590 -0.02824 -0.04331 0.02888 0.00048 143 4YZ 0.00803 0.08288 0.00585 0.03938 -0.00628 144 14 C 1S -0.01294 0.01210 0.00766 0.00056 -0.02484 145 2S 0.06634 -0.00509 0.06929 0.09018 0.23058 146 2PX 0.13255 0.14544 0.24989 0.02731 -0.02277 147 2PY 0.00028 -0.16998 0.24174 0.04590 -0.23539 148 2PZ -0.00496 -0.02389 -0.16199 0.01903 0.12377 149 3S -0.32101 -0.21275 -1.44453 -0.06084 -0.78217 150 3PX -0.48959 -0.32609 -1.39656 0.19603 0.30415 151 3PY 0.28808 0.27486 -1.22533 -0.00053 0.25893 152 3PZ 0.74783 0.39184 0.48531 -0.33015 -0.36000 153 4XX -0.03973 0.01098 0.01072 0.01119 0.05055 154 4YY 0.04020 0.01006 0.00023 -0.00272 -0.08246 155 4ZZ -0.01087 -0.00437 -0.03241 0.00407 0.03978 156 4XY -0.00202 0.00966 0.03194 -0.01349 -0.00920 157 4XZ 0.03135 0.00029 0.00022 -0.00556 -0.00510 158 4YZ 0.00531 0.00710 0.00125 0.00981 -0.04977 159 15 C 1S -0.01249 -0.01449 -0.01500 0.00235 -0.02008 160 2S 0.25387 0.11412 -0.04191 0.05287 0.19906 161 2PX 0.03019 -0.02891 -0.33326 0.01733 -0.18892 162 2PY 0.35213 -0.15283 -0.43404 0.10256 -0.09693 163 2PZ 0.04056 0.08975 0.27530 -0.19355 0.45531 164 3S -1.50809 -0.57175 1.45253 0.40584 0.16816 165 3PX -0.19898 0.11708 1.39325 -0.03494 0.57350 166 3PY -0.79545 0.33610 1.94930 -0.34611 0.59521 167 3PZ 0.26963 -0.12789 -1.49192 0.25160 -1.43811 168 4XX 0.01685 0.01189 -0.01005 -0.03512 0.01871 169 4YY -0.04399 0.00430 0.06331 0.01873 0.03642 170 4ZZ 0.02807 -0.01554 -0.01933 0.01811 -0.00623 171 4XY -0.00167 0.00061 0.00842 -0.02052 -0.01835 172 4XZ -0.02264 0.01508 0.00484 0.01952 0.03006 173 4YZ -0.00642 0.00050 -0.00570 -0.00657 0.04853 174 16 H 1S 0.00737 -0.08527 0.18003 0.01268 0.32303 175 2S 0.22407 0.32830 -1.42364 -0.27033 -1.28240 176 17 H 1S -0.00292 -0.01750 -0.15598 0.01236 0.27995 177 2S -0.03423 0.18698 0.62659 0.04666 -0.68891 178 18 H 1S -0.09519 0.28443 -0.15692 0.37617 0.01473 179 2S 0.65412 -0.85459 -0.07030 -0.43523 0.42667 180 19 H 1S 0.09488 0.28543 0.15518 0.37620 -0.01501 181 2S -0.65343 -0.85455 0.07529 -0.43585 -0.42638 182 20 H 1S 0.00292 -0.01645 0.15610 0.01220 -0.28005 183 2S 0.03428 0.18280 -0.62786 0.04678 0.68940 184 21 H 1S -0.00722 -0.08619 -0.17956 0.01229 -0.32302 185 2S -0.22437 0.33599 1.42200 -0.26848 1.28248 186 22 H 1S -0.05961 -0.34726 0.12546 -0.17134 0.06945 187 2S -0.48246 0.33428 0.10681 0.85442 -0.56217 188 23 H 1S 0.05984 -0.34790 -0.12340 -0.17139 -0.06945 189 2S 0.48213 0.33390 -0.10894 0.85507 0.56150 96 97 98 99 100 V V V V V Eigenvalues -- 0.88230 0.88805 0.89108 0.89725 0.90402 1 1 C 1S -0.00488 0.00326 0.00751 0.00910 -0.00625 2 2S -0.39777 0.14919 0.03111 -0.21442 0.36025 3 2PX 0.15072 -0.05273 -0.00052 -0.14323 0.00952 4 2PY 0.14622 -0.11961 0.09798 0.13282 -0.16696 5 2PZ 0.23072 -0.23751 0.21022 0.18803 -0.25249 6 3S 0.96460 -0.20242 -0.52371 0.49991 -0.83086 7 3PX -0.19073 -0.11937 0.26774 0.34784 -0.10297 8 3PY -0.39925 0.54066 -0.67921 -0.25376 0.45263 9 3PZ -0.43088 0.83602 -0.78706 -0.44413 0.58972 10 4XX -0.03897 0.01943 -0.02123 -0.02173 0.02826 11 4YY -0.01888 0.02140 -0.02187 -0.01305 0.01990 12 4ZZ -0.00333 0.00288 0.02034 0.01892 0.00552 13 4XY -0.02732 0.00249 -0.00118 -0.04094 0.04942 14 4XZ 0.00387 -0.00818 -0.00982 -0.05603 0.00383 15 4YZ 0.05374 -0.00733 0.01584 0.01929 -0.05178 16 2 C 1S -0.00489 -0.00326 -0.00750 0.00911 -0.00625 17 2S -0.39779 -0.14927 -0.03100 -0.21444 0.36030 18 2PX 0.15070 0.05274 0.00021 -0.14325 0.00952 19 2PY -0.14623 -0.11967 0.09802 -0.13297 0.16697 20 2PZ 0.23050 0.23752 -0.21027 0.18827 -0.25249 21 3S 0.96507 0.20257 0.52325 0.49955 -0.83102 22 3PX -0.19095 0.11936 -0.26725 0.34799 -0.10302 23 3PY 0.39871 0.54080 -0.67949 0.25447 -0.45266 24 3PZ -0.43002 -0.83604 0.78704 -0.44494 0.58976 25 4XX -0.03896 -0.01944 0.02127 -0.02176 0.02826 26 4YY -0.01886 -0.02140 0.02186 -0.01307 0.01989 27 4ZZ -0.00334 -0.00287 -0.02032 0.01894 0.00554 28 4XY 0.02733 0.00250 -0.00117 0.04095 -0.04942 29 4XZ 0.00388 0.00817 0.00976 -0.05605 0.00382 30 4YZ -0.05373 -0.00735 0.01587 -0.01931 0.05179 31 3 C 1S 0.01456 0.00000 -0.00001 -0.00425 0.01178 32 2S -0.12046 -0.00004 -0.00029 -0.79105 -0.10199 33 2PX 0.00939 -0.00001 0.00009 0.27496 0.06519 34 2PY 0.00001 -0.00342 0.00625 0.00002 0.00000 35 2PZ -0.20260 -0.00002 0.00003 -0.15275 -0.02884 36 3S 0.14953 0.00007 0.00081 2.08159 0.36138 37 3PX -0.20440 0.00001 0.00000 -0.22274 0.15392 38 3PY -0.00007 -0.00904 -0.06146 -0.00001 0.00000 39 3PZ 0.74334 0.00005 -0.00029 0.09579 -0.05870 40 4XX 0.05561 0.00000 -0.00003 -0.02243 -0.01678 41 4YY -0.05510 -0.00001 0.00000 -0.03574 0.01911 42 4ZZ -0.00945 0.00000 0.00000 0.00221 0.02530 43 4XY 0.00000 -0.01254 0.00058 0.00000 0.00000 44 4XZ -0.00030 0.00000 -0.00001 -0.01681 0.01497 45 4YZ -0.00001 0.00489 -0.00418 0.00000 0.00000 46 4 O 1S -0.00654 0.00312 -0.00205 -0.00257 0.00884 47 2S 0.06959 -0.01697 0.01097 -0.22846 -0.02625 48 2PX -0.09037 -0.06260 0.00438 -0.03047 0.07708 49 2PY -0.07772 0.04284 -0.00105 0.20596 0.15546 50 2PZ -0.05064 -0.08821 0.01977 -0.10003 0.08488 51 3S -0.08888 -0.10428 0.19066 0.28764 -0.15908 52 3PX 0.06674 0.00274 0.08757 0.16547 -0.13359 53 3PY 0.21596 -0.11035 0.05398 -0.26973 -0.34773 54 3PZ 0.04554 0.05055 -0.02649 0.06653 -0.12710 55 4XX -0.00984 -0.00649 0.01082 -0.07684 -0.00315 56 4YY 0.06134 -0.00885 0.01541 -0.06123 -0.03346 57 4ZZ 0.00615 -0.00327 -0.01264 -0.09615 0.00735 58 4XY 0.01306 -0.01408 0.02010 0.03746 -0.00433 59 4XZ 0.02068 -0.00265 -0.01087 0.01820 -0.00748 60 4YZ 0.00499 -0.00705 -0.00352 -0.03302 0.01019 61 5 H 1S 0.14604 -0.06540 0.15915 0.16353 -0.22154 62 2S -0.76329 0.78357 -0.69959 -0.68030 0.92286 63 6 H 1S 0.14597 0.06548 -0.15910 0.16381 -0.22152 64 2S -0.76268 -0.78377 0.69974 -0.68116 0.92292 65 7 H 1S 0.20615 0.00000 -0.00003 0.16754 0.05318 66 2S -0.04250 0.00001 -0.00026 -0.66470 -0.06499 67 8 O 1S -0.00654 -0.00313 0.00205 -0.00257 0.00884 68 2S 0.06956 0.01693 -0.01124 -0.22849 -0.02625 69 2PX -0.09041 0.06260 -0.00432 -0.03049 0.07708 70 2PY 0.07772 0.04283 -0.00125 -0.20596 -0.15546 71 2PZ -0.05071 0.08818 -0.01983 -0.10009 0.08484 72 3S -0.08904 0.10433 -0.19032 0.28785 -0.15912 73 3PX 0.06668 -0.00274 -0.08751 0.16555 -0.13361 74 3PY -0.21590 -0.11034 0.05437 0.26971 0.34773 75 3PZ 0.04559 -0.05054 0.02653 0.06662 -0.12704 76 4XX -0.00984 0.00647 -0.01089 -0.07684 -0.00315 77 4YY 0.06133 0.00885 -0.01551 -0.06122 -0.03345 78 4ZZ 0.00615 0.00325 0.01255 -0.09617 0.00735 79 4XY -0.01305 -0.01409 0.02007 -0.03748 0.00434 80 4XZ 0.02070 0.00265 0.01088 0.01819 -0.00748 81 4YZ -0.00498 -0.00704 -0.00349 0.03304 -0.01019 82 9 H 1S 0.02061 -0.00001 0.00007 0.23782 0.18576 83 2S -0.53220 -0.00005 -0.00009 -0.80024 -0.16628 84 10 C 1S -0.02134 -0.00681 0.00468 0.00554 -0.00764 85 2S 0.01068 0.10180 -0.14378 -0.02006 0.32306 86 2PX -0.21914 -0.07789 -0.06354 -0.00426 -0.19876 87 2PY 0.12670 -0.24811 -0.09353 0.08482 0.20399 88 2PZ 0.26861 0.38525 0.18885 -0.05551 0.36307 89 3S 0.25349 0.06291 1.07381 -0.75947 -0.90247 90 3PX 0.39138 0.32430 0.35887 0.05405 0.50406 91 3PY -0.19423 1.47902 0.48905 -0.66740 -0.63528 92 3PZ -0.87739 -2.04288 -1.23565 0.10138 -0.88007 93 4XX 0.02893 0.02089 -0.01254 -0.00048 0.02032 94 4YY -0.01102 -0.02738 -0.01769 -0.03664 0.00912 95 4ZZ -0.02053 0.03479 0.04461 0.02687 0.02660 96 4XY 0.03164 0.00486 0.00542 -0.06954 0.01821 97 4XZ -0.00054 -0.02677 -0.00994 -0.03464 0.04270 98 4YZ -0.07043 -0.02098 0.00350 0.04746 -0.04592 99 11 C 1S 0.00057 -0.01292 0.01886 0.01043 0.01557 100 2S -0.13948 -0.06858 -0.36468 -0.13174 -0.01556 101 2PX -0.02537 -0.20297 0.00448 0.01519 -0.00092 102 2PY -0.21539 -0.08399 -0.56244 -0.10797 -0.24442 103 2PZ 0.08244 0.18596 0.22038 -0.06087 -0.01837 104 3S -0.18000 -0.84718 0.34203 0.35960 -0.09770 105 3PX 0.09533 0.71819 0.49799 -0.46914 -0.15695 106 3PY 0.76331 0.45436 1.66284 0.42191 0.79148 107 3PZ -0.45381 -1.62347 -1.10982 0.85383 0.22221 108 4XX -0.01887 -0.01326 -0.02539 0.01858 -0.00325 109 4YY 0.00711 -0.00989 0.06495 0.00382 0.03558 110 4ZZ -0.03116 -0.01742 -0.07996 -0.03198 -0.03983 111 4XY -0.02638 -0.00760 -0.02749 -0.00939 -0.00297 112 4XZ 0.02746 0.03113 0.00582 -0.02192 -0.03277 113 4YZ 0.01746 0.05799 0.04532 -0.03363 0.01634 114 12 C 1S 0.00605 0.00291 -0.00260 -0.02599 -0.00465 115 2S -0.41333 -0.17284 -0.01440 -0.02945 0.19100 116 2PX -0.10058 -0.44443 0.05105 -0.05771 0.11020 117 2PY -0.10044 0.11295 0.07025 0.01951 0.00365 118 2PZ 0.13670 -0.23746 0.33656 -0.04380 0.11738 119 3S 0.72220 0.21473 0.28262 0.75954 0.05650 120 3PX 0.09347 1.51556 0.07545 -0.08316 -0.37031 121 3PY 0.05449 -0.90322 -0.73487 0.30532 0.07343 122 3PZ -0.25131 0.42195 -1.16519 0.19596 -0.21935 123 4XX 0.01077 0.03548 -0.01364 -0.03489 -0.01976 124 4YY -0.07127 -0.00135 0.00119 0.03678 0.03700 125 4ZZ -0.00711 -0.05814 0.01591 -0.01896 0.02126 126 4XY 0.07033 0.02942 0.02385 0.00857 0.00996 127 4XZ 0.00607 0.02385 -0.02679 -0.03469 -0.04777 128 4YZ -0.00879 -0.00299 -0.03638 0.05582 0.01272 129 13 C 1S 0.00606 -0.00291 0.00257 -0.02600 -0.00465 130 2S -0.41330 0.17279 0.01492 -0.02942 0.19095 131 2PX -0.10060 0.44442 -0.05077 -0.05770 0.11016 132 2PY 0.10039 0.11300 0.07011 -0.01967 -0.00365 133 2PZ 0.13644 0.23762 -0.33659 -0.04349 0.11739 134 3S 0.72162 -0.21452 -0.28291 0.75968 0.05655 135 3PX 0.09354 -1.51550 -0.07600 -0.08282 -0.37016 136 3PY -0.05484 -0.90343 -0.73507 -0.30423 -0.07346 137 3PZ -0.25073 -0.42229 1.16542 0.19452 -0.21947 138 4XX 0.01079 -0.03549 0.01356 -0.03489 -0.01975 139 4YY -0.07128 0.00135 -0.00106 0.03680 0.03700 140 4ZZ -0.00713 0.05814 -0.01588 -0.01899 0.02125 141 4XY -0.07029 0.02941 0.02397 -0.00860 -0.00996 142 4XZ 0.00610 -0.02387 0.02676 -0.03471 -0.04777 143 4YZ 0.00874 -0.00300 -0.03641 -0.05579 -0.01273 144 14 C 1S 0.00053 0.01292 -0.01885 0.01045 0.01557 145 2S -0.13896 0.06862 0.36473 -0.13208 -0.01558 146 2PX -0.02544 0.20302 -0.00432 0.01510 -0.00095 147 2PY 0.21461 -0.08392 -0.56248 0.10843 0.24440 148 2PZ 0.08237 -0.18593 -0.22057 -0.06066 -0.01835 149 3S -0.18058 0.84696 -0.34167 0.36010 -0.09766 150 3PX 0.09530 -0.71840 -0.49873 -0.46825 -0.15687 151 3PY -0.76095 0.45393 1.66278 -0.42342 -0.79143 152 3PZ -0.45330 1.62350 1.11119 0.85255 0.22206 153 4XX -0.01883 0.01327 0.02545 0.01856 -0.00325 154 4YY 0.00701 0.00988 -0.06498 0.00385 0.03559 155 4ZZ -0.03106 0.01743 0.07997 -0.03202 -0.03984 156 4XY 0.02633 -0.00759 -0.02750 0.00941 0.00298 157 4XZ 0.02746 -0.03114 -0.00588 -0.02192 -0.03276 158 4YZ -0.01743 0.05799 0.04535 0.03358 -0.01633 159 15 C 1S -0.02135 0.00681 -0.00465 0.00554 -0.00764 160 2S 0.01101 -0.10175 0.14374 -0.02012 0.32309 161 2PX -0.21910 0.07784 0.06375 -0.00432 -0.19873 162 2PY -0.12674 -0.24806 -0.09343 -0.08477 -0.20406 163 2PZ 0.26859 -0.38523 -0.18925 -0.05529 0.36304 164 3S 0.25178 -0.06298 -1.07452 -0.75859 -0.90264 165 3PX 0.39101 -0.32417 -0.35917 0.05427 0.50400 166 3PY 0.19431 1.47873 0.48918 0.66695 0.63536 167 3PZ -0.87663 2.04295 1.23672 0.10012 -0.88002 168 4XX 0.02896 -0.02090 0.01249 -0.00049 0.02032 169 4YY -0.01102 0.02739 0.01767 -0.03662 0.00910 170 4ZZ -0.02054 -0.03478 -0.04455 0.02689 0.02661 171 4XY -0.03164 0.00485 0.00551 0.06954 -0.01821 172 4XZ -0.00053 0.02678 0.00991 -0.03462 0.04269 173 4YZ 0.07047 -0.02095 0.00340 -0.04746 0.04592 174 16 H 1S -0.26144 -0.04360 -0.03271 0.31315 -0.18751 175 2S 0.83003 0.58326 0.28835 -0.08101 1.15498 176 17 H 1S 0.12064 -0.00811 0.34306 0.05362 0.27987 177 2S -0.57994 -0.18590 -1.46306 -0.38686 -0.70978 178 18 H 1S 0.02965 -0.17702 0.02057 -0.31995 -0.10525 179 2S -0.29179 0.72309 -0.69414 0.23341 -0.16409 180 19 H 1S 0.02960 0.17703 -0.02074 -0.32003 -0.10527 181 2S -0.29132 -0.72321 0.69441 0.23282 -0.16409 182 20 H 1S 0.12010 0.00813 -0.34312 0.05388 0.27988 183 2S -0.57786 0.18585 1.46319 -0.38800 -0.70974 184 21 H 1S -0.26152 0.04361 0.03330 0.31305 -0.18750 185 2S 0.83005 -0.58307 -0.28933 -0.08053 1.15499 186 22 H 1S 0.29723 0.27481 -0.11363 -0.21154 -0.12958 187 2S -0.47049 -1.08745 0.31853 -0.02475 0.39428 188 23 H 1S 0.29733 -0.27486 0.11290 -0.21164 -0.12955 189 2S -0.47064 1.08751 -0.31752 -0.02449 0.39418 101 102 103 104 105 V V V V V Eigenvalues -- 0.91950 0.95055 0.96227 0.97337 0.98560 1 1 C 1S 0.00373 0.00230 0.00986 0.01328 -0.00075 2 2S 0.12445 0.24932 0.19014 -0.04739 -0.64310 3 2PX -0.09301 -0.14997 0.04024 0.05848 -0.02040 4 2PY -0.03903 -0.07762 0.07898 -0.05721 -0.05211 5 2PZ 0.04489 -0.06241 0.08627 0.00481 0.26751 6 3S -0.18130 -0.67246 -1.06286 0.19995 2.50847 7 3PX 0.15083 0.30247 0.07896 -0.63752 -0.40888 8 3PY 0.08817 0.29811 -0.66494 0.29472 0.62081 9 3PZ -0.02574 0.14353 -0.52808 0.19323 -0.72108 10 4XX 0.02839 0.00518 -0.00122 -0.01167 -0.00747 11 4YY -0.00142 0.00942 -0.00904 0.00977 0.00057 12 4ZZ 0.00310 0.00926 0.01371 0.01906 -0.02255 13 4XY 0.02313 -0.01129 -0.01149 -0.00044 0.00698 14 4XZ -0.02627 -0.01700 0.00276 0.01190 -0.01168 15 4YZ 0.01466 -0.07992 0.00315 0.00799 0.01045 16 2 C 1S 0.00372 0.00230 -0.00986 -0.01329 0.00075 17 2S 0.12443 0.24935 -0.19004 0.04732 0.64314 18 2PX -0.09301 -0.14996 -0.04028 -0.05843 0.02039 19 2PY 0.03903 0.07756 0.07904 -0.05724 -0.05212 20 2PZ 0.04485 -0.06239 -0.08631 -0.00480 -0.26745 21 3S -0.18114 -0.67274 1.06253 -0.19974 -2.50846 22 3PX 0.15090 0.30262 -0.07885 0.63743 0.40886 23 3PY -0.08824 -0.29786 -0.66517 0.29489 0.62082 24 3PZ -0.02562 0.14334 0.52815 -0.19327 0.72101 25 4XX 0.02840 0.00517 0.00122 0.01167 0.00746 26 4YY -0.00142 0.00940 0.00904 -0.00977 -0.00056 27 4ZZ 0.00309 0.00927 -0.01371 -0.01907 0.02255 28 4XY -0.02313 0.01129 -0.01148 -0.00042 0.00697 29 4XZ -0.02627 -0.01700 -0.00277 -0.01190 0.01168 30 4YZ -0.01465 0.07992 0.00318 0.00799 0.01045 31 3 C 1S -0.00175 -0.00921 0.00000 0.00000 0.00000 32 2S -0.63060 -0.22681 -0.00006 0.00000 0.00002 33 2PX 0.31095 0.18000 0.00003 -0.00001 0.00003 34 2PY 0.00002 -0.00001 0.05361 0.07029 -0.10994 35 2PZ -0.09730 0.10638 0.00004 -0.00001 -0.00001 36 3S 1.69452 0.75657 0.00016 -0.00001 0.00001 37 3PX -0.24927 -0.10158 -0.00003 -0.00002 -0.00002 38 3PY -0.00002 0.00006 -0.19180 -0.09737 0.42766 39 3PZ 0.02719 -0.62170 -0.00014 0.00007 0.00001 40 4XX -0.03711 -0.07257 -0.00001 0.00001 -0.00001 41 4YY -0.04325 0.02748 0.00000 0.00000 0.00001 42 4ZZ 0.02588 0.02301 0.00000 -0.00001 0.00000 43 4XY 0.00001 0.00000 0.02464 0.05420 -0.03408 44 4XZ 0.00286 -0.00551 0.00000 0.00000 0.00000 45 4YZ -0.00001 0.00000 0.00080 -0.03214 -0.04366 46 4 O 1S 0.00305 0.00299 -0.00211 0.00135 -0.00233 47 2S -0.08001 -0.08931 0.10175 0.19493 -0.21931 48 2PX 0.11499 0.02822 0.02001 -0.04360 -0.05861 49 2PY 0.15130 0.10375 -0.08883 -0.23632 0.06530 50 2PZ 0.04846 -0.02437 0.11107 -0.14202 -0.32030 51 3S 0.01602 0.16722 -0.02013 -0.54829 0.29826 52 3PX -0.06901 0.06692 0.10280 0.01623 -0.03474 53 3PY -0.27594 -0.22123 0.18416 0.29837 -0.15353 54 3PZ -0.05884 0.03342 -0.15994 0.23866 0.59664 55 4XX -0.03934 0.01361 0.04769 0.07274 -0.10712 56 4YY -0.02899 -0.06253 0.02843 0.02158 -0.07285 57 4ZZ -0.02121 -0.03374 0.02371 0.07956 -0.03746 58 4XY 0.02842 -0.00123 0.01336 -0.00088 -0.01078 59 4XZ -0.00959 -0.01252 -0.00891 0.01056 0.01985 60 4YZ -0.01981 -0.01953 -0.00568 -0.00001 0.00773 61 5 H 1S 0.01106 -0.15510 0.05322 0.17770 0.18507 62 2S 0.05147 0.57690 -0.43579 0.10196 -0.86963 63 6 H 1S 0.01097 -0.15511 -0.05331 -0.17770 -0.18506 64 2S 0.05160 0.57676 0.43615 -0.10218 0.86955 65 7 H 1S 0.18775 -0.03774 -0.00001 0.00000 0.00002 66 2S -0.64881 -0.38041 -0.00009 0.00001 -0.00002 67 8 O 1S 0.00305 0.00299 0.00211 -0.00135 0.00233 68 2S -0.08004 -0.08930 -0.10177 -0.19492 0.21931 69 2PX 0.11501 0.02823 -0.01999 0.04358 0.05862 70 2PY -0.15134 -0.10375 -0.08883 -0.23629 0.06522 71 2PZ 0.04848 -0.02434 -0.11108 0.14201 0.32031 72 3S 0.01605 0.16727 0.02016 0.54824 -0.29823 73 3PX -0.06905 0.06696 -0.10280 -0.01622 0.03476 74 3PY 0.27599 0.22121 0.18420 0.29832 -0.15343 75 3PZ -0.05886 0.03336 0.15995 -0.23863 -0.59663 76 4XX -0.03935 0.01362 -0.04769 -0.07275 0.10713 77 4YY -0.02900 -0.06253 -0.02845 -0.02157 0.07284 78 4ZZ -0.02122 -0.03374 -0.02371 -0.07955 0.03746 79 4XY -0.02842 0.00123 0.01336 -0.00088 -0.01076 80 4XZ -0.00959 -0.01252 0.00891 -0.01055 -0.01986 81 4YZ 0.01980 0.01953 -0.00567 0.00000 0.00773 82 9 H 1S 0.30399 0.15585 0.00002 -0.00002 0.00003 83 2S -0.72428 0.04718 0.00002 -0.00003 -0.00001 84 10 C 1S -0.00330 -0.00178 -0.00183 -0.00021 0.01005 85 2S 0.29420 -0.23098 -0.13979 0.41420 0.47065 86 2PX 0.03951 0.13859 -0.05333 0.02774 0.07729 87 2PY 0.10526 -0.12460 0.19161 0.22529 -0.08753 88 2PZ 0.09023 -0.16172 -0.06449 -0.03413 0.06220 89 3S -0.45323 0.64564 0.56185 -1.29673 -2.00035 90 3PX -0.12667 -0.22402 -0.10733 -0.43714 0.07704 91 3PY 0.06201 0.26456 -1.00038 -1.98245 0.70267 92 3PZ -0.00048 0.25021 0.60269 1.16809 -0.52300 93 4XX 0.02941 -0.00714 -0.00573 0.01884 0.03156 94 4YY 0.04955 -0.02604 0.02118 0.03616 -0.00088 95 4ZZ -0.03565 0.00571 -0.02246 -0.00812 0.03679 96 4XY 0.03045 0.01272 0.01630 0.00655 -0.02416 97 4XZ 0.00681 -0.00224 0.02804 0.02084 -0.02836 98 4YZ -0.04625 0.02890 -0.00578 0.00984 0.03071 99 11 C 1S -0.00458 -0.00595 -0.00522 0.00839 0.01181 100 2S 0.31133 -0.30329 -0.01778 -0.16814 0.14237 101 2PX -0.04569 -0.04964 -0.03405 -0.02380 0.00372 102 2PY 0.38747 -0.27617 0.01877 -0.18978 0.04404 103 2PZ -0.07833 -0.00677 -0.04948 -0.27832 -0.21086 104 3S -0.66491 0.84288 0.48390 1.70542 -0.72830 105 3PX 0.17143 0.21600 0.16196 -0.24345 -0.21428 106 3PY -0.80612 0.34742 -0.13473 0.27429 -0.19081 107 3PZ -0.05391 -0.19692 0.54712 2.11739 0.57345 108 4XX -0.00388 -0.03731 -0.01880 -0.07710 -0.00586 109 4YY -0.02877 0.02239 -0.00612 0.01803 0.05915 110 4ZZ 0.08431 -0.03672 0.02270 0.07327 -0.02620 111 4XY 0.01546 -0.00404 0.05135 0.04802 -0.02976 112 4XZ 0.01148 0.02586 0.02628 -0.02440 0.00075 113 4YZ 0.01144 0.00129 0.01509 0.02648 -0.02531 114 12 C 1S 0.01139 0.00821 0.02506 -0.00752 0.00996 115 2S -0.21568 -0.39438 -0.70421 0.17461 -0.18463 116 2PX -0.15060 -0.30681 -0.20013 0.03999 -0.10951 117 2PY -0.00986 -0.19612 -0.21220 -0.01810 -0.17252 118 2PZ -0.17908 0.19509 0.25219 -0.08231 0.02689 119 3S 0.19505 0.80475 1.64217 0.02181 0.49397 120 3PX 0.39655 0.58469 0.11410 -0.74179 0.05479 121 3PY 0.03921 0.16847 0.43283 0.55912 0.90863 122 3PZ 0.22487 -0.32022 -0.75652 -0.12928 0.16179 123 4XX 0.03286 0.00022 0.02843 0.10917 -0.03235 124 4YY -0.04092 -0.07179 -0.04729 0.00713 -0.02118 125 4ZZ -0.01777 0.00944 -0.04870 -0.09481 0.03786 126 4XY -0.00977 0.00395 0.01982 0.01478 0.00559 127 4XZ 0.02100 0.03069 0.06514 -0.03665 -0.00145 128 4YZ -0.03207 -0.06576 -0.00839 0.02977 -0.01081 129 13 C 1S 0.01139 0.00822 -0.02506 0.00751 -0.00997 130 2S -0.21563 -0.39470 0.70416 -0.17435 0.18461 131 2PX -0.15058 -0.30689 0.20009 -0.03991 0.10955 132 2PY 0.00988 0.19617 -0.21209 -0.01816 -0.17249 133 2PZ -0.17919 0.19518 -0.25208 0.08229 -0.02688 134 3S 0.19488 0.80542 -1.64205 -0.02221 -0.49388 135 3PX 0.39650 0.58471 -0.11404 0.74158 -0.05487 136 3PY -0.03931 -0.16858 0.43271 0.55923 0.90854 137 3PZ 0.22539 -0.32017 0.75633 0.12943 -0.16178 138 4XX 0.03284 0.00019 -0.02842 -0.10918 0.03235 139 4YY -0.04092 -0.07182 0.04727 -0.00709 0.02119 140 4ZZ -0.01775 0.00946 0.04869 0.09482 -0.03787 141 4XY 0.00979 -0.00395 0.01983 0.01476 0.00559 142 4XZ 0.02101 0.03072 -0.06514 0.03659 0.00144 143 4YZ 0.03207 0.06576 -0.00836 0.02975 -0.01079 144 14 C 1S -0.00459 -0.00595 0.00522 -0.00838 -0.01181 145 2S 0.31144 -0.30320 0.01765 0.16814 -0.14240 146 2PX -0.04563 -0.04965 0.03402 0.02381 -0.00372 147 2PY -0.38756 0.27607 0.01889 -0.18979 0.04402 148 2PZ -0.07838 -0.00670 0.04946 0.27829 0.21090 149 3S -0.66518 0.84249 -0.48344 -1.70537 0.72822 150 3PX 0.17116 0.21596 -0.16181 0.24340 0.21432 151 3PY 0.80641 -0.34712 -0.13483 0.27455 -0.19059 152 3PZ -0.05377 -0.19701 -0.54720 -2.11727 -0.57354 153 4XX -0.00386 -0.03731 0.01878 0.07710 0.00585 154 4YY -0.02879 0.02238 0.00613 -0.01803 -0.05912 155 4ZZ 0.08431 -0.03672 -0.02270 -0.07326 0.02618 156 4XY -0.01546 0.00402 0.05136 0.04803 -0.02974 157 4XZ 0.01147 0.02588 -0.02626 0.02440 -0.00076 158 4YZ -0.01144 -0.00127 0.01510 0.02649 -0.02534 159 15 C 1S -0.00330 -0.00178 0.00183 0.00021 -0.01006 160 2S 0.29412 -0.23107 0.13973 -0.41425 -0.47082 161 2PX 0.03952 0.13855 0.05341 -0.02775 -0.07727 162 2PY -0.10524 0.12462 0.19164 0.22527 -0.08748 163 2PZ 0.09014 -0.16173 0.06444 0.03418 -0.06220 164 3S -0.45314 0.64583 -0.56164 1.29673 2.00074 165 3PX -0.12668 -0.22394 0.10723 0.43722 -0.07711 166 3PY -0.06212 -0.26466 -1.00033 -1.98212 0.70239 167 3PZ -0.00016 0.25030 -0.60275 -1.16848 0.52312 168 4XX 0.02941 -0.00714 0.00573 -0.01883 -0.03156 169 4YY 0.04953 -0.02603 -0.02119 -0.03617 0.00086 170 4ZZ -0.03564 0.00570 0.02245 0.00812 -0.03680 171 4XY -0.03045 -0.01272 0.01630 0.00656 -0.02417 172 4XZ 0.00680 -0.00224 -0.02805 -0.02085 0.02835 173 4YZ 0.04627 -0.02891 -0.00580 0.00983 0.03072 174 16 H 1S -0.28606 0.09416 -0.12562 -0.16337 0.17223 175 2S 0.34991 -0.49396 0.03129 0.39401 0.24615 176 17 H 1S -0.29938 0.18705 -0.04281 0.08072 0.08780 177 2S 0.93902 -0.59469 0.14545 -0.46002 -0.00323 178 18 H 1S 0.10638 0.38344 0.32185 -0.45463 0.25623 179 2S 0.05685 -0.74644 -1.05358 0.37187 -0.51823 180 19 H 1S 0.10645 0.38369 -0.32169 0.45447 -0.25627 181 2S 0.05706 -0.74683 1.05324 -0.37161 0.51813 182 20 H 1S -0.29947 0.18699 0.04289 -0.08070 -0.08770 183 2S 0.93931 -0.59440 -0.14573 0.45993 0.00318 184 21 H 1S -0.28603 0.09416 0.12567 0.16343 -0.17226 185 2S 0.34967 -0.49407 -0.03149 -0.39402 -0.24628 186 22 H 1S 0.15878 0.21083 0.54828 0.14272 0.07325 187 2S -0.47323 -0.66897 -0.93357 -0.00501 -0.35350 188 23 H 1S 0.15875 0.21101 -0.54821 -0.14284 -0.07330 189 2S -0.47321 -0.66925 0.93343 0.00529 0.35352 106 107 108 109 110 V V V V V Eigenvalues -- 1.01135 1.05344 1.07612 1.12043 1.12968 1 1 C 1S 0.01205 0.01974 -0.00240 -0.01326 0.01072 2 2S 0.49403 0.16897 -0.42442 0.10516 0.37515 3 2PX 0.01266 -0.02777 -0.16506 0.02633 0.09713 4 2PY -0.02549 0.15419 -0.10220 -0.06223 0.04468 5 2PZ -0.01008 0.22995 -0.07961 0.09280 0.07947 6 3S -0.69193 0.09683 2.26600 -0.04050 -0.17655 7 3PX -0.42231 -0.08936 -0.12832 -0.24045 -0.05671 8 3PY 0.10862 -0.35110 1.61261 0.25647 -0.35228 9 3PZ 0.65463 -0.37871 1.17947 0.03151 -0.13768 10 4XX 0.05502 0.03037 -0.06583 -0.09507 0.00096 11 4YY 0.01492 0.03873 0.01311 0.00413 0.05310 12 4ZZ 0.04770 -0.03893 0.05621 0.06805 -0.02832 13 4XY 0.00482 0.04592 -0.03776 0.06909 0.03423 14 4XZ -0.09753 0.00821 -0.02848 -0.02209 -0.02323 15 4YZ 0.02186 0.01032 0.03332 0.02455 -0.07054 16 2 C 1S -0.01205 0.01974 0.00239 -0.01326 0.01071 17 2S -0.49408 0.16901 0.42435 0.10473 0.37563 18 2PX -0.01270 -0.02770 0.16506 0.02614 0.09736 19 2PY -0.02551 -0.15424 -0.10216 0.06247 -0.04499 20 2PZ 0.01010 0.22998 0.07955 0.09292 0.07934 21 3S 0.69205 0.09657 -2.26595 -0.03851 -0.17830 22 3PX 0.42235 -0.08955 0.12832 -0.23981 -0.05780 23 3PY 0.10875 0.35159 1.61263 -0.25804 0.35368 24 3PZ -0.65464 -0.37894 -1.17924 0.03055 -0.13607 25 4XX -0.05502 0.03039 0.06580 -0.09503 0.00090 26 4YY -0.01492 0.03872 -0.01313 0.00414 0.05308 27 4ZZ -0.04770 -0.03894 -0.05617 0.06799 -0.02824 28 4XY 0.00480 -0.04593 -0.03776 -0.06907 -0.03423 29 4XZ 0.09753 0.00821 0.02847 -0.02209 -0.02328 30 4YZ 0.02186 -0.01031 0.03332 -0.02451 0.07047 31 3 C 1S 0.00000 -0.00529 0.00000 0.05231 -0.05102 32 2S 0.00001 -0.08711 0.00007 0.81755 -0.78646 33 2PX 0.00001 0.22101 -0.00002 0.16839 0.10881 34 2PY -0.16921 -0.00001 -0.12322 0.00006 -0.00007 35 2PZ -0.00001 -0.07482 0.00001 0.07341 0.00843 36 3S -0.00001 0.40740 -0.00013 -1.40267 1.65113 37 3PX 0.00000 -0.15075 0.00001 -0.15911 -0.25147 38 3PY 0.56971 -0.00001 0.52694 -0.00007 0.00004 39 3PZ 0.00003 0.12849 -0.00005 -0.58039 -0.19231 40 4XX 0.00000 -0.08741 0.00001 0.02803 -0.20966 41 4YY 0.00001 0.02557 -0.00001 0.10916 -0.00389 42 4ZZ 0.00000 0.02366 0.00001 0.02927 0.03403 43 4XY -0.06239 0.00000 0.05643 0.00003 -0.00006 44 4XZ 0.00000 0.04283 -0.00001 -0.07601 0.09109 45 4YZ -0.02629 0.00004 0.19718 -0.00001 -0.00001 46 4 O 1S 0.01097 0.00403 -0.00323 0.00411 0.00961 47 2S -0.21426 0.13379 -0.26014 -0.02669 0.20298 48 2PX 0.08257 0.13828 0.24223 -0.17349 0.12446 49 2PY 0.31263 0.04458 0.12080 0.28153 -0.23619 50 2PZ -0.23539 0.04164 0.32210 -0.12913 -0.05345 51 3S 0.27871 -0.21637 0.26787 0.14087 -0.58588 52 3PX -0.35641 -0.13213 -0.57831 0.22588 -0.11826 53 3PY -0.54146 0.01232 -0.34019 -0.45846 0.36176 54 3PZ 0.39162 0.02069 -0.40816 0.32243 0.16137 55 4XX -0.10170 0.05196 -0.01141 0.00730 0.13817 56 4YY 0.00611 -0.00953 -0.06242 0.02039 -0.06401 57 4ZZ -0.09342 0.06529 -0.15922 -0.07772 0.11548 58 4XY 0.02736 -0.03284 0.01446 -0.04613 -0.01558 59 4XZ -0.03503 -0.03606 0.11676 -0.02196 -0.01775 60 4YZ -0.01414 -0.00337 -0.02746 -0.00964 0.00050 61 5 H 1S 0.13616 0.12886 0.39389 0.13671 -0.11604 62 2S 0.41731 -0.44678 0.30529 -0.03876 0.04133 63 6 H 1S -0.13614 0.12881 -0.39390 0.13645 -0.11556 64 2S -0.41741 -0.44699 -0.30526 -0.03875 0.04145 65 7 H 1S 0.00001 0.14561 -0.00001 0.09503 -0.08858 66 2S 0.00000 -0.23301 0.00003 0.08075 -0.55432 67 8 O 1S -0.01097 0.00403 0.00323 0.00410 0.00963 68 2S 0.21426 0.13383 0.26008 -0.02687 0.20318 69 2PX -0.08256 0.13822 -0.24232 -0.17338 0.12440 70 2PY 0.31258 -0.04453 0.12078 -0.28175 0.23650 71 2PZ 0.23543 0.04144 -0.32210 -0.12915 -0.05338 72 3S -0.27871 -0.21648 -0.26776 0.14168 -0.58697 73 3PX 0.35639 -0.13206 0.57843 0.22591 -0.11850 74 3PY -0.54139 -0.01245 -0.34014 0.45890 -0.36230 75 3PZ -0.39169 0.02101 0.40812 0.32243 0.16138 76 4XX 0.10170 0.05194 0.01139 0.00722 0.13828 77 4YY -0.00611 -0.00953 0.06242 0.02035 -0.06397 78 4ZZ 0.09341 0.06534 0.15918 -0.07779 0.11553 79 4XY 0.02736 0.03285 0.01446 0.04614 0.01558 80 4XZ 0.03503 -0.03609 -0.11674 -0.02198 -0.01768 81 4YZ -0.01415 0.00335 -0.02748 0.00968 -0.00054 82 9 H 1S 0.00001 0.09884 0.00000 0.20897 0.00241 83 2S 0.00000 -0.27753 0.00009 0.53712 -0.37985 84 10 C 1S -0.01224 -0.01782 0.00088 -0.01792 -0.01861 85 2S -0.25298 -0.46998 0.26345 -0.57007 -0.57867 86 2PX 0.10732 0.18208 -0.03428 -0.01030 -0.01575 87 2PY 0.17237 -0.19595 -0.00224 -0.03415 0.08306 88 2PZ -0.16639 0.01382 -0.00168 0.08438 0.13575 89 3S 0.94571 1.63484 -1.27527 2.13097 1.08275 90 3PX -0.47120 -0.43255 -0.22171 0.13358 0.18669 91 3PY -1.85619 1.08526 -0.14356 0.46751 -0.22588 92 3PZ 1.14209 0.23113 0.57166 -0.77033 -0.74388 93 4XX 0.01240 0.01704 0.00577 0.01741 0.06971 94 4YY 0.01804 -0.01082 0.00341 -0.08729 -0.09304 95 4ZZ -0.06832 -0.06252 -0.00048 0.00411 -0.03700 96 4XY 0.00523 0.08431 -0.00270 -0.00971 -0.08904 97 4XZ 0.02143 0.00015 -0.01906 0.01586 -0.02442 98 4YZ 0.00000 -0.00549 0.00298 -0.06783 -0.03646 99 11 C 1S -0.00565 -0.00338 -0.01649 0.00761 0.00631 100 2S -0.48260 -0.25518 -0.05839 0.61479 0.39179 101 2PX 0.10997 0.03867 -0.11558 -0.14472 -0.00063 102 2PY -0.04358 -0.00366 -0.04980 0.02605 0.04861 103 2PZ -0.08680 0.12291 -0.12834 0.13263 0.02118 104 3S 1.94298 0.18304 0.89617 -2.09926 -1.58466 105 3PX -0.27142 0.33454 -0.10014 0.46086 -0.15557 106 3PY 0.15670 -0.67653 -0.28449 0.42009 0.55303 107 3PZ 1.00308 -0.89477 0.71272 -1.01363 -0.01943 108 4XX 0.01338 -0.09737 -0.04943 0.03118 0.08614 109 4YY -0.08135 0.08018 0.01172 0.03437 -0.00403 110 4ZZ 0.02778 -0.01443 0.01840 -0.02003 -0.03873 111 4XY 0.02208 -0.03290 -0.01678 0.00426 -0.06990 112 4XZ 0.02107 0.03608 -0.00037 -0.03602 -0.01509 113 4YZ 0.00758 0.04070 -0.00561 -0.01069 -0.01080 114 12 C 1S -0.00787 0.00179 0.00037 0.00447 -0.00752 115 2S -0.10845 0.30127 -0.00420 0.02664 -0.13475 116 2PX -0.05113 0.13014 -0.00563 0.11823 0.08272 117 2PY 0.00833 0.01767 -0.04177 0.05593 0.02278 118 2PZ 0.03554 -0.17464 -0.06261 0.13859 0.18879 119 3S 0.60048 -1.23043 -0.09719 -0.30778 0.70996 120 3PX 0.08921 0.17933 -0.07252 -0.32596 -0.46261 121 3PY -0.06787 -0.11251 0.38082 -0.27694 0.07509 122 3PZ -0.25786 0.08643 0.09190 -0.17417 -0.23295 123 4XX 0.01776 0.03251 0.00948 0.00139 -0.04844 124 4YY -0.00183 0.04881 -0.00452 -0.00921 -0.02340 125 4ZZ -0.03096 -0.04387 -0.01450 0.01690 0.05305 126 4XY 0.00476 0.02495 0.00662 -0.01106 0.03053 127 4XZ 0.00640 -0.06070 -0.00503 0.01926 -0.02583 128 4YZ 0.01708 -0.09326 -0.00049 0.03598 0.06466 129 13 C 1S 0.00787 0.00179 -0.00038 0.00449 -0.00757 130 2S 0.10853 0.30125 0.00409 0.02693 -0.13533 131 2PX 0.05113 0.13016 0.00560 0.11839 0.08248 132 2PY 0.00834 -0.01759 -0.04178 -0.05594 -0.02279 133 2PZ -0.03555 -0.17459 0.06268 0.13859 0.18878 134 3S -0.60058 -1.23021 0.09767 -0.30904 0.71199 135 3PX -0.08919 0.17920 0.07238 -0.32686 -0.46126 136 3PY -0.06793 0.11226 0.38080 0.27669 -0.07540 137 3PZ 0.25789 0.08654 -0.09186 -0.17441 -0.23291 138 4XX -0.01776 0.03251 -0.00948 0.00147 -0.04856 139 4YY 0.00184 0.04879 0.00451 -0.00920 -0.02341 140 4ZZ 0.03096 -0.04385 0.01451 0.01685 0.05308 141 4XY 0.00477 -0.02494 0.00664 0.01106 -0.03055 142 4XZ -0.00641 -0.06071 0.00505 0.01926 -0.02584 143 4YZ 0.01707 0.09326 -0.00054 -0.03597 -0.06466 144 14 C 1S 0.00565 -0.00337 0.01649 0.00761 0.00631 145 2S 0.48257 -0.25515 0.05863 0.61530 0.39114 146 2PX -0.10996 0.03874 0.11554 -0.14484 -0.00051 147 2PY -0.04358 0.00365 -0.04981 -0.02599 -0.04893 148 2PZ 0.08678 0.12291 0.12832 0.13263 0.02106 149 3S -1.94279 0.18300 -0.89673 -2.10004 -1.58421 150 3PX 0.27135 0.33424 0.10008 0.46144 -0.15631 151 3PY 0.15692 0.67660 -0.28468 -0.41964 -0.55249 152 3PZ -1.00296 -0.89439 -0.71259 -1.01370 -0.01926 153 4XX -0.01339 -0.09737 0.04947 0.03111 0.08619 154 4YY 0.08135 0.08020 -0.01173 0.03445 -0.00409 155 4ZZ -0.02777 -0.01444 -0.01839 -0.02000 -0.03878 156 4XY 0.02207 0.03288 -0.01680 -0.00427 0.06998 157 4XZ -0.02107 0.03607 0.00034 -0.03607 -0.01498 158 4YZ 0.00760 -0.04068 -0.00559 0.01067 0.01085 159 15 C 1S 0.01225 -0.01782 -0.00088 -0.01792 -0.01860 160 2S 0.25304 -0.46982 -0.26342 -0.57016 -0.57842 161 2PX -0.10732 0.18209 0.03424 -0.01033 -0.01580 162 2PY 0.17233 0.19596 -0.00229 0.03416 -0.08311 163 2PZ 0.16641 0.01384 0.00168 0.08444 0.13574 164 3S -0.94594 1.63435 1.27512 2.13109 1.08145 165 3PX 0.47126 -0.43245 0.22187 0.13328 0.18741 166 3PY -1.85590 -1.08521 -0.14317 -0.46782 0.22616 167 3PZ -1.14234 0.23109 -0.57188 -0.77005 -0.74490 168 4XX -0.01241 0.01705 -0.00578 0.01738 0.06976 169 4YY -0.01804 -0.01082 -0.00343 -0.08732 -0.09304 170 4ZZ 0.06833 -0.06250 0.00051 0.00415 -0.03702 171 4XY 0.00524 -0.08431 -0.00267 0.00969 0.08909 172 4XZ -0.02142 0.00014 0.01907 0.01589 -0.02449 173 4YZ -0.00003 0.00550 0.00299 0.06784 0.03638 174 16 H 1S -0.04800 -0.31569 -0.05799 0.01474 0.11972 175 2S -0.16481 -0.57633 0.00098 -0.07575 0.11649 176 17 H 1S -0.12900 0.35150 0.02053 -0.06636 -0.18980 177 2S -0.19423 -0.08076 -0.07428 0.23486 0.12628 178 18 H 1S -0.11748 -0.15199 -0.03943 0.04299 -0.02155 179 2S -0.05269 0.45540 0.05968 -0.12365 -0.38494 180 19 H 1S 0.11744 -0.15190 0.03946 0.04291 -0.02159 181 2S 0.05278 0.45519 -0.05981 -0.12344 -0.38545 182 20 H 1S 0.12901 0.35147 -0.02065 -0.06621 -0.18979 183 2S 0.19421 -0.08081 0.07435 0.23500 0.12647 184 21 H 1S 0.04802 -0.31567 0.05811 0.01446 0.12026 185 2S 0.16481 -0.57628 -0.00084 -0.07592 0.11696 186 22 H 1S 0.00978 -0.14388 0.03361 0.06466 0.01704 187 2S -0.17969 0.22756 -0.11811 0.28418 0.22274 188 23 H 1S -0.00982 -0.14391 -0.03357 0.06493 0.01660 189 2S 0.17973 0.22761 0.11806 0.28459 0.22200 111 112 113 114 115 V V V V V Eigenvalues -- 1.14032 1.14811 1.19961 1.20298 1.25152 1 1 C 1S -0.00517 0.01875 0.00865 -0.00220 0.01885 2 2S 0.36931 0.18767 0.42713 -0.15197 0.48297 3 2PX 0.17546 0.01014 0.16610 -0.05994 0.21604 4 2PY 0.20101 0.00330 0.01930 0.12788 -0.09730 5 2PZ -0.08622 0.00366 -0.07469 -0.13145 -0.01919 6 3S -1.25865 0.01802 -1.11431 -0.60816 -0.80870 7 3PX -0.78898 -0.43486 0.21559 0.25480 -0.69477 8 3PY -0.93712 -0.09651 0.00157 -0.78061 0.39689 9 3PZ 1.11310 0.10314 -0.26479 0.28536 0.27148 10 4XX -0.04989 0.04591 0.02242 -0.01355 0.10472 11 4YY 0.00072 0.00136 0.08778 -0.00866 0.00859 12 4ZZ 0.06034 0.03081 -0.11421 -0.01116 -0.03673 13 4XY -0.00069 -0.06570 -0.11798 0.02209 0.03193 14 4XZ -0.03230 -0.00406 -0.05402 0.05159 0.01885 15 4YZ 0.05437 -0.11569 0.00880 0.02849 0.08205 16 2 C 1S 0.00519 0.01875 0.00864 0.00225 0.01885 17 2S -0.36900 0.18760 0.42617 0.15387 0.48293 18 2PX -0.17543 0.01016 0.16577 0.06066 0.21600 19 2PY 0.20087 -0.00327 -0.01978 0.12771 0.09727 20 2PZ 0.08628 0.00368 -0.07527 0.13113 -0.01920 21 3S 1.25878 0.01845 -1.11577 0.60313 -0.80891 22 3PX 0.78914 -0.43491 0.21667 -0.25373 -0.69461 23 3PY -0.93623 0.09622 0.00134 -0.78047 -0.39663 24 3PZ -1.11330 0.10304 -0.26350 -0.28668 0.27145 25 4XX 0.04995 0.04590 0.02238 0.01367 0.10474 26 4YY -0.00068 0.00135 0.08774 0.00906 0.00860 27 4ZZ -0.06039 0.03083 -0.11427 0.01062 -0.03677 28 4XY -0.00076 0.06570 0.11788 0.02259 -0.03193 29 4XZ 0.03232 -0.00405 -0.05377 -0.05179 0.01886 30 4YZ 0.05449 0.11570 -0.00888 0.02844 -0.08204 31 3 C 1S -0.00005 0.00539 -0.03740 -0.00009 0.03727 32 2S -0.00083 0.08097 -0.59437 -0.00148 0.59550 33 2PX 0.00001 0.04538 -0.08261 -0.00020 -0.02466 34 2PY 0.08545 0.00001 -0.00012 0.05380 -0.00001 35 2PZ -0.00005 -0.04810 0.14549 0.00030 -0.07808 36 3S 0.00155 -0.28475 1.68957 0.00407 -1.71772 37 3PX -0.00005 -0.17353 -0.16493 -0.00030 -0.00847 38 3PY -0.01206 0.00006 0.00059 -0.28557 -0.00003 39 3PZ 0.00019 -0.44300 -0.52661 -0.00103 0.40246 40 4XX -0.00019 -0.12848 0.07267 0.00014 0.05270 41 4YY -0.00003 0.02212 -0.06310 -0.00014 -0.03782 42 4ZZ 0.00002 0.09974 -0.04304 -0.00010 0.04174 43 4XY 0.06629 0.00000 0.00004 -0.01341 0.00000 44 4XZ 0.00014 -0.03802 -0.13927 -0.00027 -0.00371 45 4YZ 0.02376 0.00000 0.00001 -0.00208 0.00000 46 4 O 1S 0.00894 0.01451 -0.01741 -0.00159 -0.00470 47 2S 0.11368 0.20086 -0.30312 -0.06073 0.07030 48 2PX -0.03280 -0.04152 -0.33886 -0.15553 0.16411 49 2PY -0.19473 -0.02506 -0.04963 -0.05768 0.05316 50 2PZ 0.02547 -0.47678 -0.02103 0.03022 -0.05148 51 3S -0.70732 -0.59143 0.72202 -0.02766 0.08748 52 3PX -0.18294 -0.04978 0.88079 0.27562 -0.39529 53 3PY 0.34271 -0.01295 0.07863 0.17346 -0.05104 54 3PZ 0.03602 0.90221 -0.09596 -0.13742 0.15833 55 4XX 0.07132 0.10882 -0.13992 -0.02814 -0.05573 56 4YY 0.02401 0.02563 -0.03881 -0.02724 0.05011 57 4ZZ 0.02299 0.04182 -0.07905 0.01856 0.02731 58 4XY 0.01224 -0.05386 0.00803 -0.02300 0.00479 59 4XZ 0.04921 -0.00475 0.04088 0.03547 -0.03435 60 4YZ 0.01641 -0.09885 -0.05329 0.03876 -0.03915 61 5 H 1S 0.34199 0.03377 -0.18007 0.03831 0.08918 62 2S 0.10165 0.12929 0.29919 -0.13534 0.52855 63 6 H 1S -0.34222 0.03375 -0.17996 -0.03909 0.08915 64 2S -0.10161 0.12928 0.29864 0.13664 0.52850 65 7 H 1S -0.00006 -0.07460 -0.30367 -0.00068 0.18729 66 2S -0.00036 0.00471 -0.38831 -0.00088 0.39037 67 8 O 1S -0.00892 0.01451 -0.01742 0.00151 -0.00470 68 2S -0.11327 0.20090 -0.30336 0.05942 0.07026 69 2PX 0.03325 -0.04155 -0.33950 0.15411 0.16411 70 2PY -0.19416 0.02509 0.04987 -0.05737 -0.05314 71 2PZ -0.02543 -0.47680 -0.02096 -0.03021 -0.05147 72 3S 0.70609 -0.59154 0.72178 0.03079 0.08758 73 3PX 0.18229 -0.04970 0.88186 -0.27179 -0.39531 74 3PY 0.34183 0.01292 -0.07931 0.17294 0.05094 75 3PZ -0.03606 0.90225 -0.09643 0.13678 0.15831 76 4XX -0.07108 0.10883 -0.14005 0.02754 -0.05576 77 4YY -0.02414 0.02562 -0.03895 0.02702 0.05009 78 4ZZ -0.02271 0.04184 -0.07894 -0.01884 0.02733 79 4XY 0.01223 0.05387 -0.00793 -0.02303 -0.00479 80 4XZ -0.04922 -0.00475 0.04104 -0.03529 -0.03435 81 4YZ 0.01636 0.09886 0.05313 0.03897 0.03914 82 9 H 1S -0.00007 0.20206 -0.14656 -0.00037 0.08963 83 2S -0.00048 -0.00245 -0.04596 -0.00022 0.07194 84 10 C 1S 0.00071 0.01035 -0.00798 0.01082 0.00994 85 2S 0.11874 0.38204 -0.00557 0.34137 0.07699 86 2PX -0.04026 -0.06509 -0.01429 0.12721 0.09266 87 2PY 0.04184 0.05387 -0.03233 -0.07566 -0.02304 88 2PZ 0.00628 0.00921 -0.02471 -0.15381 -0.07792 89 3S -0.76847 -1.15587 0.17724 0.04099 -0.64618 90 3PX 0.52592 -0.06407 -0.13876 -0.26846 -0.17589 91 3PY -0.21103 -0.16317 0.30252 -0.73586 -0.15644 92 3PZ -0.72425 0.39724 0.20511 0.98728 0.52302 93 4XX 0.04360 -0.01568 -0.00042 -0.03706 -0.03393 94 4YY 0.00496 0.04670 0.01632 0.01108 0.04268 95 4ZZ -0.02907 0.01739 -0.03803 0.06231 0.01587 96 4XY -0.02946 0.05039 0.01027 -0.01461 -0.14150 97 4XZ -0.05653 -0.00729 -0.07832 0.00904 -0.02794 98 4YZ 0.04876 0.05237 -0.00942 -0.03761 -0.00606 99 11 C 1S 0.00035 -0.03051 0.00078 -0.01807 -0.02268 100 2S -0.48304 -0.55134 0.17814 -0.14750 -0.44881 101 2PX 0.09376 -0.03410 -0.12386 0.06326 0.09822 102 2PY 0.23619 0.11100 0.13043 -0.37758 -0.02469 103 2PZ -0.07291 0.00466 -0.05135 0.04320 0.00611 104 3S 0.31031 2.12511 -0.58763 1.70736 0.84826 105 3PX -0.57918 0.31711 0.05800 -0.53615 -0.73353 106 3PY -0.44765 -0.55848 -0.57525 1.78677 0.18564 107 3PZ 0.25046 -0.07817 0.14784 -0.07549 0.55800 108 4XX 0.05150 -0.02268 -0.10518 0.06257 -0.02824 109 4YY -0.04501 -0.03281 0.08704 -0.13576 -0.00651 110 4ZZ -0.04516 -0.00930 0.01616 0.02796 -0.03850 111 4XY -0.04816 0.02074 -0.06521 0.00063 0.01035 112 4XZ 0.07618 0.04123 0.01842 -0.07257 -0.04160 113 4YZ -0.02987 -0.00382 0.00214 -0.06609 -0.02953 114 12 C 1S -0.03032 0.02183 -0.02571 -0.01290 -0.04970 115 2S -0.35278 0.37183 -0.41293 -0.15055 -1.01092 116 2PX -0.15325 0.12456 0.10131 -0.16832 0.18917 117 2PY 0.00295 0.04698 0.01555 -0.05185 0.10148 118 2PZ -0.02849 -0.01098 -0.02787 0.01972 -0.03553 119 3S 1.22171 -1.52754 0.95227 1.46700 2.07874 120 3PX 0.84543 0.03217 -0.07969 0.71330 -0.42287 121 3PY 0.28621 -0.37114 0.32329 -1.10911 0.20729 122 3PZ 0.19178 -0.30367 -0.09618 0.40847 0.15211 123 4XX -0.08627 0.00658 0.00593 -0.07624 -0.05028 124 4YY -0.01135 0.03134 -0.03845 0.01720 -0.08257 125 4ZZ 0.04037 0.02225 -0.03368 0.04576 -0.02758 126 4XY 0.01951 0.07476 0.03763 -0.05582 -0.01033 127 4XZ 0.00159 0.01790 -0.08419 -0.00415 0.03986 128 4YZ -0.01197 -0.01889 -0.10145 0.04619 0.05643 129 13 C 1S 0.03030 0.02184 -0.02575 0.01277 -0.04971 130 2S 0.35254 0.37188 -0.41352 0.14845 -1.01095 131 2PX 0.15325 0.12459 0.10061 0.16872 0.18915 132 2PY 0.00301 -0.04698 -0.01531 -0.05188 -0.10145 133 2PZ 0.02869 -0.01101 -0.02782 -0.01993 -0.03552 134 3S -1.22030 -1.52796 0.95825 -1.46211 2.07905 135 3PX -0.84585 0.03213 -0.07658 -0.71333 -0.42267 136 3PY 0.28574 0.37103 -0.31841 -1.11076 -0.20719 137 3PZ -0.19203 -0.30371 -0.09427 -0.40881 0.15214 138 4XX 0.08619 0.00660 0.00563 0.07625 -0.05031 139 4YY 0.01134 0.03132 -0.03840 -0.01741 -0.08256 140 4ZZ -0.04031 0.02226 -0.03347 -0.04589 -0.02757 141 4XY 0.01950 -0.07478 -0.03737 -0.05598 0.01035 142 4XZ -0.00159 0.01788 -0.08422 0.00380 0.03986 143 4YZ -0.01206 0.01890 0.10124 0.04661 -0.05643 144 14 C 1S -0.00035 -0.03050 0.00070 0.01807 -0.02269 145 2S 0.48299 -0.55129 0.17773 0.14817 -0.44886 146 2PX -0.09360 -0.03408 -0.12363 -0.06369 0.09821 147 2PY 0.23619 -0.11105 -0.12871 -0.37816 0.02473 148 2PZ 0.07289 0.00466 -0.05113 -0.04347 0.00610 149 3S -0.31056 2.12483 -0.58031 -1.70983 0.84828 150 3PX 0.57848 0.31727 0.05582 0.53596 -0.73368 151 3PY -0.44810 0.55886 0.56756 1.78955 -0.18615 152 3PZ -0.24956 -0.07820 0.14742 0.07660 0.55783 153 4XX -0.05138 -0.02268 -0.10495 -0.06303 -0.02822 154 4YY 0.04496 -0.03279 0.08648 0.13618 -0.00655 155 4ZZ 0.04509 -0.00930 0.01630 -0.02794 -0.03850 156 4XY -0.04808 -0.02074 0.06517 0.00086 -0.01032 157 4XZ -0.07620 0.04124 0.01808 0.07263 -0.04161 158 4YZ -0.02987 0.00380 -0.00186 -0.06606 0.02955 159 15 C 1S -0.00072 0.01034 -0.00794 -0.01085 0.00994 160 2S -0.11902 0.38178 -0.00421 -0.34129 0.07698 161 2PX 0.04023 -0.06508 -0.01369 -0.12724 0.09265 162 2PY 0.04170 -0.05388 0.03268 -0.07552 0.02307 163 2PZ -0.00614 0.00922 -0.02539 0.15367 -0.07791 164 3S 0.76791 -1.15520 0.17779 -0.04049 -0.64583 165 3PX -0.52568 -0.06420 -0.14034 0.26784 -0.17568 166 3PY -0.21035 0.16299 -0.29964 -0.73711 0.15655 167 3PZ 0.72383 0.39728 0.20997 -0.98623 0.52272 168 4XX -0.04353 -0.01567 -0.00059 0.03701 -0.03394 169 4YY -0.00503 0.04671 0.01636 -0.01097 0.04269 170 4ZZ 0.02906 0.01734 -0.03775 -0.06247 0.01587 171 4XY -0.02933 -0.05039 -0.01021 -0.01462 0.14151 172 4XZ 0.05651 -0.00728 -0.07825 -0.00934 -0.02793 173 4YZ 0.04874 -0.05236 0.00963 -0.03757 0.00606 174 16 H 1S 0.37004 -0.07063 -0.13083 -0.06622 -0.01876 175 2S 0.32768 0.13685 -0.18560 -0.21688 -0.26608 176 17 H 1S 0.02292 -0.10242 0.11605 -0.54222 -0.11332 177 2S 0.16258 0.03419 0.28058 -0.85202 -0.30908 178 18 H 1S -0.00737 0.05979 -0.11879 0.16900 -0.16699 179 2S -0.29455 0.16152 -0.32639 0.08954 -0.35627 180 19 H 1S 0.00730 0.05976 -0.11800 -0.16954 -0.16696 181 2S 0.29404 0.16152 -0.32584 -0.09097 -0.35626 182 20 H 1S -0.02310 -0.10230 0.11372 0.54281 -0.11343 183 2S -0.16274 0.03434 0.27693 0.85326 -0.30922 184 21 H 1S -0.36984 -0.07071 -0.13137 0.06558 -0.01867 185 2S -0.32738 0.13670 -0.18686 0.21599 -0.26597 186 22 H 1S -0.29794 0.06892 -0.17829 -0.11497 -0.17677 187 2S -0.48386 0.29180 -0.06855 -0.24750 -0.14674 188 23 H 1S 0.29792 0.06894 -0.17876 0.11410 -0.17683 189 2S 0.48392 0.29185 -0.06955 0.24693 -0.14681 116 117 118 119 120 V V V V V Eigenvalues -- 1.28997 1.31432 1.32933 1.39992 1.41503 1 1 C 1S -0.02562 -0.00957 -0.00970 -0.00082 0.01112 2 2S -0.35278 0.21757 -0.22769 -0.05517 0.43061 3 2PX 0.03963 0.04217 -0.06773 -0.08530 0.15584 4 2PY 0.01679 0.00710 0.03188 0.04335 -0.06700 5 2PZ -0.11210 0.13182 -0.10998 0.07889 0.05172 6 3S 1.89836 -0.80583 0.30289 0.12098 -1.17195 7 3PX -0.59198 0.81561 -0.07470 0.22858 -0.18343 8 3PY 1.30746 0.56448 -0.00430 -0.15229 -0.37627 9 3PZ 0.67971 -1.35624 0.26547 -0.22014 -0.28007 10 4XX -0.12561 -0.07898 -0.15448 0.20374 -0.06912 11 4YY 0.01034 0.00529 0.00759 0.02280 -0.01300 12 4ZZ 0.09128 0.00619 0.08739 -0.24572 0.08027 13 4XY -0.02490 -0.01114 0.24784 0.05568 0.02230 14 4XZ 0.04606 0.02117 0.11900 0.01121 -0.06156 15 4YZ -0.00479 -0.00068 0.02428 0.07457 0.00710 16 2 C 1S 0.02562 0.00957 -0.00971 -0.00082 -0.01112 17 2S 0.35273 -0.21757 -0.22793 -0.05520 -0.43056 18 2PX -0.03966 -0.04215 -0.06775 -0.08529 -0.15581 19 2PY 0.01676 0.00716 -0.03191 -0.04339 -0.06701 20 2PZ 0.11206 -0.13177 -0.11015 0.07882 -0.05168 21 3S -1.89823 0.80597 0.30363 0.12092 1.17175 22 3PX 0.59196 -0.81569 -0.07532 0.22846 0.18355 23 3PY 1.30764 0.56428 0.00440 0.15254 -0.37631 24 3PZ -0.67956 1.35629 0.26666 -0.21975 0.27991 25 4XX 0.12555 0.07905 -0.15447 0.20375 0.06903 26 4YY -0.01033 -0.00533 0.00758 0.02281 0.01301 27 4ZZ -0.09127 -0.00618 0.08741 -0.24573 -0.08020 28 4XY -0.02490 -0.01105 -0.24785 -0.05568 0.02244 29 4XZ -0.04605 -0.02121 0.11899 0.01121 0.06150 30 4YZ -0.00474 -0.00069 -0.02430 -0.07455 0.00722 31 3 C 1S -0.00001 0.00001 -0.02262 -0.01887 0.00000 32 2S -0.00015 0.00025 -0.45097 -0.20944 -0.00004 33 2PX 0.00003 -0.00003 0.11652 0.01169 -0.00001 34 2PY -0.06308 -0.20287 -0.00006 -0.00003 0.01398 35 2PZ 0.00001 -0.00003 0.00354 0.00147 0.00000 36 3S 0.00050 -0.00085 1.47788 0.84460 0.00014 37 3PX -0.00003 0.00004 -0.16317 0.00635 0.00009 38 3PY -0.55350 -1.22031 -0.00026 -0.00012 0.18479 39 3PZ -0.00022 0.00012 -0.36981 -0.17743 0.00009 40 4XX -0.00004 0.00007 -0.23555 0.00780 0.00002 41 4YY 0.00001 -0.00006 0.17132 -0.04018 0.00000 42 4ZZ 0.00001 0.00001 0.03100 0.03386 -0.00003 43 4XY -0.03111 -0.13708 -0.00006 -0.00001 0.02983 44 4XZ -0.00001 -0.00003 0.13751 -0.10838 0.00001 45 4YZ 0.13787 0.15998 0.00001 0.00001 -0.02511 46 4 O 1S 0.01587 0.00316 0.02312 0.00412 -0.00570 47 2S 0.08203 0.05078 0.16115 0.02991 -0.03202 48 2PX -0.29760 -0.40069 -0.13404 -0.09174 0.05712 49 2PY 0.01111 0.20431 -0.03461 -0.00213 -0.00033 50 2PZ -0.07458 0.22293 -0.06889 -0.01145 -0.00971 51 3S -0.80812 0.25229 -0.83290 -0.12456 0.28201 52 3PX 0.54031 1.41957 0.30904 0.27712 -0.10530 53 3PY -0.26432 -0.56988 -0.09586 -0.04477 0.07875 54 3PZ 0.05228 -0.70401 0.10774 0.09008 0.02535 55 4XX 0.09919 0.02076 0.20350 -0.15976 0.04821 56 4YY 0.03545 0.10556 -0.14802 0.01986 -0.02456 57 4ZZ -0.03100 -0.08115 0.14089 0.16707 -0.06211 58 4XY -0.07210 -0.05402 -0.10630 -0.07786 0.06249 59 4XZ 0.09989 -0.01064 0.03842 -0.05983 -0.01871 60 4YZ -0.03432 -0.00584 0.09222 -0.11415 0.03442 61 5 H 1S 0.19123 -0.11308 0.10657 -0.01375 -0.02719 62 2S 0.28874 -0.20173 0.01894 -0.17490 -0.02195 63 6 H 1S -0.19124 0.11303 0.10675 -0.01371 0.02720 64 2S -0.28877 0.20170 0.01917 -0.17484 0.02189 65 7 H 1S -0.00006 0.00009 -0.15798 -0.12180 0.00001 66 2S -0.00013 0.00019 -0.42775 -0.09756 0.00002 67 8 O 1S -0.01586 -0.00317 0.02312 0.00411 0.00570 68 2S -0.08195 -0.05086 0.16103 0.02981 0.03197 69 2PX 0.29748 0.40083 -0.13394 -0.09169 -0.05711 70 2PY 0.01112 0.20432 0.03476 0.00220 -0.00034 71 2PZ 0.07448 -0.22288 -0.06903 -0.01149 0.00979 72 3S 0.80771 -0.25181 -0.83311 -0.12442 -0.28187 73 3PX -0.54003 -1.41998 0.30843 0.27688 0.10533 74 3PY -0.26425 -0.57007 0.09551 0.04458 0.07878 75 3PZ -0.05213 0.70396 0.10813 0.09018 -0.02560 76 4XX -0.09910 -0.02086 0.20349 -0.15979 -0.04816 77 4YY -0.03547 -0.10548 -0.14809 0.01979 0.02458 78 4ZZ 0.03102 0.08106 0.14089 0.16709 0.06200 79 4XY -0.07205 -0.05409 0.10631 0.07785 0.06243 80 4XZ -0.09988 0.01062 0.03851 -0.05980 0.01875 81 4YZ -0.03433 -0.00583 -0.09224 0.11411 0.03437 82 9 H 1S 0.00000 0.00003 -0.00088 -0.07497 -0.00003 83 2S -0.00002 0.00007 -0.13072 -0.10659 -0.00003 84 10 C 1S -0.03117 0.02922 0.00910 -0.00353 0.04953 85 2S -0.67339 0.56120 0.32350 0.03822 0.90291 86 2PX 0.18855 -0.05156 -0.03624 0.05439 0.12239 87 2PY 0.03635 0.05322 -0.07034 -0.06910 0.02594 88 2PZ -0.04534 -0.00427 -0.09303 0.00736 -0.07043 89 3S 1.59956 -2.60008 -0.33692 0.50607 -5.14103 90 3PX -1.06437 0.21031 -0.00234 -0.16945 -1.04394 91 3PY 0.11336 -0.12648 0.20148 0.53756 2.77053 92 3PZ 1.10872 0.28814 0.31215 0.09246 2.23190 93 4XX 0.05953 0.00907 -0.14624 -0.06646 -0.11376 94 4YY -0.01020 0.01263 0.05377 -0.02261 -0.01071 95 4ZZ -0.11226 0.03846 0.07487 0.10902 0.15342 96 4XY -0.00793 0.00972 0.00623 -0.10966 0.02346 97 4XZ 0.04929 -0.01284 0.05170 0.19406 0.16032 98 4YZ -0.04929 0.04449 -0.02238 -0.00903 0.02014 99 11 C 1S 0.00268 0.00523 0.01337 0.00486 0.00688 100 2S 0.03683 -0.26602 0.15232 0.06327 -0.12595 101 2PX 0.00627 0.11123 -0.03431 -0.01705 0.01388 102 2PY 0.04648 0.05504 -0.02070 0.03423 0.07724 103 2PZ 0.03070 -0.07825 -0.00741 0.02824 0.19219 104 3S 0.03313 0.98441 -0.49578 -0.11514 2.03359 105 3PX 0.15710 -0.18324 -0.03388 0.40227 0.52296 106 3PY -0.85800 -0.42934 -0.16381 -0.50372 -1.92288 107 3PZ -0.02073 0.94154 0.21981 -0.51222 -0.42097 108 4XX 0.02097 -0.00187 -0.06973 0.17009 0.04000 109 4YY 0.03073 0.01253 0.03483 0.02001 0.10293 110 4ZZ -0.03154 0.01546 0.02080 -0.18126 -0.09077 111 4XY -0.07053 0.04541 0.09550 0.10131 0.21608 112 4XZ 0.01306 0.04329 -0.06414 -0.11986 -0.06575 113 4YZ 0.02542 0.02121 -0.02055 -0.05692 -0.04072 114 12 C 1S -0.00227 0.01045 -0.02366 0.01802 0.01164 115 2S -0.15639 0.22417 -0.47484 0.19953 0.13364 116 2PX -0.01326 0.05939 0.04666 -0.11347 -0.05489 117 2PY -0.01824 -0.01182 0.04040 -0.04612 -0.00472 118 2PZ -0.13753 0.03578 -0.06033 -0.09415 -0.16673 119 3S -0.07632 -0.78879 0.98300 -0.80043 -1.66483 120 3PX 0.33967 -0.60502 -0.12102 0.40281 1.03497 121 3PY 0.33728 0.56061 0.15491 -0.11249 0.09468 122 3PZ 0.32135 -0.25691 0.20534 0.07667 0.34452 123 4XX -0.05253 0.05320 0.02885 -0.14508 -0.08982 124 4YY -0.01897 0.00320 -0.02688 0.03312 0.00987 125 4ZZ 0.04478 -0.04359 -0.05755 0.12909 0.07458 126 4XY 0.03371 0.02312 -0.08174 0.06339 0.02824 127 4XZ -0.02048 0.01879 0.06611 0.05454 0.08540 128 4YZ -0.01576 0.00524 0.02221 0.16984 0.04784 129 13 C 1S 0.00227 -0.01043 -0.02368 0.01803 -0.01165 130 2S 0.15624 -0.22379 -0.47511 0.19967 -0.13368 131 2PX 0.01328 -0.05943 0.04657 -0.11350 0.05488 132 2PY -0.01826 -0.01180 -0.04038 0.04612 -0.00471 133 2PZ 0.13751 -0.03571 -0.06039 -0.09416 0.16669 134 3S 0.07661 0.78814 0.98412 -0.80085 1.66478 135 3PX -0.33970 0.60494 -0.12043 0.40310 -1.03480 136 3PY 0.33717 0.56078 -0.15451 0.11275 0.09449 137 3PZ -0.32135 0.25686 0.20573 0.07684 -0.34462 138 4XX 0.05253 -0.05318 0.02874 -0.14510 0.08974 139 4YY 0.01897 -0.00318 -0.02687 0.03315 -0.00990 140 4ZZ -0.04479 0.04360 -0.05748 0.12910 -0.07446 141 4XY 0.03373 0.02311 0.08176 -0.06338 0.02813 142 4XZ 0.02051 -0.01884 0.06611 0.05453 -0.08536 143 4YZ -0.01574 0.00527 -0.02220 -0.16986 0.04776 144 14 C 1S -0.00268 -0.00523 0.01337 0.00485 -0.00688 145 2S -0.03681 0.26595 0.15240 0.06326 0.12599 146 2PX -0.00631 -0.11121 -0.03434 -0.01704 -0.01391 147 2PY 0.04645 0.05505 0.02076 -0.03417 0.07718 148 2PZ -0.03071 0.07824 -0.00737 0.02825 -0.19216 149 3S -0.03305 -0.98408 -0.49644 -0.11495 -2.03385 150 3PX -0.15702 0.18328 -0.03403 0.40231 -0.52280 151 3PY -0.85769 -0.42957 0.16321 0.50357 -1.92240 152 3PZ 0.02080 -0.94160 0.21925 -0.51250 0.42036 153 4XX -0.02099 0.00190 -0.06966 0.17012 -0.03994 154 4YY -0.03072 -0.01259 0.03476 0.01996 -0.10286 155 4ZZ 0.03155 -0.01541 0.02077 -0.18124 0.09065 156 4XY -0.07056 0.04549 -0.09540 -0.10127 0.21611 157 4XZ -0.01309 -0.04322 -0.06419 -0.11988 0.06580 158 4YZ 0.02542 0.02119 0.02058 0.05697 -0.04070 159 15 C 1S 0.03118 -0.02923 0.00907 -0.00353 -0.04954 160 2S 0.67362 -0.56140 0.32288 0.03812 -0.90294 161 2PX -0.18859 0.05155 -0.03615 0.05442 -0.12233 162 2PY 0.03635 0.05314 0.07038 0.06913 0.02598 163 2PZ 0.04532 0.00431 -0.09303 0.00735 0.07045 164 3S -1.60007 2.60014 -0.33416 0.50669 5.14140 165 3PX 1.06436 -0.21024 -0.00252 -0.16953 1.04371 166 3PY 0.11357 -0.12607 -0.20115 -0.53761 2.77053 167 3PZ -1.10848 -0.28846 0.31190 0.09238 -2.23131 168 4XX -0.05961 -0.00895 -0.14621 -0.06646 0.11372 169 4YY 0.01025 -0.01269 0.05375 -0.02261 0.01069 170 4ZZ 0.11230 -0.03853 0.07481 0.10901 -0.15336 171 4XY -0.00797 0.00973 -0.00622 0.10963 0.02337 172 4XZ -0.04926 0.01276 0.05171 0.19408 -0.16026 173 4YZ -0.04933 0.04450 0.02242 0.00902 0.02009 174 16 H 1S -0.44732 0.19598 -0.05014 -0.14886 -0.38546 175 2S -0.73901 0.30847 -0.06918 -0.15486 -0.72773 176 17 H 1S 0.23823 0.03845 0.16174 0.15252 0.25633 177 2S 0.29062 -0.01337 0.04430 0.21547 0.48504 178 18 H 1S 0.02921 -0.07099 -0.08841 0.10197 0.19931 179 2S 0.03007 0.04836 -0.03598 0.18953 0.32906 180 19 H 1S -0.02927 0.07105 -0.08836 0.10206 -0.19935 181 2S -0.03013 -0.04831 -0.03600 0.18965 -0.32910 182 20 H 1S -0.23816 -0.03860 0.16168 0.15244 -0.25624 183 2S -0.29050 0.01325 0.04417 0.21536 -0.48475 184 21 H 1S 0.44728 -0.19586 -0.05027 -0.14891 0.38532 185 2S 0.73904 -0.30835 -0.06945 -0.15497 0.72759 186 22 H 1S -0.08409 0.14724 -0.10319 0.09532 -0.10443 187 2S -0.22152 0.20803 -0.16650 -0.15183 -0.24701 188 23 H 1S 0.08405 -0.14715 -0.10334 0.09532 0.10439 189 2S 0.22146 -0.20787 -0.16681 -0.15184 0.24694 121 122 123 124 125 V V V V V Eigenvalues -- 1.44140 1.46298 1.48673 1.53314 1.56387 1 1 C 1S 0.00938 0.01923 -0.00278 0.01315 0.01254 2 2S 0.16051 0.27597 -0.12749 0.33376 -0.03134 3 2PX 0.10324 0.06933 -0.01679 0.10650 -0.04723 4 2PY 0.01881 0.00382 0.04226 -0.03985 0.00253 5 2PZ 0.07023 0.06908 -0.05208 0.06976 0.04358 6 3S -0.41349 -0.81541 1.20689 -0.77899 0.89613 7 3PX -0.04831 0.02187 -0.33412 -0.07990 -1.05678 8 3PY 0.07476 0.27822 0.99041 0.31447 -0.25597 9 3PZ -0.12778 -0.24067 0.70346 -0.15224 0.30047 10 4XX -0.18102 0.01174 -0.06918 0.01372 -0.00235 11 4YY 0.04355 0.05876 0.01656 0.05110 -0.00539 12 4ZZ 0.12285 -0.08186 0.08148 -0.09646 0.08969 13 4XY -0.25744 -0.01954 0.04600 -0.00812 -0.00887 14 4XZ -0.09088 0.02200 0.01314 -0.01934 -0.01460 15 4YZ -0.20779 0.03223 0.03902 0.04747 -0.03632 16 2 C 1S 0.00938 0.01922 0.00278 0.01315 -0.01255 17 2S 0.16062 0.27582 0.12752 0.33373 0.03116 18 2PX 0.10330 0.06927 0.01681 0.10650 0.04722 19 2PY -0.01878 -0.00385 0.04225 0.03985 0.00251 20 2PZ 0.07020 0.06908 0.05211 0.06972 -0.04359 21 3S -0.41390 -0.81494 -1.20676 -0.77883 -0.89551 22 3PX -0.04837 0.02201 0.33408 -0.07988 1.05675 23 3PY -0.07448 -0.27838 0.99061 -0.31479 -0.25562 24 3PZ -0.12774 -0.24068 -0.70340 -0.15206 -0.30038 25 4XX -0.18108 0.01177 0.06923 0.01368 0.00239 26 4YY 0.04353 0.05878 -0.01656 0.05111 0.00538 27 4ZZ 0.12292 -0.08190 -0.08154 -0.09643 -0.08972 28 4XY 0.25743 0.01955 0.04603 0.00811 -0.00884 29 4XZ -0.09088 0.02203 -0.01315 -0.01932 0.01459 30 4YZ 0.20778 -0.03222 0.03903 -0.04746 -0.03626 31 3 C 1S -0.01050 -0.02737 0.00000 -0.02245 0.00001 32 2S -0.19017 -0.35420 0.00002 -0.27264 0.00011 33 2PX -0.00546 0.03564 -0.00001 0.01998 -0.00002 34 2PY -0.00003 0.00001 -0.11156 0.00001 -0.10501 35 2PZ -0.03036 -0.03288 0.00000 -0.03930 0.00000 36 3S 0.72223 1.57213 -0.00012 1.25971 -0.00055 37 3PX 0.29695 0.24151 -0.00001 0.27736 -0.00009 38 3PY -0.00016 0.00005 -0.38355 0.00001 -0.20251 39 3PZ 0.30799 0.08601 -0.00002 0.16469 0.00000 40 4XX 0.03062 -0.01195 0.00002 0.00892 0.00000 41 4YY 0.05456 0.04022 0.00001 0.01872 -0.00003 42 4ZZ -0.08915 -0.02025 -0.00003 -0.01475 0.00003 43 4XY -0.00003 0.00002 -0.23553 0.00003 0.06824 44 4XZ 0.06495 -0.01297 -0.00002 -0.01880 0.00000 45 4YZ 0.00001 0.00001 -0.45729 0.00007 0.21560 46 4 O 1S -0.00034 0.00208 0.02342 0.00646 0.05017 47 2S 0.02725 0.05444 0.35133 0.11975 0.92095 48 2PX 0.00335 -0.07247 -0.02440 -0.02793 0.09157 49 2PY 0.02777 0.06619 0.11360 0.04316 0.15011 50 2PZ 0.10076 0.06323 0.09500 0.06282 -0.11095 51 3S -0.09092 -0.14549 -1.13372 -0.31127 -2.50864 52 3PX 0.10169 0.45845 0.01331 0.28597 -0.39511 53 3PY -0.13768 -0.28361 -0.45110 -0.26317 -0.50067 54 3PZ -0.37367 -0.27395 -0.29529 -0.23721 0.52223 55 4XX 0.16975 -0.02403 0.02041 -0.02800 0.35098 56 4YY 0.02398 -0.00746 0.17641 0.02925 0.34553 57 4ZZ -0.18457 0.07008 0.08363 0.08707 -0.02108 58 4XY 0.06188 -0.05491 0.10325 -0.04252 -0.03620 59 4XZ 0.04300 -0.02504 -0.15572 -0.04487 -0.13258 60 4YZ 0.10341 -0.01746 0.29791 -0.03494 -0.18432 61 5 H 1S 0.06374 0.13118 0.18128 0.10250 -0.01977 62 2S -0.01707 0.03512 0.29912 0.13996 -0.07219 63 6 H 1S 0.06372 0.13119 -0.18132 0.10255 0.01968 64 2S -0.01705 0.03509 -0.29916 0.14012 0.07213 65 7 H 1S 0.02382 -0.11254 0.00001 -0.07450 0.00004 66 2S 0.02665 -0.10813 0.00002 -0.02866 0.00005 67 8 O 1S -0.00035 0.00208 -0.02342 0.00646 -0.05017 68 2S 0.02709 0.05447 -0.35132 0.11972 -0.92099 69 2PX 0.00341 -0.07249 0.02442 -0.02793 -0.09152 70 2PY -0.02773 -0.06621 0.11362 -0.04317 0.15015 71 2PZ 0.10072 0.06325 -0.09501 0.06285 0.11091 72 3S -0.09049 -0.14562 1.13374 -0.31122 2.50876 73 3PX 0.10150 0.45850 -0.01339 0.28598 0.39481 74 3PY 0.13751 0.28372 -0.45120 0.26324 -0.50085 75 3PZ -0.37356 -0.27398 0.29534 -0.23732 -0.52206 76 4XX 0.16976 -0.02406 -0.02046 -0.02803 -0.35098 77 4YY 0.02390 -0.00744 -0.17643 0.02924 -0.34550 78 4ZZ -0.18463 0.07011 -0.08356 0.08708 0.02103 79 4XY -0.06191 0.05493 0.10325 0.04248 -0.03623 80 4XZ 0.04303 -0.02504 0.15570 -0.04488 0.13259 81 4YZ -0.10340 0.01745 0.29795 0.03482 -0.18434 82 9 H 1S -0.08102 -0.15985 0.00000 -0.15857 0.00005 83 2S -0.17371 -0.25744 0.00001 -0.22682 0.00006 84 10 C 1S -0.00270 0.00163 0.00073 0.00375 -0.00230 85 2S -0.00589 -0.17433 0.16645 -0.13243 0.11641 86 2PX 0.07801 -0.07062 -0.03913 0.04425 -0.05910 87 2PY -0.04396 0.08791 -0.00470 0.07030 -0.02252 88 2PZ 0.03102 0.13652 -0.06149 0.19854 -0.01873 89 3S 0.38518 -0.40577 -0.87342 -0.51760 0.51466 90 3PX -0.17666 0.07215 -0.38913 0.20621 0.36324 91 3PY 0.41634 -0.51445 0.28473 -0.59099 -0.27599 92 3PZ 0.14963 -0.20432 0.87023 -0.27040 -0.38673 93 4XX -0.14190 -0.03458 0.01586 -0.09012 -0.08197 94 4YY 0.01132 0.00714 0.00373 -0.06490 -0.00013 95 4ZZ 0.14457 0.02643 -0.04309 0.18482 0.05808 96 4XY -0.04858 -0.24120 0.02037 0.40928 -0.02194 97 4XZ 0.18499 0.06337 -0.10524 0.04768 -0.03189 98 4YZ 0.05614 -0.00900 -0.02361 0.26785 -0.01033 99 11 C 1S -0.01078 -0.04231 -0.00030 -0.01461 0.02192 100 2S -0.09050 -0.48611 0.14066 -0.06226 0.41656 101 2PX 0.03342 0.06893 -0.13451 0.03969 -0.07313 102 2PY 0.08532 -0.04512 0.02389 -0.03546 -0.06148 103 2PZ 0.06332 0.06745 -0.02455 0.01700 -0.04957 104 3S 0.16292 1.73997 0.22142 0.14510 -1.51067 105 3PX 0.13895 0.09197 0.04224 -0.67321 -0.29099 106 3PY -0.35095 0.33592 -0.46210 0.54002 0.83503 107 3PZ -0.42280 -0.09790 0.35572 0.51686 0.25128 108 4XX 0.04853 -0.13949 -0.10991 -0.02557 -0.00831 109 4YY 0.08148 0.01969 0.02671 -0.00022 -0.01446 110 4ZZ -0.14009 0.07052 0.06687 0.01351 -0.00634 111 4XY 0.13845 0.18349 -0.12804 0.03943 -0.08376 112 4XZ -0.10003 -0.10620 0.06122 0.05445 -0.08716 113 4YZ -0.01119 0.16329 -0.02032 -0.03368 -0.07279 114 12 C 1S 0.00348 0.03315 -0.01576 -0.01335 -0.03624 115 2S -0.11506 0.38851 -0.20399 -0.17956 -0.45637 116 2PX 0.07359 0.02904 -0.01028 -0.04530 -0.07831 117 2PY 0.04555 -0.03212 -0.00597 0.05142 -0.04418 118 2PZ -0.06997 0.03209 -0.05653 0.09619 -0.00787 119 3S -0.30005 -1.21885 0.51983 0.88461 2.30593 120 3PX 0.07001 0.05406 0.12688 -0.23105 0.02752 121 3PY -0.16004 -0.32896 0.15351 0.14685 -0.25758 122 3PZ 0.04691 -0.26523 0.23761 0.04800 0.35582 123 4XX -0.05397 0.20154 -0.01897 -0.00384 -0.06812 124 4YY 0.00678 0.03587 -0.01410 0.05403 0.00584 125 4ZZ 0.05482 -0.19890 0.00876 -0.05601 0.03924 126 4XY 0.08469 -0.17019 0.01870 -0.15779 -0.02866 127 4XZ 0.03513 -0.03491 -0.02766 0.13538 -0.05160 128 4YZ 0.06341 -0.19531 -0.03714 0.05816 0.03332 129 13 C 1S 0.00349 0.03314 0.01575 -0.01336 0.03623 130 2S -0.11499 0.38834 0.20395 -0.17970 0.45628 131 2PX 0.07354 0.02908 0.01026 -0.04529 0.07830 132 2PY -0.04553 0.03212 -0.00597 -0.05143 -0.04417 133 2PZ -0.07008 0.03215 0.05658 0.09615 0.00790 134 3S -0.30088 -1.21789 -0.51942 0.88493 -2.30540 135 3PX 0.07074 0.05354 -0.12701 -0.23107 -0.02758 136 3PY 0.16024 0.32899 0.15339 -0.14684 -0.25771 137 3PZ 0.04720 -0.26534 -0.23764 0.04793 -0.35583 138 4XX -0.05403 0.20155 0.01901 -0.00391 0.06818 139 4YY 0.00678 0.03586 0.01412 0.05407 -0.00585 140 4ZZ 0.05487 -0.19891 -0.00883 -0.05598 -0.03930 141 4XY -0.08469 0.17022 0.01880 0.15776 -0.02858 142 4XZ 0.03516 -0.03489 0.02769 0.13541 0.05160 143 4YZ -0.06344 0.19536 -0.03710 -0.05815 0.03334 144 14 C 1S -0.01078 -0.04231 0.00030 -0.01461 -0.02190 145 2S -0.09059 -0.48611 -0.14059 -0.06219 -0.41631 146 2PX 0.03343 0.06890 0.13451 0.03964 0.07310 147 2PY -0.08533 0.04513 0.02390 0.03543 -0.06149 148 2PZ 0.06343 0.06738 0.02454 0.01700 0.04954 149 3S 0.16404 1.73953 -0.22162 0.14491 1.50982 150 3PX 0.13925 0.09176 -0.04236 -0.67307 0.29098 151 3PY 0.35180 -0.33643 -0.46219 -0.53992 0.83508 152 3PZ -0.42325 -0.09748 -0.35546 0.51675 -0.25087 153 4XX 0.04860 -0.13950 0.10989 -0.02554 0.00827 154 4YY 0.08149 0.01966 -0.02671 -0.00021 0.01449 155 4ZZ -0.14014 0.07053 -0.06684 0.01347 0.00638 156 4XY -0.13854 -0.18338 -0.12804 -0.03944 -0.08381 157 4XZ -0.10010 -0.10621 -0.06123 0.05440 0.08715 158 4YZ 0.01128 -0.16332 -0.02034 0.03371 -0.07283 159 15 C 1S -0.00268 0.00161 -0.00073 0.00375 0.00230 160 2S -0.00560 -0.17456 -0.16655 -0.13247 -0.11648 161 2PX 0.07812 -0.07068 0.03914 0.04428 0.05909 162 2PY 0.04396 -0.08792 -0.00475 -0.07034 -0.02253 163 2PZ 0.03099 0.13653 0.06156 0.19853 0.01873 164 3S 0.38336 -0.40446 0.87321 -0.51762 -0.51458 165 3PX -0.17729 0.07244 0.38918 0.20601 -0.36318 166 3PY -0.41772 0.51556 0.28517 0.59080 -0.27600 167 3PZ 0.15066 -0.20475 -0.87034 -0.27014 0.38654 168 4XX -0.14195 -0.03455 -0.01584 -0.09010 0.08203 169 4YY 0.01133 0.00716 -0.00375 -0.06485 0.00011 170 4ZZ 0.14462 0.02637 0.04310 0.18475 -0.05812 171 4XY 0.04854 0.24120 0.02027 -0.40928 -0.02193 172 4XZ 0.18510 0.06333 0.10525 0.04766 0.03186 173 4YZ -0.05615 0.00902 -0.02367 -0.26789 -0.01027 174 16 H 1S -0.17112 0.07825 -0.16835 0.07807 0.04454 175 2S -0.16436 0.23261 -0.28840 0.28745 0.17332 176 17 H 1S -0.02400 -0.24026 0.04475 -0.18989 -0.06556 177 2S 0.15822 -0.32274 0.17377 -0.22281 -0.12598 178 18 H 1S 0.02536 0.12225 -0.02464 -0.05446 -0.07917 179 2S 0.06251 0.09208 0.00517 -0.14046 -0.19864 180 19 H 1S 0.02549 0.12215 0.02461 -0.05452 0.07913 181 2S 0.06275 0.09189 -0.00526 -0.14046 0.19854 182 20 H 1S -0.02391 -0.24033 -0.04477 -0.18984 0.06565 183 2S 0.15837 -0.32289 -0.17380 -0.22269 0.12608 184 21 H 1S -0.17136 0.07839 0.16842 0.07799 -0.04449 185 2S -0.16483 0.23286 0.28853 0.28732 -0.17327 186 22 H 1S -0.02730 0.16911 -0.10070 -0.00138 -0.13361 187 2S 0.02033 0.16210 -0.18068 -0.01085 -0.27949 188 23 H 1S -0.02736 0.16914 0.10071 -0.00140 0.13358 189 2S 0.02015 0.16220 0.18067 -0.01090 0.27945 126 127 128 129 130 V V V V V Eigenvalues -- 1.58414 1.62900 1.64403 1.67985 1.73243 1 1 C 1S 0.04067 -0.00843 0.02736 0.00906 0.01833 2 2S 0.52719 -0.22192 0.21655 -0.04799 0.22448 3 2PX 0.01803 -0.09470 0.05090 -0.00756 0.06145 4 2PY -0.07979 0.01178 -0.09699 -0.05757 0.08124 5 2PZ 0.01400 -0.10763 -0.02668 -0.00418 0.04732 6 3S -2.00391 0.73831 -0.54116 -0.27128 -0.77411 7 3PX 0.05165 0.04196 -0.48874 -0.07955 0.16835 8 3PY 0.96013 0.15221 0.97590 0.43163 0.08405 9 3PZ -0.23824 0.08472 0.66858 0.34501 -0.28490 10 4XX -0.07815 -0.23518 0.16380 0.13937 0.05905 11 4YY 0.00160 -0.01017 -0.00344 -0.02876 -0.03150 12 4ZZ 0.10230 0.25185 -0.09968 -0.07161 0.01784 13 4XY 0.10245 0.03038 -0.07174 -0.24329 -0.13855 14 4XZ 0.07966 -0.00448 0.10578 0.15829 0.14889 15 4YZ 0.10898 -0.08452 0.11830 -0.13204 -0.05636 16 2 C 1S 0.04067 0.00842 -0.02736 0.00906 0.01833 17 2S 0.52734 0.22181 -0.21650 -0.04800 0.22448 18 2PX 0.01807 0.09470 -0.05089 -0.00755 0.06145 19 2PY 0.07979 0.01177 -0.09698 0.05755 -0.08127 20 2PZ 0.01404 0.10763 0.02666 -0.00417 0.04733 21 3S -2.00497 -0.73798 0.54105 -0.27106 -0.77411 22 3PX 0.05221 -0.04203 0.48867 -0.07970 0.16842 23 3PY -0.95974 0.15231 0.97590 -0.43164 -0.08386 24 3PZ -0.23877 -0.08465 -0.66849 0.34506 -0.28504 25 4XX -0.07810 0.23518 -0.16382 0.13937 0.05903 26 4YY 0.00161 0.01019 0.00343 -0.02876 -0.03149 27 4ZZ 0.10220 -0.25189 0.09970 -0.07161 0.01783 28 4XY -0.10246 0.03037 -0.07178 0.24328 0.13852 29 4XZ 0.07965 0.00446 -0.10582 0.15830 0.14888 30 4YZ -0.10900 -0.08449 0.11823 0.13205 0.05637 31 3 C 1S -0.04643 0.00001 0.00000 -0.03928 0.02830 32 2S -0.53515 0.00007 -0.00001 -0.51802 0.45830 33 2PX 0.09171 -0.00001 0.00001 0.11897 -0.03047 34 2PY -0.00002 0.04567 -0.14168 0.00001 -0.00001 35 2PZ -0.04882 0.00000 0.00000 -0.08691 0.00223 36 3S 2.74925 -0.00031 0.00005 2.87782 -1.93198 37 3PX 0.45493 -0.00006 0.00000 0.75714 -0.55806 38 3PY -0.00005 0.21991 -0.48695 0.00000 -0.00005 39 3PZ 0.07270 0.00002 -0.00005 0.25040 0.35587 40 4XX -0.01593 0.00000 0.00000 -0.07969 -0.06671 41 4YY 0.11185 0.00000 0.00001 0.20625 -0.07575 42 4ZZ -0.05340 0.00000 -0.00001 -0.10377 0.13787 43 4XY -0.00001 0.02137 -0.16949 -0.00001 -0.00002 44 4XZ 0.07367 0.00000 0.00000 -0.02836 0.16617 45 4YZ 0.00000 -0.10870 -0.09299 0.00000 -0.00002 46 4 O 1S 0.00413 -0.00369 0.00932 0.04053 -0.04801 47 2S 0.02559 -0.00657 0.05012 0.59307 -0.58847 48 2PX -0.15428 -0.00057 -0.04808 -0.00245 0.00415 49 2PY 0.13994 0.03824 -0.00198 0.14688 -0.00916 50 2PZ 0.16758 -0.06126 0.08888 0.04748 0.02382 51 3S -0.08047 0.02845 -0.35059 -1.93803 2.11730 52 3PX 0.89316 -0.17046 0.36382 0.33588 0.07056 53 3PY -0.64910 0.01020 -0.26617 -0.87770 0.54102 54 3PZ -0.67196 0.07621 -0.31485 -0.34441 -0.17289 55 4XX 0.03002 0.25980 -0.26316 0.16586 -0.14370 56 4YY -0.05156 -0.08043 0.18195 0.18370 -0.29654 57 4ZZ 0.04478 -0.18953 0.14447 0.09031 0.02488 58 4XY -0.03606 0.10597 -0.01069 -0.15153 -0.00930 59 4XZ 0.02905 0.04040 0.00412 -0.08155 0.23001 60 4YZ 0.07753 0.23891 -0.04728 -0.04680 0.02469 61 5 H 1S 0.27280 -0.11765 0.34735 0.22661 0.09205 62 2S 0.37652 0.01302 0.64707 0.30359 0.03804 63 6 H 1S 0.27277 0.11761 -0.34736 0.22661 0.09201 64 2S 0.37644 -0.01307 -0.64705 0.30358 0.03794 65 7 H 1S -0.23821 0.00003 -0.00001 -0.08411 0.08231 66 2S -0.20622 0.00002 -0.00002 -0.06607 0.19711 67 8 O 1S 0.00411 0.00369 -0.00932 0.04054 -0.04801 68 2S 0.02522 0.00655 -0.05011 0.59316 -0.58845 69 2PX -0.15429 0.00060 0.04808 -0.00243 0.00416 70 2PY -0.13988 0.03826 -0.00197 -0.14689 0.00915 71 2PZ 0.16760 0.06125 -0.08888 0.04746 0.02382 72 3S -0.07931 -0.02840 0.35058 -1.93834 2.11731 73 3PX 0.89330 0.17029 -0.36377 0.33577 0.07054 74 3PY 0.64891 0.01009 -0.26618 0.87777 -0.54102 75 3PZ -0.67206 -0.07611 0.31483 -0.34426 -0.17290 76 4XX 0.02986 -0.25981 0.26316 0.16587 -0.14368 77 4YY -0.05169 0.08039 -0.18194 0.18372 -0.29655 78 4ZZ 0.04479 0.18957 -0.14448 0.09034 0.02487 79 4XY 0.03608 0.10596 -0.01067 0.15156 0.00929 80 4XZ 0.02911 -0.04041 -0.00413 -0.08156 0.22999 81 4YZ -0.07752 0.23890 -0.04730 0.04685 -0.02470 82 9 H 1S -0.25235 0.00003 0.00000 -0.26940 0.06816 83 2S -0.34877 0.00003 0.00001 -0.45995 0.09337 84 10 C 1S -0.00060 -0.02160 -0.02047 0.00959 -0.00548 85 2S 0.04573 -0.48680 -0.38911 0.08342 -0.06796 86 2PX -0.03392 -0.00537 0.01781 -0.04113 -0.06330 87 2PY -0.00403 0.02631 0.00994 -0.02508 -0.09795 88 2PZ -0.00590 0.11272 0.08268 -0.04930 0.11181 89 3S -0.09945 2.72346 2.46942 -0.21991 0.02509 90 3PX 0.00491 0.85728 0.57659 0.06403 -0.08468 91 3PY 0.06227 -1.27713 -0.53981 0.09857 0.34373 92 3PZ 0.21749 -1.93383 -1.67349 0.14645 0.17777 93 4XX 0.01867 -0.01250 -0.10259 0.12540 0.09065 94 4YY 0.03278 -0.00945 -0.01717 0.06437 -0.12718 95 4ZZ -0.05555 0.05246 0.12354 -0.19002 0.04829 96 4XY -0.03339 -0.07335 -0.08489 -0.01837 -0.08621 97 4XZ -0.10103 0.14829 0.17416 -0.11086 -0.20217 98 4YZ 0.02203 0.03328 0.02884 -0.09133 -0.02991 99 11 C 1S -0.05602 -0.00146 0.03657 0.02155 -0.01405 100 2S -0.71944 0.06014 0.54505 0.14551 -0.12216 101 2PX 0.06381 0.06371 -0.03482 -0.07048 0.00257 102 2PY -0.01493 -0.02049 0.01488 0.02119 0.09579 103 2PZ 0.08754 -0.10291 -0.06337 0.00060 -0.03760 104 3S 2.36984 -1.38703 -3.02922 -0.58489 0.45440 105 3PX -0.06889 -0.14276 0.02323 -0.08803 0.07129 106 3PY 0.03201 1.04097 0.96477 -0.45649 -0.74320 107 3PZ -0.79591 -0.09219 0.02301 0.20398 -0.02669 108 4XX 0.09341 0.13612 0.09540 0.03003 0.01165 109 4YY -0.07407 -0.01157 0.06449 -0.09221 0.01322 110 4ZZ -0.07267 -0.14084 -0.16991 0.09676 -0.03441 111 4XY -0.16168 0.11950 0.11188 -0.02559 0.08324 112 4XZ 0.06433 -0.16395 -0.22862 0.04360 0.05366 113 4YZ -0.11109 0.04831 -0.01795 0.06227 -0.16043 114 12 C 1S 0.02933 0.01378 -0.03129 -0.01083 0.01264 115 2S 0.34055 0.17088 -0.39401 -0.13447 0.14420 116 2PX 0.06272 0.00320 -0.01373 -0.00117 -0.05944 117 2PY -0.00889 -0.01624 -0.02862 -0.06732 0.04614 118 2PZ -0.01444 0.08036 0.02478 0.02397 0.07936 119 3S -1.52506 0.04358 2.13552 0.56102 -0.49538 120 3PX 0.34017 -0.52601 -0.51523 -0.03106 0.18383 121 3PY -0.44513 -0.04230 -0.31619 0.34542 -0.00077 122 3PZ -0.20577 -0.32611 0.07649 0.02765 -0.27842 123 4XX -0.11338 0.01154 -0.02944 -0.00063 -0.07462 124 4YY 0.00915 0.01786 0.01855 -0.03729 0.19545 125 4ZZ 0.14077 -0.01801 0.00713 0.02360 -0.10997 126 4XY 0.23738 -0.01245 -0.01325 -0.14303 -0.13298 127 4XZ -0.04411 -0.03701 -0.03748 0.11661 0.20800 128 4YZ 0.02300 0.05952 0.10128 0.19886 0.05963 129 13 C 1S 0.02934 -0.01379 0.03129 -0.01082 0.01264 130 2S 0.34070 -0.17098 0.39399 -0.13434 0.14424 131 2PX 0.06273 -0.00321 0.01373 -0.00119 -0.05944 132 2PY 0.00887 -0.01628 -0.02865 0.06730 -0.04615 133 2PZ -0.01444 -0.08037 -0.02477 0.02397 0.07936 134 3S -1.52584 -0.04325 -2.13538 0.56040 -0.49551 135 3PX 0.34028 0.52592 0.51523 -0.03087 0.18377 136 3PY 0.44519 -0.04221 -0.31606 -0.34550 0.00076 137 3PZ -0.20573 0.32631 -0.07640 0.02759 -0.27851 138 4XX -0.11332 -0.01156 0.02944 -0.00069 -0.07470 139 4YY 0.00911 -0.01786 -0.01857 -0.03723 0.19548 140 4ZZ 0.14076 0.01801 -0.00712 0.02362 -0.10993 141 4XY -0.23739 -0.01247 -0.01330 0.14300 0.13293 142 4XZ -0.04414 0.03699 0.03745 0.11664 0.20804 143 4YZ -0.02303 0.05955 0.10129 -0.19884 -0.05958 144 14 C 1S -0.05603 0.00147 -0.03658 0.02154 -0.01406 145 2S -0.71961 -0.06002 -0.54507 0.14548 -0.12217 146 2PX 0.06386 -0.06369 0.03485 -0.07049 0.00258 147 2PY 0.01489 -0.02047 0.01492 -0.02119 -0.09577 148 2PZ 0.08759 0.10289 0.06337 0.00061 -0.03762 149 3S 2.37051 1.38668 3.02932 -0.58437 0.45469 150 3PX -0.06874 0.14261 -0.02344 -0.08798 0.07120 151 3PY -0.03155 1.04056 0.96435 0.45671 0.74329 152 3PZ -0.79607 0.09246 -0.02279 0.20396 -0.02645 153 4XX 0.09339 -0.13615 -0.09544 0.03002 0.01168 154 4YY -0.07406 0.01158 -0.06447 -0.09218 0.01313 155 4ZZ -0.07265 0.14085 0.16992 0.09675 -0.03436 156 4XY 0.16158 0.11942 0.11184 0.02564 -0.08320 157 4XZ 0.06437 0.16395 0.22863 0.04366 0.05367 158 4YZ 0.11106 0.04830 -0.01800 -0.06229 0.16049 159 15 C 1S -0.00059 0.02160 0.02047 0.00959 -0.00547 160 2S 0.04578 0.48683 0.38907 0.08350 -0.06782 161 2PX -0.03388 0.00540 -0.01780 -0.04112 -0.06333 162 2PY 0.00401 0.02632 0.00992 0.02509 0.09793 163 2PZ -0.00590 -0.11272 -0.08265 -0.04934 0.11181 164 3S -0.09997 -2.72340 -2.46945 -0.22037 0.02453 165 3PX 0.00473 -0.85719 -0.57649 0.06379 -0.08466 166 3PY -0.06258 -1.27742 -0.53992 -0.09889 -0.34388 167 3PZ 0.21773 1.93352 1.67327 0.14692 0.17796 168 4XX 0.01865 0.01243 0.10256 0.12542 0.09063 169 4YY 0.03279 0.00943 0.01716 0.06434 -0.12719 170 4ZZ -0.05553 -0.05238 -0.12349 -0.19002 0.04829 171 4XY 0.03339 -0.07341 -0.08493 0.01838 0.08623 172 4XZ -0.10097 -0.14825 -0.17416 -0.11091 -0.20220 173 4YZ -0.02203 0.03326 0.02882 0.09139 0.02987 174 16 H 1S -0.06987 0.32726 0.15577 0.06289 -0.20912 175 2S -0.06470 0.66268 0.41818 -0.04234 -0.09353 176 17 H 1S -0.29126 -0.08852 0.05401 0.24693 0.06007 177 2S -0.27523 -0.25827 -0.03617 0.25991 0.32695 178 18 H 1S 0.14523 -0.03898 -0.18405 -0.00293 0.05816 179 2S 0.06356 -0.12581 -0.15305 -0.12012 -0.08440 180 19 H 1S 0.14527 0.03896 0.18405 -0.00289 0.05814 181 2S 0.06368 0.12586 0.15308 -0.12007 -0.08443 182 20 H 1S -0.29125 0.08848 -0.05411 0.24693 0.06008 183 2S -0.27518 0.25813 0.03597 0.25996 0.32694 184 21 H 1S -0.06990 -0.32722 -0.15572 0.06279 -0.20913 185 2S -0.06480 -0.66265 -0.41810 -0.04253 -0.09357 186 22 H 1S 0.06027 0.18494 -0.02867 -0.06298 0.06072 187 2S 0.16025 0.21075 -0.03009 -0.07892 0.02387 188 23 H 1S 0.06029 -0.18496 0.02864 -0.06297 0.06074 189 2S 0.16032 -0.21078 0.03010 -0.07892 0.02393 131 132 133 134 135 V V V V V Eigenvalues -- 1.74684 1.75980 1.79216 1.85800 1.87089 1 1 C 1S -0.03854 0.00795 0.00717 0.00382 0.01153 2 2S -0.55595 0.11240 0.08816 -0.02309 0.31145 3 2PX -0.15485 0.00019 -0.10881 -0.03035 -0.05037 4 2PY 0.04909 0.05800 0.01458 0.00055 -0.03020 5 2PZ 0.05750 0.03554 -0.01150 0.02130 0.14154 6 3S 1.88106 -0.21802 0.24300 -0.10250 -0.43617 7 3PX 1.14367 0.09520 -0.03580 0.33226 0.02889 8 3PY 0.39750 -0.13694 -0.37002 0.07272 0.07386 9 3PZ -0.78101 -0.28067 -0.07483 -0.45493 -0.11375 10 4XX -0.01418 -0.04517 -0.14397 -0.00169 -0.14891 11 4YY 0.00747 0.00738 0.06343 0.00630 0.10866 12 4ZZ -0.01673 0.04903 0.06600 0.00308 -0.00801 13 4XY -0.03406 0.02106 0.21683 -0.02318 0.11787 14 4XZ 0.01694 -0.00119 -0.15221 0.01278 0.13628 15 4YZ -0.13590 0.00436 -0.00222 -0.03486 -0.18356 16 2 C 1S 0.03854 0.00795 0.00716 -0.00382 0.01153 17 2S 0.55606 0.11246 0.08809 0.02301 0.31148 18 2PX 0.15489 0.00021 -0.10883 0.03034 -0.05036 19 2PY 0.04913 -0.05801 -0.01460 0.00054 0.03018 20 2PZ -0.05749 0.03555 -0.01147 -0.02132 0.14154 21 3S -1.88122 -0.21825 0.24316 0.10261 -0.43620 22 3PX -1.14382 0.09522 -0.03544 -0.33231 0.02881 23 3PY 0.39734 0.13706 0.37007 0.07274 -0.07375 24 3PZ 0.78103 -0.28071 -0.07512 0.45495 -0.11367 25 4XX 0.01411 -0.04516 -0.14396 0.00172 -0.14892 26 4YY -0.00741 0.00738 0.06342 -0.00630 0.10863 27 4ZZ 0.01671 0.04902 0.06598 -0.00310 -0.00799 28 4XY -0.03410 -0.02107 -0.21682 -0.02319 -0.11792 29 4XZ -0.01701 -0.00120 -0.15223 -0.01284 0.13623 30 4YZ -0.13593 -0.00438 0.00223 -0.03483 0.18356 31 3 C 1S 0.00000 0.01563 -0.03391 0.00000 -0.01131 32 2S -0.00003 0.25377 -0.49518 0.00003 -0.05521 33 2PX -0.00001 -0.02391 -0.06423 0.00000 -0.05198 34 2PY 0.04437 -0.00001 -0.00001 0.01418 -0.00001 35 2PZ 0.00000 0.03628 0.02640 0.00001 -0.00651 36 3S 0.00008 -1.19863 1.45544 -0.00012 0.12100 37 3PX 0.00001 -0.39450 0.40031 -0.00001 -0.05697 38 3PY 0.05364 -0.00001 0.00003 0.01807 0.00002 39 3PZ -0.00004 -0.03139 -0.66733 0.00001 -0.36311 40 4XX 0.00002 0.01836 0.27106 -0.00001 0.31726 41 4YY 0.00000 -0.10147 -0.13625 0.00002 -0.36027 42 4ZZ -0.00001 0.06963 -0.12647 -0.00002 0.06402 43 4XY -0.02589 0.00000 0.00001 -0.00477 0.00001 44 4XZ 0.00000 0.03442 -0.14771 -0.00001 0.01329 45 4YZ -0.01358 -0.00001 -0.00001 -0.03401 -0.00004 46 4 O 1S -0.01115 -0.02495 0.02559 -0.00807 -0.00433 47 2S -0.20873 -0.36550 0.30801 -0.10253 -0.00558 48 2PX -0.00673 -0.02730 -0.04499 0.00523 -0.02903 49 2PY 0.02173 -0.02701 -0.05006 0.00543 0.03785 50 2PZ 0.01761 -0.01431 -0.04657 0.00651 -0.04519 51 3S 0.73812 1.22289 -1.17013 0.46640 0.14095 52 3PX 0.06995 0.01707 -0.01340 0.09006 0.00336 53 3PY 0.01179 0.38226 -0.16737 0.03772 0.01390 54 3PZ -0.10650 0.05586 0.26236 -0.08066 0.13624 55 4XX -0.02140 -0.07615 0.07609 -0.00467 -0.12406 56 4YY -0.09761 -0.13759 0.23721 -0.04824 -0.00359 57 4ZZ -0.01855 -0.03024 -0.11709 -0.01205 0.13911 58 4XY -0.04180 0.04064 0.16066 0.00212 0.08486 59 4XZ 0.01873 0.11769 -0.15190 0.01496 0.07321 60 4YZ 0.04700 0.02182 0.05538 0.01832 0.08316 61 5 H 1S -0.25697 -0.02471 -0.12282 -0.04781 0.19739 62 2S -0.50223 -0.15870 -0.11327 -0.14896 -0.00223 63 6 H 1S 0.25694 -0.02470 -0.12289 0.04779 0.19739 64 2S 0.50232 -0.15872 -0.11345 0.14893 -0.00222 65 7 H 1S -0.00002 0.03155 -0.22487 0.00003 -0.27375 66 2S -0.00002 0.02039 -0.23171 0.00000 -0.05997 67 8 O 1S 0.01115 -0.02495 0.02559 0.00807 -0.00433 68 2S 0.20876 -0.36551 0.30793 0.10249 -0.00556 69 2PX 0.00672 -0.02729 -0.04500 -0.00523 -0.02904 70 2PY 0.02174 0.02702 0.05007 0.00546 -0.03784 71 2PZ -0.01762 -0.01430 -0.04655 -0.00650 -0.04520 72 3S -0.73825 1.22296 -1.16982 -0.46636 0.14083 73 3PX -0.06992 0.01707 -0.01337 -0.09010 0.00333 74 3PY 0.01181 -0.38229 0.16731 0.03766 -0.01392 75 3PZ 0.10654 0.05582 0.26233 0.08069 0.13627 76 4XX 0.02142 -0.07616 0.07607 0.00471 -0.12404 77 4YY 0.09762 -0.13759 0.23718 0.04823 -0.00357 78 4ZZ 0.01854 -0.03023 -0.11709 0.01199 0.13910 79 4XY -0.04182 -0.04064 -0.16064 0.00212 -0.08486 80 4XZ -0.01876 0.11768 -0.15191 -0.01498 0.07319 81 4YZ 0.04697 -0.02181 -0.05534 0.01832 -0.08317 82 9 H 1S 0.00001 0.08491 0.03391 0.00002 0.02101 83 2S 0.00000 0.15237 0.08414 0.00001 0.12542 84 10 C 1S 0.01711 -0.00411 0.00506 0.01770 0.01322 85 2S 0.11566 -0.13939 0.03845 0.01736 0.13362 86 2PX 0.01687 0.00716 -0.06274 -0.04297 0.03973 87 2PY 0.02512 0.09386 -0.10515 0.10322 -0.00096 88 2PZ 0.05634 0.04239 0.09044 0.05778 -0.08587 89 3S -1.47939 0.04896 -0.30037 -1.31317 -0.41079 90 3PX -0.20212 -0.11739 -0.17584 -0.30596 0.02975 91 3PY -0.12638 -0.01387 0.40563 0.53376 -0.15329 92 3PZ 0.93714 0.13437 0.47322 0.65216 0.07535 93 4XX -0.06266 -0.10232 0.04179 0.07336 0.26305 94 4YY -0.01058 0.14243 -0.04188 -0.13174 -0.03439 95 4ZZ 0.05555 -0.03608 0.03460 0.02417 -0.16867 96 4XY -0.04595 -0.02460 -0.16095 0.02949 0.04684 97 4XZ 0.01729 -0.00695 -0.18058 -0.11441 0.19665 98 4YZ 0.00319 0.15732 0.05026 0.03160 -0.03456 99 11 C 1S -0.02759 -0.00160 -0.00856 -0.00400 0.00633 100 2S -0.50684 -0.31135 -0.28795 0.12702 0.07786 101 2PX -0.02867 -0.12855 0.01925 -0.03717 0.05607 102 2PY 0.13563 0.10979 0.10717 -0.05720 -0.05504 103 2PZ 0.13708 0.19056 0.03786 -0.05340 0.03729 104 3S 0.90725 0.57698 0.84764 0.51226 -0.12367 105 3PX -0.59706 0.21080 0.13615 0.30381 -0.29123 106 3PY -0.60178 -0.49984 -1.03599 -0.60052 -0.09784 107 3PZ 0.75386 -0.27259 0.06183 0.55112 0.11937 108 4XX -0.08689 -0.01748 0.03352 0.31111 0.15402 109 4YY -0.02218 0.01361 0.03358 -0.12834 -0.11025 110 4ZZ 0.06477 0.02218 -0.02836 -0.18715 0.02739 111 4XY 0.10258 -0.19851 -0.01982 -0.11429 0.17316 112 4XZ -0.03295 -0.10317 0.05330 0.12168 0.16795 113 4YZ -0.05004 0.17130 -0.10769 -0.39391 0.14877 114 12 C 1S -0.11687 0.00448 0.00951 -0.01410 -0.01521 115 2S -1.49985 0.23605 0.15309 0.09647 -0.08460 116 2PX 0.18786 0.05690 -0.02582 0.01530 0.03131 117 2PY -0.04725 -0.24756 -0.02930 -0.01918 -0.01983 118 2PZ -0.03908 -0.05331 0.02553 0.13114 0.00300 119 3S 4.81181 -0.54566 -0.55366 -0.18679 0.43846 120 3PX -0.56799 0.09777 0.19424 -0.70981 0.01538 121 3PY -0.93652 0.26701 0.12945 0.18635 0.18137 122 3PZ 0.05081 -0.07226 -0.26667 -1.21688 0.09463 123 4XX 0.06489 0.10238 -0.01107 -0.15454 0.13309 124 4YY 0.02961 -0.29921 0.10361 0.04361 -0.12682 125 4ZZ -0.14969 0.17272 -0.09489 0.09052 0.02248 126 4XY -0.12607 -0.23919 -0.20375 0.07294 0.09519 127 4XZ 0.12834 -0.01822 0.20955 0.25922 0.14071 128 4YZ 0.01826 0.27380 0.09726 0.24782 0.00531 129 13 C 1S 0.11687 0.00449 0.00950 0.01411 -0.01522 130 2S 1.49980 0.23622 0.15289 -0.09639 -0.08476 131 2PX -0.18784 0.05688 -0.02576 -0.01529 0.03131 132 2PY -0.04732 0.24756 0.02930 -0.01916 0.01984 133 2PZ 0.03910 -0.05325 0.02555 -0.13113 0.00293 134 3S -4.81169 -0.54636 -0.55318 0.18634 0.43890 135 3PX 0.56797 0.09771 0.19398 0.70977 0.01569 136 3PY -0.93638 -0.26711 -0.12929 0.18638 -0.18123 137 3PZ -0.05088 -0.07258 -0.26700 1.21687 0.09525 138 4XX -0.06481 0.10226 -0.01117 0.15449 0.13314 139 4YY -0.02957 -0.29912 0.10366 -0.04354 -0.12685 140 4ZZ 0.14959 0.17275 -0.09485 -0.09056 0.02246 141 4XY -0.12609 0.23918 0.20369 0.07313 -0.09512 142 4XZ -0.12836 -0.01816 0.20964 -0.25920 0.14060 143 4YZ 0.01822 -0.27389 -0.09726 0.24762 -0.00523 144 14 C 1S 0.02758 -0.00160 -0.00857 0.00400 0.00633 145 2S 0.50683 -0.31137 -0.28806 -0.12723 0.07780 146 2PX 0.02871 -0.12855 0.01923 0.03713 0.05607 147 2PY 0.13569 -0.10983 -0.10720 -0.05727 0.05501 148 2PZ -0.13704 0.19053 0.03788 0.05339 0.03734 149 3S -0.90726 0.57752 0.84815 -0.51192 -0.12387 150 3PX 0.59695 0.21091 0.13612 -0.30356 -0.29141 151 3PY -0.60191 0.50013 1.03637 -0.60028 0.09761 152 3PZ -0.75393 -0.27245 0.06217 -0.55139 0.11918 153 4XX 0.08686 -0.01744 0.03355 -0.31119 0.15389 154 4YY 0.02222 0.01370 0.03355 0.12847 -0.11018 155 4ZZ -0.06476 0.02206 -0.02837 0.18708 0.02745 156 4XY 0.10254 0.19860 0.01986 -0.11422 -0.17321 157 4XZ 0.03301 -0.10308 0.05334 -0.12186 0.16786 158 4YZ -0.05003 -0.17122 0.10779 -0.39386 -0.14894 159 15 C 1S -0.01711 -0.00411 0.00507 -0.01771 0.01322 160 2S -0.11571 -0.13924 0.03852 -0.01754 0.13368 161 2PX -0.01690 0.00716 -0.06275 0.04295 0.03975 162 2PY 0.02512 -0.09389 0.10511 0.10323 0.00104 163 2PZ -0.05631 0.04234 0.09046 -0.05767 -0.08590 164 3S 1.47939 0.04819 -0.30115 1.31344 -0.41050 165 3PX 0.20221 -0.11756 -0.17600 0.30587 0.02982 166 3PY -0.12605 0.01352 -0.40597 0.53376 0.15337 167 3PZ -0.93731 0.13481 0.47365 -0.65209 0.07526 168 4XX 0.06271 -0.10234 0.04180 -0.07357 0.26300 169 4YY 0.01053 0.14246 -0.04188 0.13180 -0.03435 170 4ZZ -0.05554 -0.03611 0.03458 -0.02406 -0.16866 171 4XY -0.04593 0.02457 0.16099 0.02947 -0.04684 172 4XZ -0.01730 -0.00697 -0.18059 0.11425 0.19667 173 4YZ 0.00319 -0.15730 -0.05029 0.03162 0.03462 174 16 H 1S -0.04269 -0.12965 -0.27900 -0.15686 0.20252 175 2S -0.15345 -0.03020 -0.18359 -0.22011 0.02942 176 17 H 1S 0.07129 0.01547 0.13120 0.16107 0.12827 177 2S 0.11387 0.14246 0.29884 0.17099 0.05976 178 18 H 1S -0.40395 0.03243 0.01269 -0.32226 -0.07180 179 2S -0.36244 0.01722 -0.01059 -0.39735 -0.00914 180 19 H 1S 0.40397 0.03241 0.01257 0.32237 -0.07167 181 2S 0.36242 0.01717 -0.01077 0.39736 -0.00895 182 20 H 1S -0.07135 0.01545 0.13123 -0.16108 0.12822 183 2S -0.11400 0.14250 0.29895 -0.17098 0.05970 184 21 H 1S 0.04273 -0.12972 -0.27907 0.15672 0.20256 185 2S 0.15355 -0.03034 -0.18374 0.22006 0.02945 186 22 H 1S -0.40032 0.02248 0.03412 0.16978 -0.21888 187 2S -0.15291 0.02422 0.01203 0.34450 -0.01569 188 23 H 1S 0.40032 0.02256 0.03411 -0.16966 -0.21898 189 2S 0.15298 0.02433 0.01216 -0.34449 -0.01588 136 137 138 139 140 V V V V V Eigenvalues -- 1.89382 1.89864 1.94417 1.96128 1.96313 1 1 C 1S 0.00195 0.00905 -0.00041 -0.01891 -0.00039 2 2S 0.06793 -0.02306 0.08883 -0.27979 0.05702 3 2PX 0.02191 -0.09239 0.06300 -0.10905 0.04384 4 2PY 0.21514 0.01381 -0.01756 0.00034 0.14007 5 2PZ 0.00035 0.11521 -0.06969 -0.02112 0.00736 6 3S 0.34031 0.08601 -0.25479 0.78345 0.00419 7 3PX 0.11921 0.01323 0.01097 0.28537 -0.02404 8 3PY 0.57919 -0.03074 -0.00627 -0.25606 -0.18673 9 3PZ 0.38887 0.08134 -0.28900 0.08705 0.06550 10 4XX 0.01529 0.02771 -0.10355 0.01000 0.03501 11 4YY 0.05896 0.03363 0.07668 0.02821 -0.23773 12 4ZZ -0.08204 -0.03760 -0.01131 0.00509 0.24222 13 4XY 0.24181 0.14020 -0.06229 -0.11364 0.13565 14 4XZ 0.11532 0.08098 -0.17373 0.03557 -0.04641 15 4YZ -0.10729 -0.32050 0.29397 -0.03452 -0.11956 16 2 C 1S -0.00194 0.00905 -0.00042 0.01891 -0.00034 17 2S -0.06787 -0.02311 0.08868 0.27970 0.05763 18 2PX -0.02198 -0.09241 0.06293 0.10898 0.04410 19 2PY 0.21512 -0.01394 0.01761 0.00066 -0.14006 20 2PZ -0.00026 0.11520 -0.06968 0.02109 0.00739 21 3S -0.34034 0.08643 -0.25451 -0.78361 0.00246 22 3PX -0.11920 0.01336 0.01132 -0.28539 -0.02467 23 3PY 0.57925 0.03037 0.00650 -0.25650 0.18617 24 3PZ -0.38877 0.08148 -0.28922 -0.08726 0.06531 25 4XX -0.01528 0.02773 -0.10354 -0.01009 0.03500 26 4YY -0.05894 0.03360 0.07672 -0.02765 -0.23783 27 4ZZ 0.08203 -0.03758 -0.01134 -0.00565 0.24223 28 4XY 0.24175 -0.14029 0.06238 -0.11335 -0.13589 29 4XZ -0.11520 0.08104 -0.17370 -0.03555 -0.04654 30 4YZ -0.10710 0.32059 -0.29396 -0.03480 0.11943 31 3 C 1S 0.00000 -0.00267 0.01001 0.00002 -0.01279 32 2S -0.00002 0.03849 0.06313 0.00007 -0.03927 33 2PX 0.00000 -0.02463 -0.01166 -0.00008 0.06462 34 2PY 0.09360 -0.00003 -0.00001 0.08853 0.00011 35 2PZ 0.00001 0.01391 0.01096 -0.00009 0.09069 36 3S 0.00010 -0.16660 -0.44818 -0.00056 0.36496 37 3PX 0.00006 0.06096 -0.28239 -0.00046 0.37989 38 3PY 0.20596 -0.00005 0.00003 -0.06793 -0.00013 39 3PZ -0.00002 -0.11075 -0.10866 -0.00100 0.89921 40 4XX 0.00008 0.25384 -0.15194 0.00020 -0.17974 41 4YY -0.00009 -0.26754 0.14210 0.00010 -0.08457 42 4ZZ 0.00001 0.01547 -0.00106 -0.00033 0.29429 43 4XY 0.06662 0.00001 0.00002 -0.18831 -0.00022 44 4XZ -0.00003 -0.10396 0.10415 0.00032 -0.29797 45 4YZ -0.03555 0.00000 0.00000 0.06414 0.00006 46 4 O 1S -0.01318 0.00777 -0.01629 0.01391 0.01131 47 2S 0.01160 0.00656 -0.19179 -0.01402 -0.00651 48 2PX 0.03044 -0.01868 -0.01151 0.07724 -0.05607 49 2PY 0.18863 -0.00394 -0.01984 -0.12008 -0.02896 50 2PZ 0.06694 0.03445 -0.05043 -0.06769 0.19143 51 3S 0.17801 -0.12056 0.70893 -0.23220 -0.20621 52 3PX -0.12958 -0.18146 0.17122 -0.19965 -0.04809 53 3PY -0.25003 0.00810 0.20196 0.15544 -0.02101 54 3PZ -0.13388 0.05665 0.06266 0.13241 -0.42170 55 4XX 0.14416 -0.04584 -0.00560 -0.04870 0.08444 56 4YY -0.43052 0.00345 -0.05034 0.20198 -0.01622 57 4ZZ 0.21879 0.07871 -0.07600 -0.09315 -0.04067 58 4XY -0.32678 0.04791 0.00947 0.02968 -0.05392 59 4XZ -0.18696 0.00881 0.01108 0.04231 0.07507 60 4YZ 0.00783 -0.00912 0.06374 0.00144 -0.37979 61 5 H 1S 0.30646 0.28864 -0.29181 -0.17531 0.05279 62 2S 0.18563 -0.11168 0.03186 -0.08577 -0.04359 63 6 H 1S -0.30627 0.28877 -0.29196 0.17519 0.05317 64 2S -0.18569 -0.11162 0.03171 0.08590 -0.04341 65 7 H 1S -0.00003 -0.06172 0.01098 -0.00040 0.37906 66 2S 0.00001 0.03688 -0.07690 -0.00022 0.20251 67 8 O 1S 0.01319 0.00776 -0.01628 -0.01394 0.01127 68 2S -0.01153 0.00657 -0.19183 0.01392 -0.00648 69 2PX -0.03046 -0.01865 -0.01148 -0.07713 -0.05626 70 2PY 0.18863 0.00385 0.01992 -0.12013 0.02866 71 2PZ -0.06690 0.03448 -0.05046 0.06726 0.19160 72 3S -0.17824 -0.12047 0.70902 0.23293 -0.20566 73 3PX 0.12951 -0.18154 0.17120 0.19978 -0.04763 74 3PY -0.24998 -0.00798 -0.20208 0.15533 0.02140 75 3PZ 0.13386 0.05659 0.06266 -0.13144 -0.42201 76 4XX -0.14415 -0.04575 -0.00567 0.04852 0.08455 77 4YY 0.43052 0.00324 -0.05020 -0.20198 -0.01674 78 4ZZ -0.21874 0.07880 -0.07606 0.09321 -0.04039 79 4XY -0.32685 -0.04776 -0.00954 0.02957 0.05396 80 4XZ 0.18696 0.00872 0.01113 -0.04248 0.07497 81 4YZ 0.00793 0.00910 -0.06373 0.00055 0.37981 82 9 H 1S -0.00003 -0.00869 0.10209 0.00063 -0.54677 83 2S 0.00001 0.08904 0.07114 0.00029 -0.25228 84 10 C 1S -0.00166 -0.00993 0.00565 -0.00069 -0.00325 85 2S 0.05067 -0.28351 -0.13730 -0.03646 -0.01378 86 2PX 0.01321 0.01650 0.02076 0.00796 -0.03713 87 2PY 0.06279 0.08967 0.09761 0.19494 0.05789 88 2PZ -0.03490 0.03367 -0.00281 -0.02767 0.00989 89 3S -0.19888 0.52820 0.04013 0.05958 0.21605 90 3PX -0.09103 0.09360 -0.01449 -0.20092 0.02459 91 3PY -0.13263 -0.10899 -0.09060 -0.47228 -0.01680 92 3PZ 0.14781 -0.28828 0.10564 0.43193 -0.00094 93 4XX -0.04532 -0.21393 0.06219 -0.09619 -0.03123 94 4YY 0.00527 0.18717 0.21741 -0.04624 0.08737 95 4ZZ 0.05696 -0.05049 -0.26792 0.16841 -0.06740 96 4XY -0.04517 0.09932 0.00856 -0.04591 -0.10083 97 4XZ 0.04292 -0.11135 0.00054 -0.01517 -0.01829 98 4YZ 0.05730 -0.08710 0.07448 0.17581 0.18028 99 11 C 1S -0.00689 0.00069 -0.00366 -0.03408 0.00094 100 2S -0.12271 -0.05059 -0.03575 -0.51774 0.26517 101 2PX -0.02200 -0.00841 0.01680 0.02760 0.01687 102 2PY 0.07393 -0.02283 -0.07923 0.13172 -0.09199 103 2PZ -0.01194 -0.03460 0.09699 0.04056 0.05923 104 3S 0.37286 -0.19427 0.29522 1.65366 -0.42308 105 3PX 0.07928 0.02834 -0.11696 -0.03649 -0.05239 106 3PY -0.10649 0.38725 -0.24231 0.20713 0.16749 107 3PZ 0.15728 -0.23020 -0.29338 -0.07679 -0.09675 108 4XX 0.01871 -0.15286 0.04384 -0.08340 -0.01384 109 4YY 0.14062 -0.01457 -0.08332 0.40741 0.04863 110 4ZZ -0.14436 0.12024 0.10784 -0.26811 -0.00781 111 4XY -0.05836 -0.00323 0.18590 -0.09340 0.06537 112 4XZ -0.02700 -0.17929 0.06289 0.07085 0.10275 113 4YZ 0.01870 0.02812 0.23078 -0.09972 0.08670 114 12 C 1S 0.00282 0.02387 0.02060 -0.00049 -0.00896 115 2S -0.04903 -0.16069 -0.09695 0.02450 -0.04211 116 2PX 0.04458 0.03746 0.00141 0.02436 0.00020 117 2PY 0.02903 0.10550 0.08806 0.11233 0.03870 118 2PZ -0.01590 0.00916 0.00751 0.02547 0.02974 119 3S -0.04126 -0.15530 -0.25154 -0.14493 0.21389 120 3PX -0.31801 -0.04809 0.27365 -0.24391 0.00480 121 3PY -0.04639 -0.28948 -0.12852 -0.58863 -0.00674 122 3PZ -0.16321 0.12698 0.10531 -0.25048 0.03795 123 4XX -0.01820 -0.18397 -0.13972 -0.01141 0.01530 124 4YY -0.02108 0.29139 0.29810 -0.02038 0.00656 125 4ZZ 0.04928 -0.09708 -0.13184 0.05057 -0.02358 126 4XY 0.13276 0.06354 0.10148 0.23516 0.08985 127 4XZ -0.07607 -0.17954 0.04133 -0.11262 0.11836 128 4YZ -0.00144 0.14288 0.21571 -0.17686 -0.00963 129 13 C 1S -0.00281 0.02387 0.02059 0.00051 -0.00895 130 2S 0.04898 -0.16066 -0.09715 -0.02448 -0.04218 131 2PX -0.04456 0.03750 0.00146 -0.02434 0.00017 132 2PY 0.02899 -0.10552 -0.08807 0.11239 -0.03845 133 2PZ 0.01590 0.00920 0.00751 -0.02553 0.02965 134 3S 0.04120 -0.15536 -0.25089 0.14432 0.21411 135 3PX 0.31791 -0.04859 0.27337 0.24392 0.00536 136 3PY -0.04626 0.28948 0.12881 -0.58857 0.00545 137 3PZ 0.16325 0.12647 0.10532 0.25035 0.03857 138 4XX 0.01809 -0.18398 -0.13971 0.01124 0.01533 139 4YY 0.02119 0.29140 0.29813 0.02054 0.00658 140 4ZZ -0.04928 -0.09707 -0.13188 -0.05055 -0.02366 141 4XY 0.13277 -0.06370 -0.10155 0.23540 -0.08936 142 4XZ 0.07601 -0.17952 0.04132 0.11240 0.11855 143 4YZ -0.00147 -0.14289 -0.21564 -0.17693 0.00926 144 14 C 1S 0.00689 0.00068 -0.00367 0.03408 0.00102 145 2S 0.12266 -0.05064 -0.03593 0.51708 0.26627 146 2PX 0.02198 -0.00843 0.01680 -0.02766 0.01679 147 2PY 0.07393 0.02282 0.07918 0.13154 0.09226 148 2PZ 0.01193 -0.03463 0.09704 -0.04061 0.05918 149 3S -0.37293 -0.19391 0.29555 -1.65260 -0.42659 150 3PX -0.07925 0.02849 -0.11710 0.03657 -0.05226 151 3PY -0.10670 -0.38716 0.24227 0.20758 -0.16696 152 3PZ -0.15738 -0.23004 -0.29331 0.07683 -0.09668 153 4XX -0.01877 -0.15273 0.04384 0.08350 -0.01366 154 4YY -0.14064 -0.01449 -0.08323 -0.40755 0.04776 155 4ZZ 0.14440 0.12005 0.10774 0.26812 -0.00724 156 4XY -0.05830 0.00333 -0.18588 -0.09320 -0.06558 157 4XZ 0.02687 -0.17926 0.06287 -0.07111 0.10256 158 4YZ 0.01867 -0.02804 -0.23079 -0.09972 -0.08694 159 15 C 1S 0.00165 -0.00993 0.00565 0.00070 -0.00325 160 2S -0.05080 -0.28351 -0.13729 0.03643 -0.01365 161 2PX -0.01320 0.01650 0.02076 -0.00788 -0.03714 162 2PY 0.06275 -0.08977 -0.09764 0.19502 -0.05745 163 2PZ 0.03494 0.03365 -0.00282 0.02768 0.00992 164 3S 0.19913 0.52799 0.04007 -0.05997 0.21579 165 3PX 0.09108 0.09351 -0.01445 0.20089 0.02496 166 3PY -0.13254 0.10914 0.09073 -0.47223 0.01568 167 3PZ -0.14798 -0.28812 0.10573 -0.43197 -0.00176 168 4XX 0.04521 -0.21393 0.06216 0.09625 -0.03103 169 4YY -0.00522 0.18710 0.21742 0.04611 0.08755 170 4ZZ -0.05692 -0.05041 -0.26791 -0.16832 -0.06783 171 4XY -0.04521 -0.09930 -0.00855 -0.04616 0.10074 172 4XZ -0.04300 -0.11137 0.00054 0.01517 -0.01822 173 4YZ 0.05735 0.08709 -0.07441 0.17623 -0.17985 174 16 H 1S -0.04347 0.07895 0.02856 -0.20778 -0.13310 175 2S 0.01306 0.02464 -0.03725 -0.00013 0.01461 176 17 H 1S -0.13165 -0.03203 0.14784 -0.55424 -0.00256 177 2S 0.04579 -0.15010 0.05678 -0.11559 -0.02109 178 18 H 1S -0.06495 0.23223 0.24542 -0.08350 -0.03542 179 2S -0.02734 0.02905 0.01325 0.05766 -0.00045 180 19 H 1S 0.06501 0.23206 0.24534 0.08364 -0.03520 181 2S 0.02734 0.02888 0.01321 -0.05766 -0.00056 182 20 H 1S 0.13161 -0.03212 0.14773 0.55430 -0.00134 183 2S -0.04588 -0.15009 0.05674 0.11565 -0.02083 184 21 H 1S 0.04350 0.07889 0.02855 0.20808 -0.13266 185 2S -0.01304 0.02464 -0.03722 0.00007 0.01456 186 22 H 1S 0.07072 0.14634 -0.02369 0.07560 -0.11029 187 2S 0.11786 0.00941 -0.08311 0.23748 0.00296 188 23 H 1S -0.07064 0.14645 -0.02370 -0.07530 -0.11045 189 2S -0.11782 0.00961 -0.08303 -0.23745 0.00243 141 142 143 144 145 V V V V V Eigenvalues -- 1.98887 2.01317 2.01546 2.02324 2.05926 1 1 C 1S 0.00013 -0.00263 0.00343 0.00580 0.00038 2 2S -0.11752 0.10976 -0.20790 0.31595 0.13575 3 2PX 0.05786 -0.21836 0.00425 -0.01587 0.01606 4 2PY -0.07310 -0.00677 -0.01018 0.11366 0.21798 5 2PZ -0.01380 0.05429 -0.08232 0.00511 -0.01432 6 3S -0.26999 0.47814 0.86042 -0.16328 0.05203 7 3PX 0.32172 0.42566 -0.55247 0.05343 -0.10773 8 3PY -0.12666 -0.40115 0.39864 -0.35858 -0.23057 9 3PZ -0.56345 -0.14343 0.93274 -0.26869 0.14210 10 4XX 0.09353 -0.12274 0.06494 -0.10436 0.35827 11 4YY -0.08767 0.03061 -0.03726 -0.12142 -0.43304 12 4ZZ -0.06307 0.13796 0.03977 0.21582 0.13673 13 4XY -0.06780 -0.09591 0.02823 -0.01437 0.02738 14 4XZ -0.14712 0.36576 0.15860 -0.07713 -0.04075 15 4YZ 0.03976 0.18807 0.08437 0.15004 -0.06894 16 2 C 1S -0.00013 -0.00262 -0.00344 0.00581 0.00037 17 2S 0.11762 0.10919 0.20833 0.31585 0.13555 18 2PX -0.05792 -0.21833 -0.00480 -0.01586 0.01607 19 2PY -0.07314 0.00680 -0.01025 -0.11365 -0.21798 20 2PZ 0.01381 0.05408 0.08245 0.00505 -0.01437 21 3S 0.27009 0.48032 -0.85920 -0.16298 0.05287 22 3PX -0.32164 0.42434 0.55357 0.05314 -0.10785 23 3PY -0.12655 0.40010 0.40004 0.35840 0.23029 24 3PZ 0.56340 -0.14108 -0.93321 -0.26813 0.14245 25 4XX -0.09355 -0.12254 -0.06531 -0.10431 0.35832 26 4YY 0.08760 0.03052 0.03724 -0.12144 -0.43306 27 4ZZ 0.06318 0.13801 -0.03927 0.21583 0.13672 28 4XY -0.06782 0.09581 0.02851 0.01434 -0.02731 29 4XZ 0.14719 0.36615 -0.15776 -0.07699 -0.04075 30 4YZ 0.03971 -0.18829 0.08380 -0.15016 0.06889 31 3 C 1S -0.00001 -0.03844 -0.00006 -0.03337 -0.02133 32 2S -0.00004 -0.27273 -0.00039 -0.17222 0.06534 33 2PX 0.00004 0.05851 0.00010 0.05631 0.11811 34 2PY -0.28700 0.00027 -0.18106 0.00008 0.00003 35 2PZ -0.00001 0.04164 0.00005 0.00955 -0.13652 36 3S 0.00034 1.26524 0.00194 1.06603 0.80284 37 3PX 0.00003 0.21514 0.00032 0.16368 -0.28772 38 3PY 0.17169 -0.00011 0.08602 -0.00006 0.00001 39 3PZ -0.00003 -0.43159 -0.00042 0.27426 -0.56984 40 4XX -0.00001 0.11759 0.00009 -0.10942 0.06190 41 4YY -0.00003 -0.22038 -0.00032 -0.20043 0.03688 42 4ZZ 0.00003 0.10187 0.00025 0.36447 -0.07729 43 4XY 0.59533 -0.00049 0.32214 -0.00016 -0.00004 44 4XZ 0.00005 -0.01922 0.00002 0.07403 0.43829 45 4YZ -0.23791 0.00022 -0.14659 0.00003 0.00006 46 4 O 1S -0.02357 -0.00459 0.00009 -0.00235 0.02093 47 2S 0.04087 0.48979 0.33252 0.22932 0.15449 48 2PX -0.22158 0.13715 -0.07811 -0.06080 -0.18404 49 2PY 0.16823 0.09214 0.17445 0.04733 0.01814 50 2PZ 0.10051 -0.13857 -0.00955 0.03962 0.00366 51 3S 0.44196 -0.92093 -0.90228 -0.41868 -0.64815 52 3PX 0.39428 -0.09946 -0.04971 0.16848 0.32948 53 3PY -0.06760 -0.19150 -0.30021 -0.08259 -0.22352 54 3PZ -0.17563 0.18670 0.09287 -0.13894 0.14590 55 4XX -0.02038 0.00880 0.06580 0.02139 -0.03532 56 4YY -0.08977 0.17738 -0.00812 0.08598 0.05411 57 4ZZ 0.07286 -0.00103 0.09458 -0.03894 0.08673 58 4XY 0.25574 0.04641 0.05305 0.07985 0.16892 59 4XZ 0.08364 0.17486 0.04019 0.09860 -0.10850 60 4YZ -0.06874 -0.01635 -0.04345 -0.16708 0.14124 61 5 H 1S -0.15500 -0.26003 0.15161 -0.24626 0.08953 62 2S -0.16014 -0.21260 0.30004 -0.08138 -0.01845 63 6 H 1S 0.15491 -0.25965 -0.15244 -0.24615 0.08955 64 2S 0.16009 -0.21184 -0.30065 -0.08121 -0.01839 65 7 H 1S -0.00006 -0.22446 -0.00032 -0.12347 -0.51858 66 2S -0.00004 -0.19378 -0.00023 0.00295 -0.20156 67 8 O 1S 0.02357 -0.00460 -0.00010 -0.00235 0.02093 68 2S -0.04065 0.49067 -0.33112 0.22955 0.15461 69 2PX 0.22158 0.13689 0.07840 -0.06087 -0.18404 70 2PY 0.16821 -0.09263 0.17419 -0.04750 -0.01818 71 2PZ -0.10051 -0.13856 0.00926 0.03963 0.00367 72 3S -0.44246 -0.92314 0.89964 -0.41916 -0.64854 73 3PX -0.39425 -0.09950 0.04956 0.16852 0.32938 74 3PY -0.06750 0.19230 -0.29967 0.08284 0.22360 75 3PZ 0.17565 0.18688 -0.09254 -0.13891 0.14593 76 4XX 0.02038 0.00897 -0.06577 0.02144 -0.03529 77 4YY 0.08986 0.17731 0.00863 0.08591 0.05415 78 4ZZ -0.07286 -0.00074 -0.09462 -0.03882 0.08671 79 4XY 0.25570 -0.04663 0.05289 -0.07992 -0.16892 80 4XZ -0.08355 0.17497 -0.03969 0.09863 -0.10853 81 4YZ -0.06869 0.01652 -0.04327 0.16713 -0.14120 82 9 H 1S -0.00007 -0.14068 -0.00034 -0.42745 0.21730 83 2S -0.00001 0.04196 0.00000 -0.14284 0.01804 84 10 C 1S 0.00521 -0.00912 -0.01021 0.01048 0.00451 85 2S 0.16805 -0.05550 -0.45321 0.05756 0.13643 86 2PX 0.02964 0.00732 -0.03147 0.05745 0.02364 87 2PY 0.01965 0.04941 0.08756 -0.13762 -0.01502 88 2PZ -0.06788 0.00308 0.12948 -0.01378 -0.02530 89 3S -0.57492 0.51012 1.61079 -0.50046 0.02094 90 3PX -0.16716 -0.06264 0.23824 -0.05972 -0.04217 91 3PY 0.11725 0.02402 -0.72151 0.12804 0.02152 92 3PZ 0.43397 -0.10575 -0.72385 0.11172 0.06467 93 4XX -0.01749 -0.04515 -0.01136 0.14843 0.13746 94 4YY 0.03050 0.03415 -0.09961 -0.15860 -0.07025 95 4ZZ 0.00098 0.00270 0.12519 0.04445 -0.03682 96 4XY -0.07739 -0.07143 0.07092 0.17774 -0.00420 97 4XZ 0.00843 -0.01098 -0.02997 0.10601 -0.00938 98 4YZ 0.00849 0.22069 0.09739 -0.31571 0.15628 99 11 C 1S -0.00059 0.01474 -0.00633 0.00006 0.00460 100 2S -0.18425 0.45837 0.19351 -0.51479 0.22289 101 2PX -0.04825 -0.06386 0.13141 0.00113 -0.08242 102 2PY 0.06251 -0.08350 -0.04446 0.17158 -0.04166 103 2PZ 0.07035 0.05244 -0.12466 -0.05507 0.09131 104 3S 0.44557 -1.01921 -0.65557 0.77531 -0.39481 105 3PX 0.18198 0.21376 -0.51773 0.00050 0.05747 106 3PY -0.10502 0.38839 0.61787 -0.63658 0.20547 107 3PZ 0.04633 0.00677 0.13105 0.17948 -0.02598 108 4XX 0.04968 0.01201 -0.16391 0.04152 -0.02360 109 4YY 0.07471 0.08614 0.13793 -0.07811 0.10054 110 4ZZ -0.09549 -0.10928 0.00838 0.04603 -0.08266 111 4XY -0.17711 -0.05914 0.26637 0.04092 0.03979 112 4XZ -0.08101 -0.05928 0.16270 -0.13513 -0.05217 113 4YZ 0.01992 0.03178 -0.12952 -0.06069 0.09205 114 12 C 1S -0.00109 0.00142 -0.01904 0.01319 -0.00752 115 2S -0.28246 -0.11402 0.29316 -0.03650 -0.18247 116 2PX 0.10854 -0.05565 -0.18738 0.06104 0.01913 117 2PY 0.01492 0.06360 0.02677 -0.03850 0.05955 118 2PZ -0.04212 -0.01776 0.10357 -0.02971 -0.00698 119 3S 0.41143 0.30522 0.33054 -0.27615 0.28752 120 3PX -0.47174 -0.10187 0.56341 0.00269 -0.15065 121 3PY -0.23151 -0.07735 -0.01842 0.06379 -0.08677 122 3PZ -0.19392 0.08507 0.35638 -0.03675 0.13936 123 4XX 0.00103 -0.11605 0.02632 0.07242 0.02103 124 4YY -0.04596 0.12606 0.08950 0.02601 0.04525 125 4ZZ 0.07367 -0.01271 -0.14672 -0.06928 -0.07488 126 4XY 0.10745 -0.04971 -0.12039 -0.09311 -0.00908 127 4XZ -0.13504 -0.10833 0.22172 -0.12204 -0.09123 128 4YZ 0.04300 -0.10010 -0.22052 0.13418 0.02454 129 13 C 1S 0.00109 0.00138 0.01905 0.01317 -0.00751 130 2S 0.28242 -0.11336 -0.29351 -0.03636 -0.18245 131 2PX -0.10855 -0.05607 0.18729 0.06090 0.01916 132 2PY 0.01489 -0.06368 0.02666 0.03849 -0.05955 133 2PZ 0.04212 -0.01755 -0.10363 -0.02961 -0.00700 134 3S -0.41131 0.30592 -0.32992 -0.27554 0.28715 135 3PX 0.47167 -0.10056 -0.56363 0.00299 -0.15057 136 3PY -0.23146 0.07740 -0.01828 -0.06369 0.08667 137 3PZ 0.19392 0.08596 -0.35613 -0.03652 0.13935 138 4XX -0.00111 -0.11597 -0.02648 0.07243 0.02105 139 4YY 0.04601 0.12625 -0.08915 0.02612 0.04525 140 4ZZ -0.07365 -0.01304 0.14654 -0.06942 -0.07489 141 4XY 0.10746 0.04994 -0.12019 0.09322 0.00907 142 4XZ 0.13506 -0.10787 -0.22217 -0.12184 -0.09122 143 4YZ 0.04305 0.10062 -0.22042 -0.13401 -0.02454 144 14 C 1S 0.00060 0.01473 0.00637 0.00006 0.00459 145 2S 0.18440 0.45878 -0.19277 -0.51457 0.22272 146 2PX 0.04823 -0.06356 -0.13157 0.00122 -0.08240 147 2PY 0.06256 0.08358 -0.04443 -0.17153 0.04163 148 2PZ -0.07031 0.05219 0.12473 -0.05520 0.09134 149 3S -0.44597 -1.02066 0.65362 0.77450 -0.39421 150 3PX -0.18192 0.21258 0.51821 0.00011 0.05743 151 3PY -0.10516 -0.38981 0.61737 0.63599 -0.20525 152 3PZ -0.04638 0.00692 -0.13073 0.17972 -0.02606 153 4XX -0.04966 0.01164 0.16395 0.04139 -0.02354 154 4YY -0.07471 0.08651 -0.13770 -0.07803 0.10053 155 4ZZ 0.09547 -0.10929 -0.00869 0.04606 -0.08269 156 4XY -0.17712 0.05853 0.26659 -0.04108 -0.03978 157 4XZ 0.08095 -0.05888 -0.16288 -0.13501 -0.05215 158 4YZ 0.01986 -0.03150 -0.12956 0.06078 -0.09207 159 15 C 1S -0.00521 -0.00914 0.01019 0.01047 0.00451 160 2S -0.16811 -0.05651 0.45321 0.05721 0.13653 161 2PX -0.02964 0.00726 0.03152 0.05742 0.02364 162 2PY 0.01961 -0.04962 0.08759 0.13756 0.01504 163 2PZ 0.06790 0.00334 -0.12950 -0.01366 -0.02533 164 3S 0.57517 0.51380 -1.61002 -0.49912 0.02051 165 3PX 0.16714 -0.06210 -0.23839 -0.05952 -0.04220 166 3PY 0.11734 -0.02237 -0.72181 -0.12752 -0.02158 167 3PZ -0.43403 -0.10738 0.72358 0.11109 0.06485 168 4XX 0.01747 -0.04517 0.01137 0.14844 0.13744 169 4YY -0.03047 0.03400 0.09950 -0.15879 -0.07018 170 4ZZ -0.00099 0.00291 -0.12509 0.04465 -0.03688 171 4XY -0.07737 0.07127 0.07095 -0.17781 0.00421 172 4XZ -0.00846 -0.01101 0.03005 0.10593 -0.00933 173 4YZ 0.00839 -0.22093 0.09716 0.31560 -0.15630 174 16 H 1S -0.04981 -0.17195 -0.03580 0.27126 -0.08789 175 2S -0.11066 -0.01421 0.22745 -0.09437 0.00322 176 17 H 1S -0.10070 -0.03004 -0.15746 0.11903 -0.04984 177 2S 0.03326 -0.01634 -0.14286 0.11903 -0.03537 178 18 H 1S -0.07767 -0.02732 0.01522 0.12871 0.04161 179 2S -0.10552 -0.02578 0.16143 -0.00538 0.01919 180 19 H 1S 0.07765 -0.02726 -0.01515 0.12867 0.04163 181 2S 0.10550 -0.02536 -0.16147 -0.00529 0.01920 182 20 H 1S 0.10070 -0.03044 0.15745 0.11891 -0.04983 183 2S -0.03327 -0.01667 0.14288 0.11893 -0.03536 184 21 H 1S 0.04974 -0.17204 0.03561 0.27123 -0.08786 185 2S 0.11066 -0.01370 -0.22755 -0.09418 0.00319 186 22 H 1S 0.07554 0.12400 -0.18203 0.04281 0.00664 187 2S 0.14407 -0.06759 -0.17566 0.03256 0.00145 188 23 H 1S -0.07550 0.12359 0.18237 0.04268 0.00665 189 2S -0.14406 -0.06800 0.17548 0.03243 0.00144 146 147 148 149 150 V V V V V Eigenvalues -- 2.07782 2.09881 2.11357 2.18123 2.18372 1 1 C 1S 0.00576 -0.02894 0.00776 0.02869 0.02948 2 2S 0.00897 -0.76548 -0.02353 0.46043 0.64118 3 2PX 0.09151 -0.11845 -0.03413 -0.15827 -0.04739 4 2PY -0.00975 0.02292 -0.03316 -0.03146 0.21268 5 2PZ -0.02819 -0.09460 -0.00280 0.19464 0.08624 6 3S -0.24885 2.89468 -0.16337 -1.89573 -0.67037 7 3PX -0.25283 -0.01970 0.13974 0.99584 0.25813 8 3PY 0.14646 0.70055 0.10255 -1.06068 -0.44821 9 3PZ 0.13807 1.03933 -0.05131 -1.16620 -0.54621 10 4XX 0.00951 0.16357 0.00841 -0.06239 0.16222 11 4YY 0.01773 0.00194 0.04620 0.00361 -0.24321 12 4ZZ -0.03180 -0.03688 -0.02885 0.09707 0.08479 13 4XY 0.06293 -0.14643 0.05345 0.18441 0.08425 14 4XZ -0.01771 0.17501 0.13932 0.41966 0.14932 15 4YZ -0.10726 -0.08399 0.01967 0.15725 0.10910 16 2 C 1S 0.00577 0.02893 0.00779 -0.02876 0.02942 17 2S 0.00921 0.76550 -0.02292 -0.46194 0.64014 18 2PX 0.09154 0.11843 -0.03403 0.15839 -0.04700 19 2PY 0.00975 0.02284 0.03317 -0.03092 -0.21276 20 2PZ -0.02816 0.09461 -0.00271 -0.19485 0.08576 21 3S -0.24981 -2.89427 -0.16550 1.89729 -0.66618 22 3PX -0.25284 0.01970 0.13976 -0.99643 0.25576 23 3PY -0.14615 0.70094 -0.10206 -1.06189 0.44582 24 3PZ 0.13773 -1.03926 -0.05207 1.16738 -0.54351 25 4XX 0.00945 -0.16350 0.00826 0.06196 0.16237 26 4YY 0.01772 -0.00206 0.04621 -0.00303 -0.24321 27 4ZZ -0.03178 0.03692 -0.02882 -0.09724 0.08453 28 4XY -0.06298 -0.14633 -0.05359 0.18464 -0.08385 29 4XZ -0.01779 -0.17512 0.13923 -0.41999 0.14825 30 4YZ 0.10723 -0.08402 -0.01975 0.15747 -0.10876 31 3 C 1S 0.01866 -0.00001 0.00407 0.00004 -0.03080 32 2S 0.03157 0.00007 -0.22078 0.00051 -0.43030 33 2PX -0.05180 0.00006 -0.08212 0.00000 0.00016 34 2PY -0.00002 -0.03415 -0.00001 -0.05470 -0.00007 35 2PZ 0.01729 -0.00003 0.03871 -0.00001 0.00804 36 3S -0.51425 0.00023 0.03353 -0.00131 1.07742 37 3PX 0.07716 -0.00021 0.42126 -0.00078 0.65770 38 3PY 0.00000 0.09436 0.00004 -0.02362 0.00002 39 3PZ 0.25700 -0.00016 0.06389 0.00054 -0.43047 40 4XX -0.00242 -0.00004 0.11633 -0.00045 0.36757 41 4YY 0.11649 -0.00009 0.18314 -0.00036 0.27662 42 4ZZ -0.11491 0.00013 -0.30150 0.00082 -0.64638 43 4XY 0.00002 -0.02021 0.00001 0.21556 0.00028 44 4XZ -0.14207 0.00019 -0.25579 0.00024 -0.20960 45 4YZ -0.00005 -0.23792 -0.00008 0.44911 0.00054 46 4 O 1S 0.00550 0.00816 0.00315 -0.02039 0.01567 47 2S -0.23106 0.33243 -0.12515 0.13950 -0.13005 48 2PX -0.02414 0.08179 0.09786 0.11831 0.04711 49 2PY -0.04983 0.03863 -0.07315 0.09856 -0.11764 50 2PZ 0.01673 0.01075 -0.01535 -0.13587 -0.04575 51 3S 0.32572 -1.10276 0.16881 0.60018 0.03687 52 3PX -0.00415 -0.45922 -0.08014 0.11436 0.23730 53 3PY 0.07790 -0.17829 0.05959 0.03150 0.03145 54 3PZ -0.03381 0.04656 -0.07424 0.14762 0.00009 55 4XX 0.09913 0.04727 0.09352 -0.18083 0.18939 56 4YY -0.07661 0.12086 -0.02461 0.04094 -0.01801 57 4ZZ -0.07083 -0.02963 -0.08819 0.13101 -0.15079 58 4XY -0.06346 -0.01707 -0.07983 0.13619 0.01755 59 4XZ 0.01971 -0.05394 0.03820 0.16278 0.15460 60 4YZ -0.03507 -0.11025 -0.03180 0.27255 -0.04291 61 5 H 1S 0.16208 0.01985 0.03470 -0.15628 -0.06321 62 2S 0.11915 0.14073 0.01714 -0.49053 -0.22463 63 6 H 1S 0.16205 -0.01996 0.03470 0.15639 -0.06283 64 2S 0.11909 -0.14084 0.01703 0.49109 -0.22347 65 7 H 1S 0.22769 -0.00022 0.24607 -0.00004 0.05394 66 2S 0.11559 -0.00009 0.09602 0.00008 -0.06357 67 8 O 1S 0.00550 -0.00816 0.00314 0.02035 0.01572 68 2S -0.23119 -0.33214 -0.12537 -0.13919 -0.13045 69 2PX -0.02417 -0.08189 0.09782 -0.11841 0.04681 70 2PY 0.04986 0.03854 0.07317 0.09826 0.11791 71 2PZ 0.01672 -0.01075 -0.01537 0.13598 -0.04541 72 3S 0.32606 1.10223 0.16957 -0.60024 0.03557 73 3PX -0.00402 0.45933 -0.07982 -0.11493 0.23710 74 3PY -0.07800 -0.17814 -0.05970 0.03157 -0.03140 75 3PZ -0.03379 -0.04645 -0.07427 -0.14761 -0.00027 76 4XX 0.09912 -0.04740 0.09346 0.18039 0.18982 77 4YY -0.07664 -0.12076 -0.02470 -0.04094 -0.01814 78 4ZZ -0.07084 0.02973 -0.08813 -0.13062 -0.15109 79 4XY 0.06346 -0.01720 0.07983 0.13625 -0.01724 80 4XZ 0.01973 0.05388 0.03824 -0.16313 0.15419 81 4YZ 0.03503 -0.11032 0.03171 0.27245 0.04354 82 9 H 1S 0.04576 -0.00004 0.11319 -0.00039 0.31253 83 2S -0.04622 0.00003 -0.02947 0.00002 -0.02109 84 10 C 1S 0.02663 0.00195 0.00623 0.01261 -0.00522 85 2S 0.33970 0.27202 0.33498 0.21451 -0.22688 86 2PX 0.00512 0.02687 0.01680 0.00061 0.01294 87 2PY -0.08340 -0.04637 -0.14023 -0.00335 0.03801 88 2PZ -0.04525 -0.14357 -0.03919 -0.06372 0.04004 89 3S -0.87009 -0.87601 -0.15122 -0.61097 -0.04260 90 3PX -0.17075 -0.03716 0.03074 -0.03778 0.03188 91 3PY 0.02484 0.07547 0.18895 0.36661 -0.16296 92 3PZ 0.54226 0.35434 0.12246 0.18115 -0.16574 93 4XX 0.23697 0.08395 0.23595 0.01534 -0.00665 94 4YY -0.02871 0.10301 -0.29336 0.02158 0.03583 95 4ZZ -0.17619 -0.13771 0.10149 -0.02595 -0.01714 96 4XY 0.00479 0.06095 0.03394 0.08874 0.07672 97 4XZ 0.20503 0.23159 -0.11725 0.01907 0.08777 98 4YZ 0.11656 0.04101 0.09905 0.01439 -0.15291 99 11 C 1S -0.01122 -0.02604 0.00400 0.00985 -0.00957 100 2S -0.18355 -0.37199 -0.02303 0.02700 -0.20625 101 2PX -0.08799 0.08543 -0.05790 -0.05897 0.05221 102 2PY -0.02342 -0.05581 0.03378 0.01829 0.04112 103 2PZ 0.17743 0.06324 0.09846 0.07619 -0.08079 104 3S 0.92242 1.45754 -0.02935 -0.20815 0.36767 105 3PX 0.21542 -0.33212 -0.21379 0.09914 -0.12262 106 3PY -0.52879 -0.37082 0.22151 0.00022 -0.18680 107 3PZ 0.11617 -0.31029 -0.10738 -0.15531 0.08781 108 4XX 0.35921 0.22513 -0.07072 0.01218 -0.09757 109 4YY -0.18781 -0.14126 0.13502 -0.02314 0.01662 110 4ZZ -0.09856 -0.00948 -0.08623 0.01801 0.09496 111 4XY -0.17905 0.11063 0.08072 -0.05740 0.13032 112 4XZ -0.04877 0.24322 -0.06861 0.04755 0.00462 113 4YZ -0.06566 0.28370 0.07461 0.05167 0.06151 114 12 C 1S 0.02150 0.01303 -0.00922 -0.01409 0.00379 115 2S -0.34257 0.04297 -0.06430 -0.29364 0.12574 116 2PX 0.08349 0.04461 -0.00266 0.05943 -0.01194 117 2PY 0.08857 0.04307 0.01195 0.01026 -0.03249 118 2PZ -0.11464 -0.02509 0.03431 -0.01129 0.00195 119 3S -0.23157 -0.72763 0.22038 0.72382 -0.16213 120 3PX -0.28098 0.20096 0.15608 -0.30223 0.01891 121 3PY -0.19507 0.09837 -0.03560 -0.25810 0.08991 122 3PZ -0.14623 -0.12916 0.42361 0.00502 -0.19039 123 4XX -0.08170 -0.03378 0.28314 0.01391 -0.23823 124 4YY 0.25274 -0.07667 -0.02926 -0.03491 -0.02211 125 4ZZ -0.09748 0.12712 -0.28101 0.05376 0.25419 126 4XY -0.27464 0.19859 0.16397 0.08705 -0.06603 127 4XZ -0.16647 0.11212 -0.19491 -0.05879 0.09790 128 4YZ -0.15364 0.08840 0.29412 0.08352 -0.05534 129 13 C 1S 0.02149 -0.01303 -0.00923 0.01408 0.00382 130 2S -0.34260 -0.04285 -0.06430 0.29334 0.12640 131 2PX 0.08346 -0.04463 -0.00267 -0.05941 -0.01210 132 2PY -0.08855 0.04309 -0.01189 0.01019 0.03250 133 2PZ -0.11463 0.02509 0.03431 0.01128 0.00201 134 3S -0.23110 0.72757 0.22064 -0.72343 -0.16344 135 3PX -0.28091 -0.20106 0.15585 0.30220 0.01957 136 3PY 0.19521 0.09830 0.03555 -0.25786 -0.09043 137 3PZ -0.14609 0.12887 0.42379 -0.00458 -0.19046 138 4XX -0.08174 0.03354 0.28326 -0.01338 -0.23833 139 4YY 0.25279 0.07664 -0.02913 0.03496 -0.02204 140 4ZZ -0.09749 -0.12687 -0.28129 -0.05433 0.25415 141 4XY 0.27466 0.19863 -0.16364 0.08689 0.06613 142 4XZ -0.16650 -0.11189 -0.19493 0.05855 0.09800 143 4YZ 0.15372 0.08864 -0.29399 0.08340 0.05548 144 14 C 1S -0.01121 0.02604 0.00401 -0.00983 -0.00958 145 2S -0.18342 0.37220 -0.02292 -0.02654 -0.20611 146 2PX -0.08802 -0.08537 -0.05798 0.05885 0.05235 147 2PY 0.02336 -0.05575 -0.03389 0.01839 -0.04103 148 2PZ 0.17742 -0.06338 0.09841 -0.07598 -0.08101 149 3S 0.92187 -1.45812 -0.02998 0.20724 0.36746 150 3PX 0.21539 0.33232 -0.21345 -0.09884 -0.12288 151 3PY 0.52843 -0.37100 -0.22134 -0.00025 0.18636 152 3PZ 0.11631 0.31020 -0.10701 0.15508 0.08817 153 4XX 0.35903 -0.22518 -0.07087 -0.01194 -0.09765 154 4YY -0.18765 0.14114 0.13507 0.02310 0.01671 155 4ZZ -0.09857 0.00965 -0.08621 -0.01823 0.09490 156 4XY 0.17911 0.11066 -0.08064 -0.05712 -0.13046 157 4XZ -0.04879 -0.24319 -0.06886 -0.04761 0.00448 158 4YZ 0.06571 0.28375 -0.07424 0.05181 -0.06145 159 15 C 1S 0.02663 -0.00197 0.00624 -0.01260 -0.00525 160 2S 0.33954 -0.27245 0.33473 -0.21399 -0.22742 161 2PX 0.00510 -0.02688 0.01677 -0.00063 0.01294 162 2PY 0.08336 -0.04657 0.14020 -0.00327 -0.03801 163 2PZ -0.04519 0.14361 -0.03898 0.06362 0.04017 164 3S -0.86939 0.87662 -0.15110 0.61114 -0.04044 165 3PX -0.17066 0.03720 0.03062 0.03770 0.03210 166 3PY -0.02472 0.07569 -0.18908 0.36623 0.16408 167 3PZ 0.54204 -0.35464 0.12239 -0.18072 -0.16648 168 4XX 0.23696 -0.08427 0.23584 -0.01531 -0.00669 169 4YY -0.02872 -0.10270 -0.29346 -0.02168 0.03576 170 4ZZ -0.17618 0.13766 0.10162 0.02598 -0.01704 171 4XY -0.00482 0.06102 -0.03383 0.08890 -0.07654 172 4XZ 0.20489 -0.23162 -0.11743 -0.01929 0.08770 173 4YZ -0.11656 0.04102 -0.09907 0.01402 0.15297 174 16 H 1S 0.05698 0.15350 -0.10684 0.02103 0.17811 175 2S -0.12347 -0.05402 -0.00380 -0.06348 0.03082 176 17 H 1S 0.11466 0.05367 -0.14767 0.02684 0.01521 177 2S 0.15986 -0.08830 -0.08753 0.03791 0.01540 178 18 H 1S -0.03993 -0.01043 0.38507 -0.04790 -0.18764 179 2S -0.01017 0.01246 0.04935 -0.05444 -0.01494 180 19 H 1S -0.03992 0.01012 0.38512 0.04835 -0.18758 181 2S -0.01014 -0.01249 0.04940 0.05448 -0.01486 182 20 H 1S 0.11452 -0.05357 -0.14762 -0.02688 0.01510 183 2S 0.15983 0.08828 -0.08735 -0.03795 0.01523 184 21 H 1S 0.05689 -0.15348 -0.10699 -0.02145 0.17809 185 2S -0.12340 0.05407 -0.00383 0.06340 0.03107 186 22 H 1S 0.31302 -0.06335 -0.25209 -0.03112 0.12823 187 2S 0.07925 0.07997 -0.08660 0.07609 0.01751 188 23 H 1S 0.31302 0.06348 -0.25200 0.03083 0.12828 189 2S 0.07916 -0.07992 -0.08667 -0.07613 0.01734 151 152 153 154 155 V V V V V Eigenvalues -- 2.23785 2.26190 2.27823 2.27963 2.31629 1 1 C 1S 0.01493 0.00356 0.01775 0.01602 -0.00403 2 2S 0.27142 0.31998 0.13295 0.31348 0.15415 3 2PX -0.02217 -0.03452 0.07144 -0.03331 -0.05162 4 2PY -0.03736 0.14705 0.10698 -0.01059 0.00857 5 2PZ 0.05501 0.06931 -0.01750 0.03511 0.07481 6 3S -0.87045 -0.06821 -0.33552 -1.37924 -0.27113 7 3PX 0.17272 0.29401 0.21202 0.07850 0.39889 8 3PY -0.18003 -0.40668 -0.11487 -0.43384 -0.34131 9 3PZ -0.28380 -0.23829 -0.05160 -0.47140 -0.22021 10 4XX -0.07185 0.00515 -0.28111 -0.07894 -0.09090 11 4YY -0.03117 -0.19697 -0.10296 -0.01292 0.01279 12 4ZZ 0.09167 0.16767 0.42927 0.05232 0.04893 13 4XY -0.17028 -0.08312 -0.13917 -0.15396 -0.14709 14 4XZ 0.19336 0.05485 0.02402 -0.02637 0.22286 15 4YZ -0.09583 0.03713 -0.00826 -0.13040 -0.07104 16 2 C 1S -0.01494 0.00357 0.01778 -0.01598 0.00403 17 2S -0.27152 0.32012 0.13359 -0.31294 -0.15404 18 2PX 0.02217 -0.03454 0.07139 0.03343 0.05165 19 2PY -0.03732 -0.14705 -0.10694 -0.01090 0.00859 20 2PZ -0.05501 0.06931 -0.01744 -0.03510 -0.07482 21 3S 0.87059 -0.06884 -0.33843 1.37844 0.27108 22 3PX -0.17270 0.29408 0.21220 -0.07795 -0.39899 23 3PY -0.18012 0.40687 0.11578 -0.43338 -0.34127 24 3PZ 0.28386 -0.23845 -0.05259 0.47108 0.21999 25 4XX 0.07184 0.00509 -0.28128 0.07840 0.09106 26 4YY 0.03119 -0.19696 -0.10298 0.01261 -0.01271 27 4ZZ -0.09167 0.16771 0.42938 -0.05141 -0.04925 28 4XY -0.17024 0.08325 0.13942 -0.15366 -0.14719 29 4XZ -0.19337 0.05488 0.02396 0.02642 -0.22285 30 4YZ -0.09581 -0.03706 0.00844 -0.13041 -0.07113 31 3 C 1S 0.00000 -0.02077 0.00189 -0.00001 0.00000 32 2S 0.00003 -0.16599 -0.25821 -0.00030 0.00001 33 2PX 0.00000 0.04630 -0.09845 -0.00007 0.00001 34 2PY -0.01198 0.00000 -0.00001 0.00287 -0.00334 35 2PZ 0.00000 0.00935 0.03888 0.00004 -0.00002 36 3S -0.00005 0.59083 0.04535 0.00026 0.00002 37 3PX -0.00004 0.13823 0.11291 0.00017 0.00009 38 3PY 0.02061 0.00003 0.00005 -0.01962 0.07511 39 3PZ 0.00000 -0.51430 -0.29773 -0.00044 0.00015 40 4XX -0.00002 0.09862 -0.16275 -0.00011 0.00014 41 4YY 0.00001 0.13461 0.16136 0.00021 0.00002 42 4ZZ 0.00000 -0.25353 0.02380 -0.00008 -0.00014 43 4XY -0.06887 0.00002 0.00005 -0.02984 -0.01255 44 4XZ 0.00001 -0.12393 -0.41530 -0.00044 0.00018 45 4YZ -0.30610 0.00012 0.00015 -0.18064 -0.26788 46 4 O 1S -0.01239 0.00446 -0.00623 -0.00404 -0.01623 47 2S 0.03740 -0.00536 -0.18312 -0.11886 0.13119 48 2PX 0.06425 0.03375 0.06769 -0.03169 0.09280 49 2PY 0.05316 -0.03863 -0.05776 0.02378 0.06827 50 2PZ -0.02211 -0.04168 -0.02267 -0.01173 -0.02139 51 3S 0.28084 -0.04626 0.43678 0.47505 0.11586 52 3PX 0.01123 0.09505 0.00088 0.18759 -0.12809 53 3PY -0.01962 0.01282 0.15673 0.03110 -0.01874 54 3PZ -0.11914 0.05786 -0.08981 -0.06449 -0.08303 55 4XX 0.02299 -0.11834 -0.39496 0.04661 -0.02078 56 4YY -0.06195 -0.00242 -0.03025 -0.08234 -0.00982 57 4ZZ 0.02281 0.12611 0.36593 0.01412 0.00311 58 4XY -0.08471 0.00364 -0.07810 -0.07091 -0.08443 59 4XZ 0.15851 -0.00919 -0.30368 0.16299 0.12827 60 4YZ -0.12164 0.04277 0.14719 -0.05254 -0.12236 61 5 H 1S 0.04525 -0.13405 -0.09957 0.01098 -0.03294 62 2S -0.06055 -0.12918 0.02331 -0.07256 -0.17656 63 6 H 1S -0.04525 -0.13403 -0.09956 -0.01126 0.03294 64 2S 0.06055 -0.12920 0.02316 0.07253 0.17646 65 7 H 1S -0.00001 -0.03514 0.21432 0.00019 -0.00008 66 2S -0.00001 -0.19390 -0.14014 -0.00019 0.00012 67 8 O 1S 0.01239 0.00445 -0.00624 0.00403 0.01622 68 2S -0.03738 -0.00542 -0.18339 0.11850 -0.13111 69 2PX -0.06424 0.03374 0.06762 0.03183 -0.09279 70 2PY 0.05315 0.03862 0.05774 0.02392 0.06829 71 2PZ 0.02212 -0.04168 -0.02269 0.01166 0.02141 72 3S -0.28085 -0.04599 0.43780 -0.47425 -0.11592 73 3PX -0.01127 0.09513 0.00129 -0.18750 0.12811 74 3PY -0.01962 -0.01282 -0.15681 0.03079 -0.01877 75 3PZ 0.11914 0.05779 -0.08995 0.06436 0.08298 76 4XX -0.02303 -0.11830 -0.39488 -0.04741 0.02109 77 4YY 0.06196 -0.00247 -0.03038 0.08227 0.00982 78 4ZZ -0.02278 0.12611 0.36593 -0.01336 -0.00349 79 4XY -0.08468 -0.00358 0.07823 -0.07076 -0.08451 80 4XZ -0.15854 -0.00908 -0.30335 -0.16356 -0.12809 81 4YZ -0.12165 -0.04271 -0.14715 -0.05283 -0.12210 82 9 H 1S -0.00001 0.17703 -0.00072 0.00005 0.00005 83 2S 0.00001 0.09361 0.15836 0.00017 -0.00009 84 10 C 1S 0.00647 -0.00848 -0.00417 -0.02784 0.00783 85 2S 0.14715 -0.39000 0.05072 -0.38704 0.16086 86 2PX -0.02352 -0.01839 0.03644 -0.07376 0.01290 87 2PY -0.03850 0.09390 -0.00202 -0.07258 0.00568 88 2PZ 0.03570 0.09667 -0.04408 0.05668 0.06064 89 3S -1.50094 0.42961 0.05273 2.98712 -1.41648 90 3PX -0.45521 -0.09576 0.01868 0.60660 0.09638 91 3PY 0.53525 -0.04479 0.07328 -1.03316 0.66566 92 3PZ 0.43712 -0.26799 0.05294 -1.62223 0.77848 93 4XX -0.25725 -0.27237 0.05677 -0.15000 0.08154 94 4YY -0.02042 0.19187 -0.01932 0.07062 -0.03652 95 4ZZ 0.20403 0.09433 -0.05006 0.11139 -0.12971 96 4XY 0.19428 -0.04918 0.06052 0.39468 -0.33596 97 4XZ 0.20471 0.14871 -0.11363 -0.06674 -0.35843 98 4YZ 0.02501 -0.02057 -0.03430 0.03774 -0.18230 99 11 C 1S -0.00554 0.00534 0.00959 0.03401 -0.00910 100 2S -0.41099 0.13887 -0.07540 0.39066 -0.43263 101 2PX -0.01151 0.03073 -0.00413 -0.00370 0.00152 102 2PY 0.10836 0.00053 0.03924 -0.01188 0.07783 103 2PZ 0.01852 -0.06477 -0.00203 -0.10895 0.08116 104 3S 1.17959 -0.46724 -0.08151 -2.70787 1.25858 105 3PX 0.48247 0.32911 -0.09206 -0.41716 -0.13443 106 3PY -0.98348 -0.22497 -0.01634 1.54143 -0.74929 107 3PZ 0.20222 0.05045 -0.01235 -0.05303 -0.20902 108 4XX 0.17407 0.21919 0.03625 -0.36095 0.08260 109 4YY -0.23217 -0.31154 0.10525 0.07247 -0.01474 110 4ZZ 0.10867 0.07239 -0.10200 0.20753 0.01072 111 4XY -0.24420 -0.18407 0.12521 0.10261 0.24284 112 4XZ 0.04083 0.04986 -0.06672 0.00013 -0.11281 113 4YZ -0.18054 -0.17606 0.04753 0.05661 -0.06959 114 12 C 1S 0.02873 0.01046 -0.00120 -0.03966 -0.00489 115 2S 0.20231 0.03202 -0.03578 -0.26142 0.17716 116 2PX 0.04025 0.03764 -0.00636 -0.06888 0.02007 117 2PY -0.01779 -0.02674 0.00384 -0.02158 -0.08032 118 2PZ -0.05580 0.02807 -0.00784 0.06288 -0.00305 119 3S -1.56417 -0.13298 0.09293 2.23717 -0.71291 120 3PX -0.03488 0.09384 -0.07257 -0.37535 0.17329 121 3PY 0.42483 0.03988 0.02338 -0.42902 -0.10845 122 3PZ -0.23617 -0.12585 0.01101 0.52993 0.13380 123 4XX 0.11335 0.39894 -0.11401 -0.26711 -0.01921 124 4YY -0.04734 0.01873 -0.00762 0.08578 0.17106 125 4ZZ -0.08163 -0.38808 0.13373 0.18324 -0.23233 126 4XY -0.19810 0.12539 -0.07645 0.24109 0.15646 127 4XZ -0.18562 0.08549 -0.06173 -0.08951 -0.19391 128 4YZ -0.20764 0.03065 -0.02834 0.28744 0.10435 129 13 C 1S -0.02873 0.01043 -0.00128 0.03967 0.00486 130 2S -0.20232 0.03188 -0.03633 0.26142 -0.17676 131 2PX -0.04026 0.03759 -0.00651 0.06891 -0.02006 132 2PY -0.01782 0.02677 -0.00381 -0.02152 -0.08008 133 2PZ 0.05584 0.02811 -0.00772 -0.06290 0.00309 134 3S 1.56432 -0.13163 0.09758 -2.23719 0.71320 135 3PX 0.03481 0.09355 -0.07336 0.37532 -0.17367 136 3PY 0.42481 -0.03954 -0.02250 -0.42900 -0.10861 137 3PZ 0.23634 -0.12536 0.01207 -0.53008 -0.13393 138 4XX -0.11327 0.39883 -0.11457 0.26704 0.02000 139 4YY 0.04734 0.01881 -0.00745 -0.08586 -0.17174 140 4ZZ 0.08155 -0.38805 0.13412 -0.18306 0.23206 141 4XY -0.19818 -0.12554 0.07601 0.24122 0.15638 142 4XZ 0.18553 0.08544 -0.06194 0.08950 0.19382 143 4YZ -0.20774 -0.03078 0.02780 0.28761 0.10477 144 14 C 1S 0.00555 0.00536 0.00967 -0.03399 0.00913 145 2S 0.41108 0.13907 -0.07453 -0.39080 0.43288 146 2PX 0.01148 0.03072 -0.00415 0.00372 -0.00153 147 2PY 0.10835 -0.00051 -0.03919 -0.01197 0.07795 148 2PZ -0.01849 -0.06480 -0.00226 0.10890 -0.08130 149 3S -1.17999 -0.46879 -0.08717 2.70766 -1.26006 150 3PX -0.48242 0.32876 -0.09285 0.41708 0.13393 151 3PY -0.98365 0.22417 0.01313 1.54170 -0.75000 152 3PZ -0.20249 0.05046 -0.01245 0.05337 0.20859 153 4XX -0.17410 0.21903 0.03556 0.36125 -0.08120 154 4YY 0.23224 -0.31157 0.10540 -0.07249 0.01467 155 4ZZ -0.10872 0.07253 -0.10161 -0.20772 -0.01207 156 4XY -0.24425 0.18395 -0.12537 0.10243 0.24175 157 4XZ -0.04082 0.04990 -0.06670 -0.00030 0.11187 158 4YZ -0.18052 0.17599 -0.04762 0.05670 -0.06909 159 15 C 1S -0.00647 -0.00849 -0.00422 0.02783 -0.00789 160 2S -0.14708 -0.39017 0.04998 0.38681 -0.16163 161 2PX 0.02353 -0.01842 0.03630 0.07383 -0.01265 162 2PY -0.03847 -0.09390 0.00217 -0.07265 0.00516 163 2PZ -0.03574 0.09669 -0.04400 -0.05669 -0.06055 164 3S 1.50115 0.43094 0.05878 -2.98681 1.41800 165 3PX 0.45518 -0.09539 0.01985 -0.60654 -0.09585 166 3PY 0.53525 0.04521 -0.07121 -1.03351 0.66605 167 3PZ -0.43709 -0.26872 0.04964 1.62201 -0.77895 168 4XX 0.25723 -0.27240 0.05647 0.14995 -0.08170 169 4YY 0.02034 0.19186 -0.01918 -0.07045 0.03744 170 4ZZ -0.20393 0.09437 -0.04982 -0.11153 0.12876 171 4XY 0.19435 0.04898 -0.06136 0.39453 -0.33668 172 4XZ -0.20469 0.14860 -0.11371 0.06662 0.35713 173 4YZ 0.02502 0.02060 0.03419 0.03784 -0.18226 174 16 H 1S 0.02371 -0.00357 -0.00526 0.13777 -0.13557 175 2S -0.16839 0.03380 -0.05053 0.46574 -0.18527 176 17 H 1S 0.20467 0.25655 -0.03137 -0.10120 0.07107 177 2S 0.22799 0.13076 0.00970 -0.32816 0.13279 178 18 H 1S 0.06420 0.21024 -0.07501 -0.05450 0.27858 179 2S 0.03951 -0.12938 -0.01700 -0.00638 0.07739 180 19 H 1S -0.06409 0.21028 -0.07517 0.05439 -0.27868 181 2S -0.03953 -0.12932 -0.01699 0.00629 -0.07751 182 20 H 1S -0.20470 0.25654 -0.03158 0.10133 -0.07086 183 2S -0.22801 0.13058 0.00903 0.32825 -0.13305 184 21 H 1S -0.02377 -0.00353 -0.00497 -0.13774 0.13551 185 2S 0.16839 0.03401 -0.04960 -0.46582 0.18539 186 22 H 1S 0.21134 -0.23743 0.09586 -0.07631 0.00329 187 2S 0.02522 0.05150 0.00414 -0.05054 0.07189 188 23 H 1S -0.21142 -0.23748 0.09573 0.07642 -0.00355 189 2S -0.02523 0.05151 0.00402 0.05061 -0.07153 156 157 158 159 160 V V V V V Eigenvalues -- 2.31862 2.37240 2.41459 2.44860 2.45989 1 1 C 1S 0.00092 0.00843 -0.00474 0.00023 0.01217 2 2S 0.03907 0.36729 0.19117 -0.20313 0.12963 3 2PX 0.01679 -0.01828 -0.02789 -0.02978 -0.03593 4 2PY -0.00413 -0.02382 -0.00947 -0.04387 0.06319 5 2PZ -0.00480 0.07999 0.06929 -0.02467 0.00175 6 3S -0.05848 -1.19227 -0.22159 0.17180 -0.29215 7 3PX -0.05330 0.19465 0.02665 0.07245 0.08998 8 3PY 0.00611 -0.59567 -0.14940 0.01916 -0.03992 9 3PZ -0.04660 -0.35983 -0.08298 0.10362 -0.26615 10 4XX 0.03417 -0.12225 -0.08446 -0.14944 0.21448 11 4YY 0.02141 -0.01837 0.00077 0.06690 -0.04090 12 4ZZ -0.07691 0.06570 0.03476 0.15158 -0.17607 13 4XY 0.03682 -0.06415 -0.01416 -0.02648 0.02731 14 4XZ 0.00076 0.09712 0.02490 -0.08344 0.13315 15 4YZ 0.02131 0.01507 0.01860 -0.00581 0.03199 16 2 C 1S 0.00091 -0.00843 0.00474 0.00022 0.01215 17 2S 0.03964 -0.36733 -0.19118 -0.20344 0.12901 18 2PX 0.01658 0.01830 0.02789 -0.02975 -0.03581 19 2PY 0.00408 -0.02380 -0.00945 0.04384 -0.06319 20 2PZ -0.00453 -0.08000 -0.06928 -0.02474 0.00160 21 3S -0.05965 1.19229 0.22157 0.17300 -0.29033 22 3PX -0.05181 -0.19465 -0.02666 0.07235 0.08980 23 3PY -0.00477 -0.59574 -0.14947 -0.01966 0.03949 24 3PZ -0.04749 0.35981 0.08299 0.10410 -0.26512 25 4XX 0.03386 0.12225 0.08447 -0.14940 0.21459 26 4YY 0.02147 0.01838 -0.00077 0.06693 -0.04092 27 4ZZ -0.07676 -0.06571 -0.03477 0.15158 -0.17605 28 4XY -0.03626 -0.06414 -0.01416 0.02648 -0.02758 29 4XZ 0.00156 -0.09713 -0.02491 -0.08343 0.13324 30 4YZ -0.02103 0.01508 0.01861 0.00585 -0.03227 31 3 C 1S -0.00062 0.00000 0.00000 0.01083 -0.00766 32 2S 0.01192 0.00001 0.00001 -0.07478 -0.05412 33 2PX 0.00222 0.00000 0.00001 -0.07595 0.00541 34 2PY 0.00000 -0.00347 -0.03748 -0.00001 -0.00003 35 2PZ -0.00923 0.00000 0.00000 0.01256 0.00980 36 3S -0.01689 -0.00004 0.00000 -0.27362 0.26625 37 3PX 0.04744 -0.00002 -0.00001 0.04693 -0.01679 38 3PY -0.00014 0.00974 -0.00780 -0.00002 -0.00003 39 3PZ 0.09363 0.00002 0.00001 0.08557 -0.16231 40 4XX 0.06688 -0.00001 0.00000 0.29381 -0.46652 41 4YY -0.00054 0.00001 0.00000 -0.02652 0.07565 42 4ZZ -0.05748 0.00000 0.00000 -0.24237 0.40590 43 4XY 0.00002 -0.08093 -0.05165 -0.00004 0.00001 44 4XZ 0.08192 0.00001 0.00001 0.31871 -0.50169 45 4YZ 0.00050 -0.23658 -0.05637 -0.00004 0.00000 46 4 O 1S -0.00184 -0.00997 -0.00039 -0.00028 -0.00140 47 2S 0.00609 0.05964 0.09274 -0.04568 -0.07378 48 2PX 0.00115 0.06186 0.03362 0.03638 -0.04352 49 2PY -0.00546 0.02892 0.01156 -0.01815 0.00053 50 2PZ 0.00472 -0.01780 -0.01645 0.01278 -0.04427 51 3S 0.01002 0.20612 -0.11760 0.07809 0.24127 52 3PX 0.01100 -0.02377 -0.06053 -0.19556 0.30204 53 3PY 0.00914 0.02844 -0.04087 0.07131 0.04068 54 3PZ -0.01447 -0.07310 0.01737 -0.08155 0.13221 55 4XX 0.08093 0.01589 -0.01838 -0.08855 0.09028 56 4YY -0.00839 -0.03687 -0.02050 -0.00544 0.05411 57 4ZZ -0.08891 -0.00539 0.04704 0.09333 -0.14421 58 4XY 0.02172 -0.07592 -0.02413 -0.19275 0.25654 59 4XZ 0.04347 0.15702 0.10818 -0.00680 -0.00227 60 4YZ -0.06581 -0.12431 -0.02262 -0.22341 0.34953 61 5 H 1S 0.00810 -0.04333 -0.02865 -0.08304 0.05801 62 2S -0.01537 -0.13927 -0.05027 0.04993 -0.09748 63 6 H 1S 0.00797 0.04334 0.02866 -0.08299 0.05799 64 2S -0.01603 0.13928 0.05029 0.05007 -0.09728 65 7 H 1S -0.02863 0.00000 0.00000 -0.16032 0.26489 66 2S 0.06639 0.00001 0.00000 0.15927 -0.19507 67 8 O 1S -0.00190 0.00997 0.00039 -0.00028 -0.00140 68 2S 0.00654 -0.05964 -0.09274 -0.04568 -0.07382 69 2PX 0.00148 -0.06186 -0.03363 0.03637 -0.04354 70 2PY 0.00521 0.02891 0.01155 0.01816 -0.00046 71 2PZ 0.00464 0.01781 0.01646 0.01279 -0.04427 72 3S 0.01054 -0.20608 0.11758 0.07787 0.24084 73 3PX 0.01056 0.02376 0.06054 -0.19565 0.30186 74 3PY -0.00908 0.02842 -0.04084 -0.07131 -0.04079 75 3PZ -0.01477 0.07309 -0.01738 -0.08154 0.13226 76 4XX 0.08088 -0.01588 0.01839 -0.08863 0.09038 77 4YY -0.00844 0.03689 0.02051 -0.00542 0.05424 78 4ZZ -0.08891 0.00535 -0.04704 0.09340 -0.14441 79 4XY -0.02140 -0.07592 -0.02411 0.19271 -0.25659 80 4XZ 0.04395 -0.15704 -0.10817 -0.00693 -0.00244 81 4YZ 0.06626 -0.12430 -0.02262 0.22336 -0.34940 82 9 H 1S 0.02416 -0.00001 0.00000 0.21041 -0.31987 83 2S -0.04652 -0.00001 -0.00001 -0.07610 0.17228 84 10 C 1S -0.01389 0.00046 -0.02120 0.02173 0.01322 85 2S -0.19121 0.19492 -0.13238 0.14292 0.00324 86 2PX 0.07006 0.00137 -0.01412 0.00983 -0.00458 87 2PY 0.14392 0.04809 -0.14074 0.00513 0.02416 88 2PZ 0.01728 -0.09987 0.10348 -0.01287 0.03372 89 3S 0.38321 -0.42331 0.31415 -0.75888 -0.57078 90 3PX 0.16609 0.00422 0.11289 -0.10193 -0.02935 91 3PY -0.07991 -0.10507 -0.32835 -0.11474 -0.19357 92 3PZ -0.14912 0.45758 -0.21100 0.39478 0.18538 93 4XX -0.03217 0.06881 -0.25878 0.15985 0.10665 94 4YY 0.23296 0.08408 0.17460 0.11144 0.09014 95 4ZZ -0.25327 -0.11739 0.06499 -0.27125 -0.18657 96 4XY 0.19115 0.00257 -0.39762 0.04985 0.07066 97 4XZ -0.35852 -0.21532 0.13244 0.15078 0.12161 98 4YZ -0.01982 0.24323 -0.27185 -0.06906 -0.05072 99 11 C 1S 0.00691 -0.00115 -0.04136 -0.04632 -0.04078 100 2S 0.04079 -0.08537 -0.23435 -0.11340 -0.13547 101 2PX -0.00231 -0.03656 0.17540 0.06178 0.05380 102 2PY -0.02380 -0.01556 0.00079 -0.06378 -0.04931 103 2PZ -0.04330 0.06769 -0.20423 -0.03158 -0.03703 104 3S -0.34775 0.97682 1.35278 1.44898 1.20226 105 3PX -0.18360 0.14000 0.40492 0.23105 0.07849 106 3PY 0.20350 -0.25271 -0.54518 -0.40153 -0.31024 107 3PZ -0.07972 -0.16988 -0.13642 0.04449 0.04135 108 4XX 0.38327 -0.01982 -0.22998 -0.20326 -0.10563 109 4YY -0.00958 0.27797 -0.03624 0.38119 0.18549 110 4ZZ -0.37501 -0.17801 0.21994 -0.20006 -0.10051 111 4XY 0.31046 -0.12091 -0.19706 -0.27601 -0.14371 112 4XZ -0.27624 -0.12370 -0.06751 -0.25999 -0.20470 113 4YZ -0.11975 0.24571 0.02861 -0.03954 -0.02789 114 12 C 1S -0.00987 0.04396 0.06536 0.02765 0.01963 115 2S 0.11044 0.18041 0.40583 0.12454 0.14289 116 2PX -0.00163 0.00910 0.05074 0.04279 0.03773 117 2PY -0.06519 0.06960 0.10563 -0.02619 -0.04190 118 2PZ 0.01188 -0.04647 -0.02774 -0.07774 -0.05029 119 3S 0.08932 -1.42341 -2.42154 -0.74709 -0.58886 120 3PX -0.12471 0.47691 0.45740 0.37580 0.28580 121 3PY 0.04209 0.52461 0.55141 -0.08878 -0.04114 122 3PZ -0.02850 -0.39707 -0.84780 -0.25901 -0.22563 123 4XX 0.18756 0.02671 -0.01780 0.04484 0.05064 124 4YY -0.19326 -0.18656 -0.25462 0.11332 0.04795 125 4ZZ -0.03938 0.19249 0.30051 -0.14122 -0.10775 126 4XY 0.00151 -0.41662 0.17621 0.07136 0.07425 127 4XZ -0.02146 0.23398 0.40878 0.33659 0.26521 128 4YZ -0.13215 0.15107 -0.11107 -0.03609 -0.03410 129 13 C 1S -0.00991 -0.04396 -0.06537 0.02765 0.01968 130 2S 0.11090 -0.18044 -0.40585 0.12459 0.14325 131 2PX -0.00159 -0.00913 -0.05076 0.04281 0.03780 132 2PY 0.06551 0.06959 0.10561 0.02624 0.04187 133 2PZ 0.01191 0.04648 0.02776 -0.07773 -0.05030 134 3S 0.08798 1.42348 2.42157 -0.74737 -0.59129 135 3PX -0.12434 -0.47706 -0.45750 0.37573 0.28655 136 3PY -0.04141 0.52451 0.55127 0.08885 0.04058 137 3PZ -0.02773 0.39711 0.84787 -0.25902 -0.22576 138 4XX 0.18739 -0.02664 0.01774 0.04465 0.05109 139 4YY -0.19257 0.18646 0.25470 0.11340 0.04781 140 4ZZ -0.04019 -0.19245 -0.30053 -0.14114 -0.10806 141 4XY -0.00209 -0.41657 0.17626 -0.07136 -0.07446 142 4XZ -0.02228 -0.23409 -0.40875 0.33650 0.26528 143 4YZ 0.13160 0.15111 -0.11110 0.03613 0.03365 144 14 C 1S 0.00690 0.00116 0.04137 -0.04633 -0.04082 145 2S 0.03941 0.08540 0.23432 -0.11374 -0.13624 146 2PX -0.00236 0.03654 -0.17541 0.06176 0.05386 147 2PY 0.02354 -0.01555 0.00071 0.06372 0.04915 148 2PZ -0.04295 -0.06767 0.20423 -0.03153 -0.03700 149 3S -0.34419 -0.97705 -1.35288 1.44970 1.20406 150 3PX -0.18432 -0.13998 -0.40488 0.23098 0.07854 151 3PY -0.20139 -0.25272 -0.54523 0.40198 0.31138 152 3PZ -0.08054 0.16981 0.13624 0.04466 0.04106 153 4XX 0.38359 0.01991 0.22988 -0.20328 -0.10569 154 4YY -0.00962 -0.27814 0.03620 0.38120 0.18552 155 4ZZ -0.37499 0.17809 -0.21978 -0.19999 -0.10038 156 4XY -0.31135 -0.12097 -0.19704 0.27593 0.14385 157 4XZ -0.27664 0.12368 0.06763 -0.25994 -0.20473 158 4YZ 0.12000 0.24562 0.02858 0.03969 0.02800 159 15 C 1S -0.01386 -0.00046 0.02120 0.02173 0.01321 160 2S -0.19062 -0.19492 0.13244 0.14279 0.00280 161 2PX 0.07010 -0.00137 0.01411 0.00983 -0.00461 162 2PY -0.14397 0.04808 -0.14067 -0.00512 -0.02414 163 2PZ 0.01741 0.09988 -0.10353 -0.01281 0.03388 164 3S 0.37875 0.42342 -0.31408 -0.75910 -0.57070 165 3PX 0.16656 -0.00425 -0.11293 -0.10205 -0.02952 166 3PY 0.07776 -0.10506 -0.32850 0.11470 0.19351 167 3PZ -0.14655 -0.45761 0.21093 0.39498 0.18526 168 4XX -0.03181 -0.06883 0.25878 0.15986 0.10652 169 4YY 0.23281 -0.08416 -0.17464 0.11141 0.09012 170 4ZZ -0.25376 0.11748 -0.06493 -0.27122 -0.18636 171 4XY -0.19007 0.00254 -0.39752 -0.04989 -0.07078 172 4XZ -0.35991 0.21529 -0.13243 0.15075 0.12158 173 4YZ 0.02044 0.24317 -0.27187 0.06915 0.05067 174 16 H 1S -0.00722 -0.15590 0.08267 0.16563 0.16417 175 2S 0.03398 0.02836 0.13020 -0.09790 -0.01905 176 17 H 1S 0.03961 -0.18851 -0.01145 -0.30301 -0.18043 177 2S -0.08664 0.06081 0.08227 0.13060 0.07480 178 18 H 1S -0.06036 -0.05062 -0.15292 0.04289 0.02666 179 2S -0.02009 -0.04193 -0.03881 0.00950 0.00228 180 19 H 1S -0.05933 0.05057 0.15293 0.04290 0.02722 181 2S -0.01982 0.04194 0.03881 0.00952 0.00218 182 20 H 1S 0.03979 0.18859 0.01147 -0.30297 -0.18043 183 2S -0.08628 -0.06079 -0.08227 0.13069 0.07507 184 21 H 1S -0.00771 0.15585 -0.08270 0.16561 0.16408 185 2S 0.03338 -0.02838 -0.13022 -0.09796 -0.01901 186 22 H 1S -0.03995 0.10062 0.04592 -0.08656 -0.07764 187 2S 0.09405 -0.14569 0.05676 -0.04104 -0.01097 188 23 H 1S -0.03994 -0.10055 -0.04588 -0.08645 -0.07792 189 2S 0.09431 0.14569 -0.05678 -0.04099 -0.01089 161 162 163 164 165 V V V V V Eigenvalues -- 2.46406 2.48233 2.51089 2.55040 2.59078 1 1 C 1S 0.00209 0.01727 -0.04820 -0.00496 0.03523 2 2S 0.31567 -0.27734 -0.86497 0.23714 0.02493 3 2PX -0.08219 0.05401 0.10799 0.02434 0.21285 4 2PY 0.04990 -0.15670 0.11596 0.15366 0.14401 5 2PZ 0.07616 -0.03806 -0.18670 -0.02768 -0.07885 6 3S -0.49770 -0.67470 3.60484 0.15554 -0.72528 7 3PX -0.00203 0.79752 -0.36866 -0.77038 0.38402 8 3PY 0.06841 -0.67813 1.45868 0.33671 -0.20855 9 3PZ -0.48459 -0.09277 1.56816 0.42299 -0.54806 10 4XX -0.04133 -0.38386 0.05016 -0.24752 -0.08911 11 4YY 0.08111 -0.23533 0.13750 0.23375 0.08971 12 4ZZ -0.10166 0.66160 -0.03961 -0.00355 0.04285 13 4XY -0.24101 0.17474 0.00370 -0.43038 0.05003 14 4XZ -0.05388 -0.05156 0.13016 -0.07097 0.38287 15 4YZ -0.27265 -0.03688 -0.05434 -0.38538 -0.02210 16 2 C 1S -0.00211 -0.01727 0.04820 0.00496 0.03523 17 2S -0.31581 0.27734 0.86492 -0.23718 0.02494 18 2PX 0.08223 -0.05400 -0.10803 -0.02433 0.21285 19 2PY 0.04999 -0.15670 0.11594 0.15365 -0.14402 20 2PZ -0.07616 0.03805 0.18671 0.02769 -0.07887 21 3S 0.49798 0.67474 -3.60481 -0.15557 -0.72520 22 3PX 0.00185 -0.79750 0.36870 0.77045 0.38392 23 3PY 0.06827 -0.67812 1.45886 0.33679 0.20854 24 3PZ 0.48495 0.09273 -1.56810 -0.42303 -0.54796 25 4XX 0.04107 0.38380 -0.05011 0.24757 -0.08914 26 4YY -0.08103 0.23535 -0.13748 -0.23370 0.08974 27 4ZZ 0.10185 -0.66155 0.03958 0.00346 0.04285 28 4XY -0.24098 0.17475 0.00372 -0.43037 -0.05003 29 4XZ 0.05369 0.05155 -0.13016 0.07099 0.38286 30 4YZ -0.27262 -0.03679 -0.05435 -0.38539 0.02214 31 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.06994 32 2S 0.00003 -0.00001 -0.00002 -0.00002 -0.52141 33 2PX 0.00000 0.00000 -0.00001 -0.00003 -0.55430 34 2PY -0.03669 -0.03960 0.07816 0.03368 -0.00003 35 2PZ -0.00001 0.00000 0.00001 0.00002 0.23186 36 3S -0.00014 0.00002 -0.00001 -0.00011 -2.02854 37 3PX 0.00002 0.00002 -0.00001 -0.00004 -0.79006 38 3PY -0.01461 -0.01459 0.18202 0.15529 -0.00002 39 3PZ 0.00011 0.00001 -0.00003 0.00001 0.12667 40 4XX 0.00027 0.00003 -0.00004 -0.00003 -0.23332 41 4YY -0.00005 0.00000 0.00001 0.00000 0.04858 42 4ZZ -0.00023 -0.00002 0.00003 0.00003 0.36110 43 4XY 0.08029 -0.03110 0.23876 0.26935 -0.00003 44 4XZ 0.00029 0.00001 -0.00001 0.00004 0.43936 45 4YZ 0.14742 -0.03215 0.17259 0.22911 -0.00002 46 4 O 1S -0.00431 -0.00645 0.00307 -0.00866 -0.05992 47 2S 0.05259 -0.12604 0.01312 0.09583 -0.88796 48 2PX 0.00549 0.01811 -0.02181 0.00402 0.02162 49 2PY 0.04878 -0.04543 -0.02110 0.04002 -0.08841 50 2PZ -0.00584 0.07363 0.00271 -0.02447 -0.01892 51 3S 0.14215 0.46334 -0.69176 -0.28300 2.91876 52 3PX 0.07730 -0.06017 -0.31772 -0.14792 0.12654 53 3PY -0.11271 0.20595 0.01314 -0.04836 1.22959 54 3PZ 0.02308 -0.34439 0.10255 0.12660 -0.15616 55 4XX -0.08694 -0.43086 -0.12628 -0.24995 -0.20938 56 4YY -0.04339 0.03487 0.15335 0.01673 0.38890 57 4ZZ 0.11158 0.33000 0.01624 0.21004 -0.45724 58 4XY -0.01633 0.01557 0.06778 -0.04714 -0.07632 59 4XZ 0.03095 -0.14803 -0.32948 -0.17601 -0.29697 60 4YZ 0.16165 -0.30283 0.06304 0.16868 -0.11686 61 5 H 1S 0.06763 -0.22025 0.12507 0.21408 0.04131 62 2S -0.04531 -0.13808 0.45794 0.20326 -0.21085 63 6 H 1S -0.06769 0.22021 -0.12508 -0.21406 0.04133 64 2S 0.04547 0.13810 -0.45799 -0.20332 -0.21081 65 7 H 1S -0.00015 -0.00001 0.00001 0.00000 -0.05128 66 2S 0.00012 0.00001 -0.00001 0.00000 0.09248 67 8 O 1S 0.00431 0.00645 -0.00306 0.00865 -0.05992 68 2S -0.05249 0.12607 -0.01317 -0.09593 -0.88795 69 2PX -0.00544 -0.01809 0.02181 -0.00402 0.02162 70 2PY 0.04878 -0.04543 -0.02109 0.04003 0.08840 71 2PZ 0.00590 -0.07363 -0.00272 0.02447 -0.01892 72 3S -0.14251 -0.46342 0.69189 0.28334 2.91873 73 3PX -0.07765 0.06011 0.31775 0.14795 0.12655 74 3PY -0.11263 0.20593 0.01311 -0.04848 -1.22957 75 3PZ -0.02325 0.34439 -0.10252 -0.12664 -0.15626 76 4XX 0.08684 0.43084 0.12628 0.24993 -0.20940 77 4YY 0.04329 -0.03483 -0.15332 -0.01671 0.38889 78 4ZZ -0.11136 -0.33001 -0.01625 -0.21008 -0.45721 79 4XY -0.01601 0.01559 0.06774 -0.04715 0.07635 80 4XZ -0.03095 0.14804 0.32951 0.17597 -0.29699 81 4YZ 0.16206 -0.30276 0.06300 0.16872 0.11693 82 9 H 1S 0.00018 0.00001 -0.00001 0.00001 0.09865 83 2S -0.00011 -0.00001 0.00002 0.00001 0.16892 84 10 C 1S 0.00591 0.01128 -0.03356 0.00078 0.00613 85 2S 0.26028 0.07273 -0.50534 -0.00708 -0.26925 86 2PX 0.02310 -0.02236 -0.01189 -0.00402 0.01091 87 2PY 0.00801 0.03010 -0.09942 0.01654 -0.04628 88 2PZ -0.08629 -0.00358 0.19661 -0.02248 0.13513 89 3S -0.18408 -0.25024 -0.15605 0.34804 -0.00065 90 3PX 0.04572 0.14539 -0.34447 0.04145 -0.09649 91 3PY -0.07708 -0.15897 -0.42999 0.09075 -0.02890 92 3PZ 0.23405 0.03390 0.35121 -0.25914 0.00333 93 4XX 0.09191 0.09102 -0.25606 0.02142 0.06745 94 4YY 0.00077 -0.04007 0.15247 -0.02364 0.00972 95 4ZZ -0.15088 -0.04500 0.15467 0.01758 0.00475 96 4XY -0.06423 0.00808 0.02020 -0.01090 -0.00514 97 4XZ -0.02383 0.05548 -0.14271 0.05769 0.03976 98 4YZ -0.08440 0.01277 0.04083 0.05353 0.09440 99 11 C 1S 0.02522 -0.01464 -0.05080 0.00062 -0.01787 100 2S 0.37474 -0.05240 -1.36003 0.30841 -0.07748 101 2PX -0.05371 -0.00874 0.04879 0.04028 0.01667 102 2PY -0.08963 -0.03668 0.26533 -0.08168 -0.01841 103 2PZ -0.00637 0.03267 -0.05689 -0.01845 0.04301 104 3S -0.92660 0.28840 3.36134 -0.33259 0.42588 105 3PX -0.05904 -0.22968 0.14462 0.10541 0.00031 106 3PY 0.57339 0.21189 -1.97278 0.27960 -0.26072 107 3PZ 0.38465 0.01465 0.07895 -0.27467 -0.01276 108 4XX 0.05127 0.00698 0.02783 -0.05667 -0.01807 109 4YY -0.01546 -0.01974 0.02886 0.02551 -0.16645 110 4ZZ -0.06289 0.00056 0.22476 -0.06591 0.19181 111 4XY 0.15029 0.02475 0.04530 -0.11437 0.04496 112 4XZ 0.03779 0.03456 -0.07097 -0.01859 -0.11938 113 4YZ 0.02561 -0.00007 0.02001 0.01538 -0.05951 114 12 C 1S -0.03942 -0.01909 0.05938 0.02279 0.01115 115 2S -0.22542 -0.12074 0.62868 0.30960 0.06238 116 2PX -0.03935 0.02026 0.08241 -0.08458 0.02798 117 2PY -0.04870 -0.02434 -0.01859 0.03703 -0.04632 118 2PZ 0.01626 0.00564 -0.04560 -0.00686 -0.02315 119 3S 1.61734 0.64982 -3.58768 -0.85257 -0.27477 120 3PX -0.67890 -0.25586 0.36142 0.79626 0.14050 121 3PY -0.41734 -0.33070 0.95365 0.26358 0.01697 122 3PZ 0.00561 0.00473 -0.90876 0.27118 -0.08399 123 4XX -0.49435 -0.11718 -0.24218 0.31471 -0.01622 124 4YY 0.14911 0.08607 -0.00043 -0.11117 -0.01314 125 4ZZ 0.33143 0.01939 0.14415 -0.26075 0.04191 126 4XY -0.18560 0.02837 -0.21202 0.05974 0.06267 127 4XZ -0.11249 -0.01635 -0.02116 0.13494 0.05709 128 4YZ -0.37733 -0.05283 0.18150 0.13086 -0.01923 129 13 C 1S 0.03940 0.01909 -0.05936 -0.02280 0.01116 130 2S 0.22526 0.12074 -0.62859 -0.30957 0.06243 131 2PX 0.03932 -0.02026 -0.08236 0.08455 0.02797 132 2PY -0.04875 -0.02435 -0.01858 0.03704 0.04631 133 2PZ -0.01622 -0.00565 0.04554 0.00688 -0.02314 134 3S -1.61685 -0.64986 3.58714 0.85264 -0.27484 135 3PX 0.67864 0.25589 -0.36133 -0.79624 0.14055 136 3PY -0.41725 -0.33065 0.95360 0.26347 -0.01700 137 3PZ -0.00538 -0.00472 0.90870 -0.27120 -0.08392 138 4XX 0.49430 0.11716 0.24226 -0.31470 -0.01617 139 4YY -0.14911 -0.08605 0.00039 0.11116 -0.01319 140 4ZZ -0.33135 -0.01939 -0.14419 0.26074 0.04191 141 4XY -0.18542 0.02841 -0.21207 0.05970 -0.06269 142 4XZ 0.11235 0.01636 0.02134 -0.13504 0.05709 143 4YZ -0.37734 -0.05285 0.18150 0.13083 0.01920 144 14 C 1S -0.02518 0.01464 0.05077 -0.00062 -0.01786 145 2S -0.37464 0.05239 1.35992 -0.30840 -0.07741 146 2PX 0.05365 0.00874 -0.04878 -0.04028 0.01668 147 2PY -0.08969 -0.03667 0.26537 -0.08170 0.01842 148 2PZ 0.00639 -0.03266 0.05696 0.01842 0.04299 149 3S 0.92543 -0.28843 -3.36022 0.33252 0.42555 150 3PX 0.05899 0.22970 -0.14441 -0.10548 0.00029 151 3PY 0.57312 0.21190 -1.97250 0.27960 0.26056 152 3PZ -0.38468 -0.01466 -0.07935 0.27478 -0.01279 153 4XX -0.05117 -0.00700 -0.02793 0.05667 -0.01802 154 4YY 0.01530 0.01975 -0.02869 -0.02550 -0.16649 155 4ZZ 0.06299 -0.00054 -0.22482 0.06590 0.19179 156 4XY 0.15015 0.02476 0.04539 -0.11436 -0.04493 157 4XZ -0.03759 -0.03455 0.07080 0.01862 -0.11940 158 4YZ 0.02557 -0.00007 0.02006 0.01537 0.05940 159 15 C 1S -0.00592 -0.01128 0.03358 -0.00078 0.00612 160 2S -0.26031 -0.07273 0.50557 0.00704 -0.26925 161 2PX -0.02309 0.02236 0.01191 0.00401 0.01091 162 2PY 0.00801 0.03011 -0.09933 0.01651 0.04627 163 2PZ 0.08626 0.00358 -0.19663 0.02248 0.13512 164 3S 0.18473 0.25028 0.15544 -0.34804 -0.00024 165 3PX -0.04569 -0.14539 0.34438 -0.04145 -0.09641 166 3PY -0.07725 -0.15900 -0.42991 0.09072 0.02898 167 3PZ -0.23428 -0.03391 -0.35090 0.25914 0.00316 168 4XX -0.09200 -0.09102 0.25618 -0.02144 0.06739 169 4YY -0.00083 0.04007 -0.15248 0.02365 0.00979 170 4ZZ 0.15103 0.04501 -0.15482 -0.01756 0.00473 171 4XY -0.06417 0.00810 0.02017 -0.01089 0.00514 172 4XZ 0.02369 -0.05547 0.14278 -0.05768 0.03971 173 4YZ -0.08447 0.01277 0.04081 0.05356 -0.09442 174 16 H 1S 0.04740 0.08439 -0.14945 -0.00691 -0.03567 175 2S -0.05828 0.05781 -0.00387 0.04981 -0.00686 176 17 H 1S 0.03270 -0.07609 0.07992 -0.04842 0.08552 177 2S -0.14738 -0.08484 0.41576 -0.09948 0.05676 178 18 H 1S -0.45616 -0.09757 0.08268 0.31379 0.00652 179 2S 0.06297 0.04390 -0.06267 0.05505 -0.01006 180 19 H 1S 0.45612 0.09758 -0.08263 -0.31378 0.00655 181 2S -0.06294 -0.04387 0.06269 -0.05508 -0.01006 182 20 H 1S -0.03253 0.07609 -0.08008 0.04841 0.08553 183 2S 0.14730 0.08484 -0.41571 0.09952 0.05671 184 21 H 1S -0.04756 -0.08440 0.14950 0.00692 -0.03570 185 2S 0.05830 -0.05783 0.00377 -0.04981 -0.00681 186 22 H 1S 0.33640 0.05023 0.39300 -0.27349 -0.02143 187 2S -0.01503 0.07695 0.07883 -0.18947 -0.00030 188 23 H 1S -0.33629 -0.05022 -0.39306 0.27349 -0.02147 189 2S 0.01506 -0.07696 -0.07884 0.18944 -0.00031 166 167 168 169 170 V V V V V Eigenvalues -- 2.63366 2.64875 2.67413 2.69191 2.70151 1 1 C 1S -0.00057 0.02801 0.03238 -0.00368 0.03664 2 2S -0.09764 0.06959 -0.02612 0.00386 0.13761 3 2PX -0.07306 -0.06512 0.05219 -0.04975 -0.04109 4 2PY -0.01535 -0.16755 -0.13825 -0.02805 -0.24577 5 2PZ -0.02381 0.00984 -0.04917 0.04011 0.03656 6 3S 0.17673 -0.88789 -1.13238 0.11591 -1.35654 7 3PX -0.05871 -0.31578 0.02486 -0.06621 -0.21489 8 3PY 0.01176 -0.39851 -0.47809 -0.00523 -0.74080 9 3PZ 0.14033 0.01787 -0.06075 0.04150 -0.13392 10 4XX 0.00108 0.15801 0.14296 0.01806 0.28346 11 4YY 0.00517 -0.30340 -0.26165 -0.00707 -0.47780 12 4ZZ 0.04351 0.14346 0.14218 0.01135 0.14485 13 4XY -0.04985 0.00767 -0.01438 0.04384 -0.04209 14 4XZ -0.12477 -0.13189 0.07355 -0.05764 -0.03477 15 4YZ 0.03505 -0.07098 -0.13439 -0.03418 -0.16970 16 2 C 1S -0.00056 -0.02800 -0.03238 -0.00364 -0.03664 17 2S -0.09771 -0.06952 0.02612 0.00389 -0.13765 18 2PX -0.07302 0.06517 -0.05221 -0.04972 0.04106 19 2PY 0.01536 -0.16757 -0.13825 0.02823 -0.24575 20 2PZ -0.02383 -0.00984 0.04917 0.04009 -0.03656 21 3S 0.17667 0.88776 1.13247 0.11469 1.35666 22 3PX -0.05850 0.31582 -0.02488 -0.06626 0.21490 23 3PY -0.01173 -0.39847 -0.47807 0.00578 -0.74080 24 3PZ 0.14023 -0.01798 0.06075 0.04140 0.13390 25 4XX 0.00111 -0.15802 -0.14295 0.01829 -0.28344 26 4YY 0.00516 0.30339 0.26166 -0.00745 0.47783 27 4ZZ 0.04350 -0.14348 -0.14219 0.01149 -0.14487 28 4XY 0.04983 0.00762 -0.01440 -0.04382 -0.04214 29 4XZ -0.12468 0.13197 -0.07359 -0.05759 0.03473 30 4YZ -0.03505 -0.07091 -0.13434 0.03432 -0.16963 31 3 C 1S -0.01814 0.00001 0.00000 0.00096 0.00000 32 2S 0.09363 -0.00002 0.00001 0.00621 0.00000 33 2PX 0.13573 -0.00004 0.00001 -0.00717 0.00001 34 2PY -0.00003 -0.20438 0.03167 0.00004 -0.25243 35 2PZ -0.06345 0.00001 0.00000 0.00813 -0.00001 36 3S 0.55695 -0.00019 0.00004 0.01191 0.00004 37 3PX 0.27123 -0.00009 0.00001 -0.04996 0.00002 38 3PY -0.00002 -0.27738 -0.03401 0.00007 -0.31162 39 3PZ -0.05907 -0.00002 -0.00001 -0.00059 -0.00002 40 4XX 0.13477 -0.00003 0.00001 -0.04555 0.00001 41 4YY -0.07095 -0.00001 -0.00002 0.02724 -0.00002 42 4ZZ -0.08711 0.00003 0.00000 -0.00996 0.00000 43 4XY -0.00002 -0.24093 0.02568 0.00005 -0.30105 44 4XZ -0.13239 0.00003 0.00000 0.02869 -0.00002 45 4YZ 0.00003 0.18618 0.04126 -0.00004 0.17880 46 4 O 1S 0.01344 0.02872 0.00077 0.00858 0.01842 47 2S 0.22253 0.12042 -0.13252 0.02274 0.17868 48 2PX -0.00284 -0.04676 -0.03851 -0.01588 -0.03129 49 2PY 0.02111 -0.02674 -0.01905 0.00302 -0.01287 50 2PZ -0.00243 -0.00460 0.01575 0.00280 0.01092 51 3S -0.73503 -0.60901 0.29398 -0.16294 -0.56030 52 3PX -0.03779 0.14284 0.14031 -0.05263 0.18028 53 3PY -0.31316 -0.21032 0.11296 -0.03583 -0.24510 54 3PZ 0.03281 0.08069 -0.06897 0.06909 0.02529 55 4XX 0.07715 0.03770 0.00157 -0.03445 0.04859 56 4YY -0.15848 -0.09908 0.00943 0.07960 -0.15065 57 4ZZ 0.14246 0.17445 -0.00744 -0.00106 0.11926 58 4XY 0.00327 0.10306 0.03275 -0.04744 0.12657 59 4XZ 0.02794 0.10525 -0.07223 0.08319 0.09634 60 4YZ 0.02022 0.05596 0.00449 0.02039 0.04128 61 5 H 1S -0.07154 0.06440 0.11102 0.00681 0.13246 62 2S 0.09427 0.03087 -0.02663 -0.02250 -0.14492 63 6 H 1S -0.07154 -0.06438 -0.11103 0.00695 -0.13248 64 2S 0.09421 -0.03090 0.02662 -0.02256 0.14492 65 7 H 1S -0.00397 0.00000 0.00000 0.00060 0.00000 66 2S 0.00094 -0.00001 -0.00001 -0.03054 0.00000 67 8 O 1S 0.01343 -0.02873 -0.00077 0.00859 -0.01841 68 2S 0.22243 -0.12057 0.13256 0.02271 -0.17863 69 2PX -0.00284 0.04676 0.03850 -0.01592 0.03129 70 2PY -0.02111 -0.02673 -0.01906 -0.00300 -0.01288 71 2PZ -0.00242 0.00459 -0.01575 0.00281 -0.01092 72 3S -0.73470 0.60948 -0.29414 -0.16295 0.56012 73 3PX -0.03777 -0.14281 -0.14034 -0.05246 -0.18031 74 3PY 0.31305 -0.21052 0.11301 0.03583 -0.24504 75 3PZ 0.03277 -0.08070 0.06901 0.06906 -0.02529 76 4XX 0.07715 -0.03775 -0.00157 -0.03441 -0.04860 77 4YY -0.15845 0.09916 -0.00943 0.07956 0.15067 78 4ZZ 0.14238 -0.17451 0.00745 -0.00104 -0.11924 79 4XY -0.00326 0.10307 0.03278 0.04734 0.12660 80 4XZ 0.02788 -0.10526 0.07226 0.08319 -0.09629 81 4YZ -0.02022 0.05600 0.00448 -0.02040 0.04130 82 9 H 1S -0.02428 0.00002 0.00000 0.00772 0.00000 83 2S -0.03191 0.00002 -0.00001 -0.01808 -0.00001 84 10 C 1S 0.03413 -0.09824 -0.01674 -0.02484 0.03178 85 2S 0.01171 -0.30063 -0.03266 0.09101 -0.02874 86 2PX -0.05894 0.02230 0.02892 0.07516 -0.00743 87 2PY -0.28030 -0.22311 0.07158 0.04759 0.26004 88 2PZ 0.31076 -0.14288 -0.04406 -0.24029 -0.02427 89 3S -0.97650 5.02807 0.68578 1.02052 -0.61951 90 3PX -0.11727 0.58162 0.31123 0.10558 0.14323 91 3PY -0.03721 -1.51026 0.19795 0.40677 0.46480 92 3PZ 0.54158 -1.79955 -0.53080 -0.46954 -0.13030 93 4XX 0.27181 -0.60345 -0.01109 -0.11512 0.16666 94 4YY -0.12337 0.52889 -0.12865 -0.21159 -0.48023 95 4ZZ -0.17615 0.09118 0.07279 0.44475 0.32378 96 4XY -0.06323 -0.11785 0.26704 0.07473 -0.30681 97 4XZ -0.01304 -0.27542 -0.31295 -0.26510 0.09528 98 4YZ 0.38480 0.21206 -0.24049 -0.16972 0.00791 99 11 C 1S -0.05412 0.05195 0.02388 0.00077 0.03842 100 2S 0.04574 0.62910 0.08546 -0.04814 0.13411 101 2PX -0.00929 0.04061 0.03462 0.13810 -0.04851 102 2PY -0.15270 -0.03791 0.05990 0.07919 0.04818 103 2PZ 0.18909 -0.17896 -0.15337 -0.29817 0.10052 104 3S 1.38275 -3.38508 -1.14327 -0.30672 -0.96970 105 3PX 0.05253 -0.08686 -0.27434 0.47256 -0.25833 106 3PY -0.60131 1.77725 0.46328 0.09674 0.30524 107 3PZ 0.30084 -0.49036 -0.16050 -0.94187 0.14644 108 4XX -0.18380 0.23227 0.17976 0.30630 -0.17233 109 4YY -0.40604 -0.20137 -0.06960 -0.24839 0.04790 110 4ZZ 0.51738 -0.11920 -0.19352 -0.12373 0.13611 111 4XY 0.06505 0.01229 0.20364 -0.24690 0.02768 112 4XZ -0.49744 0.14841 -0.13587 -0.23654 0.36038 113 4YZ -0.21683 0.23657 0.02128 0.64355 -0.00359 114 12 C 1S 0.02389 -0.03326 0.04118 0.03995 -0.00895 115 2S -0.03242 -0.11057 -0.09431 -0.08823 0.10489 116 2PX 0.09881 -0.07556 -0.02221 0.13932 -0.11309 117 2PY -0.10499 -0.03633 0.20038 -0.05922 0.08075 118 2PZ -0.10330 0.06905 0.00113 -0.13515 0.07844 119 3S -0.42177 1.90165 -0.33827 -0.74412 0.19158 120 3PX 0.21713 -0.22258 -0.09213 0.26656 -0.00238 121 3PY 0.01059 -0.55295 0.58801 -0.23417 0.51677 122 3PZ -0.14156 0.36552 0.32584 -0.26566 0.41876 123 4XX -0.03602 0.00314 0.40771 -0.05018 0.02415 124 4YY -0.03362 0.12029 -0.64048 0.13772 -0.21810 125 4ZZ 0.14028 -0.16691 0.38160 -0.00656 0.12911 126 4XY 0.17688 0.07103 0.09546 0.16362 -0.20600 127 4XZ 0.16108 0.00149 -0.01967 0.31313 -0.22961 128 4YZ -0.12557 -0.05692 -0.16677 -0.19239 0.27274 129 13 C 1S 0.02391 0.03326 -0.04115 0.03998 0.00896 130 2S -0.03246 0.11058 0.09423 -0.08822 -0.10492 131 2PX 0.09885 0.07554 0.02230 0.13929 0.11313 132 2PY 0.10497 -0.03635 0.20044 0.05913 0.08079 133 2PZ -0.10330 -0.06902 -0.00121 -0.13511 -0.07846 134 3S -0.42238 -1.90149 0.33774 -0.74447 -0.19181 135 3PX 0.21710 0.22258 0.09228 0.26657 0.00246 136 3PY -0.01082 -0.55287 0.58820 0.23373 0.51688 137 3PZ -0.14166 -0.36549 -0.32596 -0.26539 -0.41879 138 4XX -0.03601 -0.00317 -0.40777 -0.05000 -0.02416 139 4YY -0.03383 -0.12026 0.64061 0.13726 0.21806 140 4ZZ 0.14054 0.16688 -0.38160 -0.00621 -0.12903 141 4XY -0.17692 0.07109 0.09520 -0.16370 -0.20613 142 4XZ 0.16101 -0.00154 0.01991 0.31305 0.22966 143 4YZ 0.12553 -0.05697 -0.16649 0.19247 0.27285 144 14 C 1S -0.05413 -0.05193 -0.02389 0.00079 -0.03842 145 2S 0.04547 -0.62910 -0.08548 -0.04809 -0.13412 146 2PX -0.00931 -0.04059 -0.03455 0.13813 0.04855 147 2PY 0.15262 -0.03799 0.05985 -0.07919 0.04818 148 2PZ 0.18915 0.17887 0.15325 -0.29827 -0.10059 149 3S 1.38374 3.38446 1.14336 -0.30750 0.96969 150 3PX 0.05247 0.08676 0.27463 0.47240 0.25850 151 3PY 0.60183 1.77688 0.46334 -0.09681 0.30533 152 3PZ 0.30109 0.49053 0.16014 -0.94196 -0.14657 153 4XX -0.18381 -0.23217 -0.17965 0.30639 0.17242 154 4YY -0.40607 0.20138 0.06933 -0.24819 -0.04795 155 4ZZ 0.51745 0.11911 0.19363 -0.12404 -0.13617 156 4XY -0.06500 0.01231 0.20374 0.24688 0.02785 157 4XZ -0.49758 -0.14826 0.13565 -0.23647 -0.36044 158 4YZ 0.21668 0.23647 0.02094 -0.64362 -0.00374 159 15 C 1S 0.03416 0.09823 0.01673 -0.02485 -0.03179 160 2S 0.01181 0.30058 0.03266 0.09100 0.02877 161 2PX -0.05895 -0.02227 -0.02890 0.07518 0.00744 162 2PY 0.28015 -0.22325 0.07161 -0.04763 0.26002 163 2PZ 0.31085 0.14273 0.04403 -0.24034 0.02425 164 3S -0.97813 -5.02758 -0.68538 1.02083 0.61970 165 3PX -0.11741 -0.58148 -0.31120 0.10579 -0.14323 166 3PY 0.03653 -1.51062 0.19763 -0.40687 0.46468 167 3PZ 0.54212 1.79903 0.53064 -0.46993 0.13029 168 4XX 0.27202 0.60336 0.01107 -0.11512 -0.16667 169 4YY -0.12346 -0.52893 0.12858 -0.21179 0.48017 170 4ZZ -0.17628 -0.09103 -0.07261 0.44492 -0.32368 171 4XY 0.06311 -0.11788 0.26696 -0.07476 -0.30684 172 4XZ -0.01304 0.27536 0.31285 -0.26529 -0.09539 173 4YZ -0.38468 0.21213 -0.24043 0.16973 0.00811 174 16 H 1S -0.10220 -0.23667 0.04222 -0.12053 -0.05010 175 2S -0.06370 0.54343 0.05482 0.11276 0.04459 176 17 H 1S 0.21213 0.07816 0.05460 0.12656 -0.00993 177 2S 0.01089 -0.32953 -0.18030 -0.07049 -0.05785 178 18 H 1S -0.06007 -0.00902 -0.10634 -0.05581 0.09907 179 2S 0.05514 -0.06568 0.07645 -0.01119 -0.02803 180 19 H 1S -0.06014 0.00902 0.10628 -0.05584 -0.09909 181 2S 0.05516 0.06568 -0.07644 -0.01118 0.02802 182 20 H 1S 0.21213 -0.07820 -0.05445 0.12659 0.00996 183 2S 0.01098 0.32949 0.18026 -0.07058 0.05787 184 21 H 1S -0.10213 0.23669 -0.04232 -0.12053 0.05007 185 2S -0.06388 -0.54338 -0.05474 0.11280 -0.04457 186 22 H 1S -0.04860 -0.11853 -0.13749 -0.01474 0.01271 187 2S -0.02623 -0.00983 0.01619 0.00723 -0.16678 188 23 H 1S -0.04855 0.11855 0.13747 -0.01479 -0.01271 189 2S -0.02619 0.00984 -0.01619 0.00721 0.16676 171 172 173 174 175 V V V V V Eigenvalues -- 2.75476 2.76759 2.80346 2.88868 2.89675 1 1 C 1S 0.01737 0.02571 0.10054 -0.00375 0.02890 2 2S -0.00444 -0.06332 0.63353 -0.20427 -0.20214 3 2PX 0.02896 0.22953 0.24531 -0.13279 0.32591 4 2PY -0.27664 0.17645 -0.24856 -0.23394 0.09474 5 2PZ 0.02596 -0.18636 -0.01821 0.07564 -0.23185 6 3S -0.62593 -0.64783 -5.69008 0.65315 -0.96147 7 3PX -0.14715 0.23320 0.84048 -0.12310 0.41096 8 3PY -0.65956 0.15166 -2.19801 0.18089 0.30229 9 3PZ 0.16905 -0.24497 -1.97505 0.39365 -0.33838 10 4XX 0.38255 0.02187 0.14743 0.16410 -0.23943 11 4YY -0.60741 -0.04201 -0.44184 -0.44584 0.21202 12 4ZZ 0.10278 0.01674 0.14846 0.30436 -0.04866 13 4XY -0.04846 -0.21669 0.03097 -0.44358 -0.14569 14 4XZ 0.09809 0.22496 0.35904 -0.19043 0.38406 15 4YZ -0.21459 0.23318 -0.20344 0.54162 0.09553 16 2 C 1S -0.01736 0.02571 -0.10055 0.00374 0.02890 17 2S 0.00438 -0.06330 -0.63354 0.20430 -0.20209 18 2PX -0.02890 0.22953 -0.24530 0.13275 0.32593 19 2PY -0.27666 -0.17636 -0.24855 -0.23392 -0.09472 20 2PZ -0.02604 -0.18636 0.01819 -0.07562 -0.23187 21 3S 0.62581 -0.64802 5.69009 -0.65299 -0.96166 22 3PX 0.14727 0.23319 -0.84045 0.12304 0.41100 23 3PY -0.65960 -0.15144 -2.19825 0.18100 -0.30217 24 3PZ -0.16917 -0.24496 1.97492 -0.39359 -0.33849 25 4XX -0.38253 0.02195 -0.14744 -0.16404 -0.23945 26 4YY 0.60746 -0.04210 0.44188 0.44570 0.21208 27 4ZZ -0.10282 0.01672 -0.14848 -0.30428 -0.04872 28 4XY -0.04843 0.21667 0.03096 -0.44365 0.14558 29 4XZ -0.09805 0.22500 -0.35905 0.19032 0.38411 30 4YZ -0.21459 -0.23312 -0.20339 0.54172 -0.09540 31 3 C 1S 0.00000 0.02963 0.00000 0.00001 -0.07565 32 2S -0.00001 -0.04877 0.00004 -0.00002 0.24778 33 2PX 0.00001 -0.10815 0.00001 -0.00003 0.41026 34 2PY -0.32323 0.00004 0.68815 0.28786 0.00005 35 2PZ -0.00002 0.03156 0.00002 0.00002 -0.13361 36 3S 0.00002 -0.80437 -0.00001 -0.00014 2.09088 37 3PX 0.00005 -0.01691 -0.00001 -0.00004 0.48079 38 3PY -0.36162 0.00005 0.41791 0.31164 0.00004 39 3PZ -0.00002 -0.00428 0.00003 0.00002 -0.13875 40 4XX 0.00007 0.49021 -0.00002 0.00000 -0.14634 41 4YY -0.00010 -0.73190 0.00004 -0.00002 0.57310 42 4ZZ 0.00003 0.30945 -0.00002 0.00003 -0.45025 43 4XY -0.37863 0.00008 0.64660 0.27625 0.00001 44 4XZ -0.00004 -0.07892 0.00004 0.00002 -0.03931 45 4YZ 0.21385 -0.00008 -0.24209 0.02142 0.00005 46 4 O 1S 0.01465 -0.04985 -0.04007 -0.02617 0.00109 47 2S 0.26055 -0.36227 -0.94373 0.06565 -0.02144 48 2PX -0.01767 -0.00626 -0.05331 0.03049 -0.04153 49 2PY -0.02370 0.07158 -0.04092 0.03660 0.04496 50 2PZ 0.01769 -0.00743 0.00702 -0.02099 0.02911 51 3S -0.82316 1.47241 3.20315 0.03551 0.05331 52 3PX 0.14453 0.21232 0.49523 -0.33373 1.16828 53 3PY -0.28270 0.22321 1.09311 -0.06621 -0.40317 54 3PZ -0.00206 -0.21683 -0.27001 0.14397 -0.74056 55 4XX 0.04781 0.43931 0.08280 -0.00742 0.12992 56 4YY -0.17865 -0.49109 0.28935 -0.16274 -0.29251 57 4ZZ 0.09558 -0.15913 -0.39869 -0.01204 0.23144 58 4XY 0.21362 -0.17149 -0.17579 -0.45717 0.72874 59 4XZ 0.04512 -0.50869 -0.22182 -0.15604 -0.27760 60 4YZ 0.02072 0.04614 0.02971 0.26814 -0.42508 61 5 H 1S 0.19032 -0.04266 0.15233 -0.32094 0.04701 62 2S -0.17941 0.04743 -0.67141 0.26511 0.01371 63 6 H 1S -0.19033 -0.04262 -0.15234 0.32094 0.04706 64 2S 0.17943 0.04739 0.67146 -0.26514 0.01367 65 7 H 1S -0.00001 -0.09587 0.00000 0.00000 -0.05686 66 2S 0.00002 0.19042 0.00000 0.00001 -0.12892 67 8 O 1S -0.01466 -0.04985 0.04007 0.02617 0.00110 68 2S -0.26059 -0.36219 0.94376 -0.06565 -0.02144 69 2PX 0.01767 -0.00626 0.05331 -0.03048 -0.04153 70 2PY -0.02372 -0.07157 -0.04091 0.03661 -0.04495 71 2PZ -0.01769 -0.00743 -0.00702 0.02099 0.02911 72 3S 0.82337 1.47218 -3.20326 -0.03554 0.05326 73 3PX -0.14445 0.21235 -0.49528 0.33357 1.16833 74 3PY -0.28269 -0.22311 1.09311 -0.06625 0.40328 75 3PZ 0.00195 -0.21685 0.27012 -0.14387 -0.74055 76 4XX -0.04771 0.43931 -0.08280 0.00742 0.12995 77 4YY 0.17852 -0.49111 -0.28938 0.16273 -0.29260 78 4ZZ -0.09559 -0.15911 0.39871 0.01205 0.23152 79 4XY 0.21363 0.17151 -0.17580 -0.45710 -0.72877 80 4XZ -0.04522 -0.50865 0.22182 0.15604 -0.27764 81 4YZ 0.02075 -0.04619 0.02964 0.26811 0.42505 82 9 H 1S -0.00001 -0.06419 0.00000 0.00000 0.01023 83 2S 0.00001 0.18123 -0.00001 0.00001 -0.17268 84 10 C 1S 0.04009 -0.00683 0.00406 0.00283 -0.00578 85 2S 0.23161 -0.07709 0.23602 -0.02884 0.00806 86 2PX -0.01060 0.01544 -0.00218 -0.01023 -0.00755 87 2PY -0.10305 0.04748 -0.00632 -0.06861 0.00454 88 2PZ 0.13175 -0.04098 -0.08863 0.06095 -0.01930 89 3S -2.98603 0.29191 0.54973 -0.35851 0.15302 90 3PX -0.51841 0.01633 0.20617 -0.09567 0.01425 91 3PY 0.56395 0.02844 0.05724 -0.11441 0.07295 92 3PZ 1.49700 -0.16256 -0.28958 0.30982 -0.06303 93 4XX 0.19133 -0.03663 -0.04934 0.01634 -0.01638 94 4YY 0.14190 0.00680 0.04347 0.10195 -0.02369 95 4ZZ -0.31689 0.07778 -0.04157 -0.10144 0.03003 96 4XY 0.17773 0.01885 -0.14247 0.00253 0.00837 97 4XZ 0.08878 -0.00779 0.02212 0.02962 0.00270 98 4YZ -0.04732 -0.05937 0.03041 0.04501 -0.02825 99 11 C 1S -0.06144 -0.00199 0.03632 -0.00856 -0.00697 100 2S -0.71498 -0.02010 0.69354 -0.23844 -0.03856 101 2PX 0.09117 0.01405 -0.01621 -0.00756 0.00012 102 2PY -0.00833 0.02065 -0.09559 0.01192 0.01434 103 2PZ 0.07774 -0.05720 0.03389 0.06631 -0.02089 104 3S 3.71262 -0.05214 -1.82210 0.73240 0.16747 105 3PX 0.30050 0.05139 0.25783 -0.09327 0.08912 106 3PY -1.68698 0.06024 0.93211 -0.35431 -0.08103 107 3PZ 0.04706 -0.21166 -0.13360 0.13939 -0.23519 108 4XX -0.04670 0.05622 -0.13146 0.00856 0.02636 109 4YY 0.18336 -0.01417 -0.00452 0.03837 -0.02700 110 4ZZ 0.07059 -0.06619 -0.01638 0.06539 -0.01398 111 4XY -0.15332 -0.04115 -0.13479 0.04454 -0.03970 112 4XZ -0.37446 0.02764 0.04921 -0.01285 -0.01006 113 4YZ -0.12632 0.08848 0.02991 -0.09298 0.06205 114 12 C 1S 0.04109 0.00380 -0.02652 0.00786 0.00898 115 2S 0.30569 0.06476 -0.18185 0.03292 0.08220 116 2PX 0.09188 -0.00982 -0.04025 0.02267 -0.00198 117 2PY -0.10025 -0.00971 -0.03299 0.01453 -0.02569 118 2PZ -0.12912 -0.00320 0.02936 -0.00378 -0.01685 119 3S -2.31001 -0.15594 1.41874 -0.41480 -0.29712 120 3PX 0.86225 0.11189 -0.16077 -0.05293 0.17926 121 3PY 0.06838 -0.03090 -0.48418 0.12858 -0.02543 122 3PZ -0.59063 -0.04372 0.19850 -0.06226 -0.06542 123 4XX -0.10761 -0.00544 -0.06037 0.00158 -0.02326 124 4YY 0.28584 0.01128 0.13276 -0.03258 0.01677 125 4ZZ -0.18442 -0.03000 -0.05836 0.04678 -0.00441 126 4XY 0.05985 0.02086 -0.00154 -0.00806 0.02345 127 4XZ 0.23448 0.03199 0.01067 -0.03180 0.03962 128 4YZ -0.06913 -0.00250 -0.01763 0.01266 -0.00450 129 13 C 1S -0.04108 0.00381 0.02653 -0.00786 0.00898 130 2S -0.30568 0.06481 0.18184 -0.03294 0.08222 131 2PX -0.09186 -0.00980 0.04025 -0.02266 -0.00198 132 2PY -0.10026 0.00972 -0.03298 0.01452 0.02570 133 2PZ 0.12908 -0.00323 -0.02936 0.00378 -0.01685 134 3S 2.30981 -0.15639 -1.41874 0.41485 -0.29711 135 3PX -0.86219 0.11206 0.16084 0.05287 0.17932 136 3PY 0.06825 0.03090 -0.48415 0.12857 0.02551 137 3PZ 0.59049 -0.04377 -0.19856 0.06229 -0.06537 138 4XX 0.10763 -0.00544 0.06036 -0.00157 -0.02325 139 4YY -0.28578 0.01132 -0.13275 0.03258 0.01678 140 4ZZ 0.18436 -0.03004 0.05837 -0.04678 -0.00443 141 4XY 0.05989 -0.02089 -0.00151 -0.00806 -0.02347 142 4XZ -0.23442 0.03205 -0.01066 0.03179 0.03964 143 4YZ -0.06918 0.00254 -0.01764 0.01266 0.00451 144 14 C 1S 0.06143 -0.00200 -0.03632 0.00856 -0.00697 145 2S 0.71497 -0.02023 -0.69353 0.23845 -0.03853 146 2PX -0.09115 0.01407 0.01622 0.00756 0.00013 147 2PY -0.00833 -0.02063 -0.09560 0.01193 -0.01432 148 2PZ -0.07778 -0.05719 -0.03392 -0.06630 -0.02090 149 3S -3.71252 -0.05140 1.82195 -0.73240 0.16749 150 3PX -0.30035 0.05142 -0.25782 0.09327 0.08914 151 3PY -1.68691 -0.05989 0.93212 -0.35429 0.08104 152 3PZ -0.04755 -0.21165 0.13375 -0.13941 -0.23520 153 4XX 0.04671 0.05622 0.13148 -0.00857 0.02636 154 4YY -0.18334 -0.01409 0.00448 -0.03832 -0.02697 155 4ZZ -0.07062 -0.06623 0.01640 -0.06542 -0.01402 156 4XY -0.15334 0.04118 -0.13477 0.04453 0.03972 157 4XZ 0.37438 0.02755 -0.04925 0.01287 -0.01006 158 4YZ -0.12642 -0.08844 0.02989 -0.09295 -0.06205 159 15 C 1S -0.04009 -0.00682 -0.00406 -0.00282 -0.00578 160 2S -0.23156 -0.07700 -0.23610 0.02885 0.00809 161 2PX 0.01062 0.01544 0.00218 0.01023 -0.00755 162 2PY -0.10302 -0.04746 -0.00634 -0.06860 -0.00454 163 2PZ -0.13180 -0.04098 0.08864 -0.06096 -0.01932 164 3S 2.98612 0.29119 -0.54959 0.35845 0.15299 165 3PX 0.51838 0.01624 -0.20617 0.09566 0.01425 166 3PY 0.56415 -0.02855 0.05717 -0.11434 -0.07295 167 3PZ -1.49693 -0.16223 0.28951 -0.30980 -0.06302 168 4XX -0.19136 -0.03657 0.04935 -0.01634 -0.01638 169 4YY -0.14192 0.00679 -0.04349 -0.10196 -0.02370 170 4ZZ 0.31692 0.07772 0.04160 0.10144 0.03002 171 4XY 0.17773 -0.01890 -0.14247 0.00254 -0.00838 172 4XZ -0.08876 -0.00778 -0.02214 -0.02962 0.00270 173 4YZ -0.04741 0.05938 0.03040 0.04496 0.02825 174 16 H 1S 0.10430 0.00498 -0.00493 0.00118 -0.00085 175 2S -0.36892 0.02762 0.07094 -0.05303 0.00965 176 17 H 1S -0.12091 -0.01521 -0.00920 -0.01746 0.00370 177 2S 0.40319 -0.00158 -0.13134 0.08973 0.03046 178 18 H 1S 0.15924 0.03400 -0.04614 -0.00624 0.03493 179 2S 0.02303 -0.04117 -0.01941 0.03654 -0.02681 180 19 H 1S -0.15922 0.03403 0.04612 0.00623 0.03494 181 2S -0.02309 -0.04113 0.01940 -0.03653 -0.02678 182 20 H 1S 0.12090 -0.01525 0.00923 0.01745 0.00368 183 2S -0.40316 -0.00152 0.13137 -0.08974 0.03045 184 21 H 1S -0.10432 0.00501 0.00493 -0.00118 -0.00085 185 2S 0.36892 0.02754 -0.07093 0.05302 0.00965 186 22 H 1S 0.04773 -0.00819 -0.04933 0.04263 -0.00120 187 2S -0.04722 -0.02369 -0.06046 0.05315 -0.03995 188 23 H 1S -0.04774 -0.00820 0.04934 -0.04263 -0.00122 189 2S 0.04721 -0.02369 0.06045 -0.05313 -0.03996 176 177 178 179 180 V V V V V Eigenvalues -- 2.94340 3.13276 3.13758 4.01188 4.12432 1 1 C 1S 0.00367 -0.05434 0.03780 0.00127 -0.08518 2 2S 0.00777 -0.11723 0.14648 0.15163 0.85895 3 2PX -0.01488 -0.28907 0.27622 0.06702 0.15706 4 2PY -0.01926 -0.18231 0.14679 0.04211 -0.10568 5 2PZ 0.00817 0.16429 -0.12543 0.02321 -0.05909 6 3S -0.26713 2.62508 -2.08939 -0.95631 -2.92255 7 3PX 0.17791 -0.84822 0.76521 0.33908 1.42624 8 3PY -0.16193 0.37614 -0.22295 0.07603 -0.59841 9 3PZ -0.15797 1.38031 -1.23354 -0.43854 -1.69743 10 4XX 0.01334 0.19933 -0.17157 0.01437 -0.47029 11 4YY -0.04303 -0.19536 0.14087 -0.01770 -0.52931 12 4ZZ 0.02466 -0.01161 -0.04004 0.01130 -0.39962 13 4XY -0.08450 0.33237 -0.31362 0.07761 0.00814 14 4XZ -0.00130 -0.36046 0.34534 0.05412 0.15228 15 4YZ 0.10920 -0.27011 0.22162 -0.06952 -0.01167 16 2 C 1S -0.00367 0.05434 -0.03780 0.00128 0.08506 17 2S -0.00777 0.11722 -0.14649 0.15161 -0.85815 18 2PX 0.01488 0.28907 -0.27622 0.06702 -0.15701 19 2PY -0.01926 -0.18229 0.14678 -0.04211 -0.10573 20 2PZ -0.00817 -0.16431 0.12544 0.02321 0.05906 21 3S 0.26709 -2.62506 2.08939 -0.95632 2.92279 22 3PX -0.17790 0.84825 -0.76523 0.33911 -1.42628 23 3PY -0.16198 0.37631 -0.22311 -0.07592 -0.59861 24 3PZ 0.15795 -1.38031 1.23355 -0.43856 1.69737 25 4XX -0.01332 -0.19933 0.17158 0.01439 0.46978 26 4YY 0.04301 0.19542 -0.14092 -0.01770 0.52888 27 4ZZ -0.02464 0.01156 0.04008 0.01133 0.39914 28 4XY -0.08451 0.33233 -0.31358 -0.07762 0.00816 29 4XZ 0.00129 0.36050 -0.34539 0.05412 -0.15226 30 4YZ 0.10921 -0.27009 0.22160 0.06953 -0.01166 31 3 C 1S 0.00000 0.00000 0.00000 -0.12394 0.00001 32 2S 0.00000 -0.00001 0.00000 0.95555 0.00001 33 2PX 0.00000 0.00000 0.00000 -0.16550 -0.00001 34 2PY 0.05138 0.24430 -0.21413 -0.00001 0.05153 35 2PZ 0.00000 0.00001 -0.00001 0.08561 0.00000 36 3S 0.00000 0.00002 -0.00001 -2.06875 -0.00015 37 3PX 0.00000 0.00000 0.00000 -0.78672 -0.00006 38 3PY 0.04746 0.62913 -0.54779 -0.00002 0.38787 39 3PZ 0.00000 0.00001 -0.00001 0.18755 0.00007 40 4XX 0.00000 0.00000 0.00000 -0.59084 0.00001 41 4YY 0.00000 0.00002 -0.00002 -0.37869 0.00001 42 4ZZ 0.00000 -0.00001 0.00001 -0.54382 0.00003 43 4XY 0.03205 0.31441 -0.27700 0.00000 -0.11057 44 4XZ 0.00000 0.00001 -0.00001 0.03178 0.00001 45 4YZ 0.00782 -0.13885 0.12348 0.00001 0.00792 46 4 O 1S -0.00818 -0.00901 0.00163 -0.39387 -0.40274 47 2S -0.02820 0.37938 -0.31926 -0.40224 -0.63400 48 2PX 0.02230 0.01398 -0.00487 -0.04679 -0.04924 49 2PY -0.00406 -0.02352 0.02236 -0.13947 -0.16609 50 2PZ -0.00996 0.01889 -0.01591 0.04422 0.03964 51 3S 0.23018 -1.26437 1.14208 4.81458 5.56259 52 3PX -0.00832 -1.19530 1.04460 0.11561 0.85426 53 3PY 0.05889 -0.01989 0.00982 0.97385 0.87164 54 3PZ -0.01643 0.65584 -0.58360 -0.16600 -0.61626 55 4XX 0.00294 -0.35199 0.29751 -1.26875 -1.15523 56 4YY -0.03988 0.25957 -0.24326 -1.17533 -1.26428 57 4ZZ -0.00587 -0.19255 0.14270 -1.33769 -1.38011 58 4XY -0.03951 -0.36821 0.32380 -0.09145 0.14419 59 4XZ -0.03677 0.33616 -0.30738 -0.08598 -0.24436 60 4YZ 0.02815 0.19812 -0.16602 0.00705 -0.11715 61 5 H 1S -0.08592 0.13716 -0.10026 0.08416 0.01879 62 2S -0.01992 0.20339 -0.21251 -0.07801 -0.50143 63 6 H 1S 0.08593 -0.13716 0.10026 0.08415 -0.01873 64 2S 0.01994 -0.20342 0.21252 -0.07803 0.50135 65 7 H 1S 0.00000 0.00000 0.00000 0.21768 0.00001 66 2S 0.00000 0.00000 0.00000 -0.05422 0.00001 67 8 O 1S 0.00818 0.00901 -0.00163 -0.39386 0.40274 68 2S 0.02820 -0.37938 0.31927 -0.40224 0.63397 69 2PX -0.02230 -0.01398 0.00487 -0.04680 0.04927 70 2PY -0.00407 -0.02352 0.02236 0.13946 -0.16609 71 2PZ 0.00996 -0.01890 0.01591 0.04423 -0.03967 72 3S -0.23016 1.26436 -1.14211 4.81453 -5.56251 73 3PX 0.00832 1.19531 -1.04461 0.11563 -0.85429 74 3PY 0.05890 -0.01979 0.00975 -0.97383 0.87149 75 3PZ 0.01643 -0.65585 0.58362 -0.16608 0.61631 76 4XX -0.00293 0.35201 -0.29753 -1.26874 1.15526 77 4YY 0.03987 -0.25962 0.24332 -1.17531 1.26432 78 4ZZ 0.00588 0.19258 -0.14273 -1.33767 1.38011 79 4XY -0.03952 -0.36817 0.32376 0.09146 0.14415 80 4XZ 0.03677 -0.33620 0.30742 -0.08596 0.24433 81 4YZ 0.02815 0.19807 -0.16598 -0.00703 -0.11713 82 9 H 1S 0.00000 0.00000 0.00000 0.24393 0.00000 83 2S 0.00000 0.00001 -0.00001 0.04117 -0.00001 84 10 C 1S -0.00195 0.03545 0.04250 0.01060 0.02419 85 2S 0.01620 -0.24351 0.02636 -0.10545 -0.29747 86 2PX 0.06399 -0.00055 -0.00423 -0.01506 0.03564 87 2PY 0.40659 0.03704 0.05012 0.00436 -0.02148 88 2PZ -0.24601 0.10813 0.05052 0.02214 -0.05308 89 3S 0.21733 -1.38559 -1.17623 -0.05907 0.98207 90 3PX 0.16131 -0.34375 -0.13389 -0.01882 0.10280 91 3PY 1.38282 0.31124 0.32659 -0.00331 -0.27390 92 3PZ -0.97329 0.63022 0.45370 0.03586 -0.48314 93 4XX 0.00477 0.24462 0.22841 0.06157 0.06772 94 4YY -0.64540 -0.23495 -0.28352 0.04531 0.22444 95 4ZZ 0.62288 0.15399 0.09408 0.01961 0.19092 96 4XY 0.13859 -0.05696 -0.14541 0.01291 0.00193 97 4XZ -0.18796 -0.05260 -0.07171 0.02767 -0.03250 98 4YZ -0.36683 0.47010 0.54591 0.00452 -0.02982 99 11 C 1S 0.00654 -0.05214 -0.02010 0.02128 -0.00046 100 2S -0.09689 -0.35710 0.32856 -0.35008 0.48864 101 2PX 0.12177 0.00973 -0.02298 -0.00071 -0.00822 102 2PY 0.12839 -0.00596 -0.09204 0.01532 -0.00353 103 2PZ -0.31018 0.10856 0.17197 0.01097 -0.03407 104 3S -0.71214 2.19410 0.31341 0.34433 -1.33296 105 3PX 0.58030 0.09657 0.21531 0.02623 0.03073 106 3PY 0.20493 -1.00329 -0.07224 -0.22753 0.79777 107 3PZ -1.32173 -0.06948 0.12062 -0.14610 0.02977 108 4XX 0.20197 0.04300 -0.10824 0.15653 -0.15498 109 4YY -0.06424 -0.29906 -0.37345 0.12155 -0.12546 110 4ZZ -0.21652 0.32915 0.32810 0.15166 -0.17993 111 4XY -0.24068 0.02025 -0.00162 -0.00231 -0.00910 112 4XZ -0.06495 -0.27473 -0.27257 -0.01694 0.08258 113 4YZ 0.56790 0.01048 -0.00978 0.02035 0.01426 114 12 C 1S 0.00079 0.04247 0.01462 -0.00349 0.01397 115 2S -0.02984 0.23155 -0.15362 0.15357 -0.53000 116 2PX 0.07580 0.06200 0.06472 0.01318 0.00692 117 2PY -0.12476 -0.03601 -0.03853 -0.02596 -0.00337 118 2PZ -0.08795 -0.08294 -0.04309 -0.02070 0.05048 119 3S -0.15509 -1.84681 -0.02729 -0.26558 1.18579 120 3PX 0.49732 0.57180 -0.12099 0.15413 -0.62692 121 3PY -0.75718 0.29865 -0.13931 -0.01250 -0.38960 122 3PZ -0.25191 -0.29491 -0.04199 -0.08373 0.13367 123 4XX -0.18935 -0.02243 -0.00562 -0.07038 0.17105 124 4YY 0.36489 -0.03016 -0.00689 -0.03275 0.20806 125 4ZZ -0.18383 0.05645 0.13577 -0.05665 0.18887 126 4XY 0.07605 0.15434 0.18497 0.01805 -0.00117 127 4XZ 0.22097 0.11094 0.06755 0.04178 -0.05872 128 4YZ -0.09468 -0.12340 -0.17091 -0.00162 0.00196 129 13 C 1S -0.00078 -0.04247 -0.01462 -0.00349 -0.01410 130 2S 0.02983 -0.23156 0.15361 0.15362 0.53078 131 2PX -0.07579 -0.06200 -0.06472 0.01318 -0.00693 132 2PY -0.12478 -0.03602 -0.03853 0.02596 -0.00335 133 2PZ 0.08792 0.08292 0.04308 -0.02070 -0.05048 134 3S 0.15505 1.84677 0.02727 -0.26555 -1.18536 135 3PX -0.49726 -0.57183 0.12100 0.15413 0.62700 136 3PY -0.75723 0.29857 -0.13930 0.01250 -0.38956 137 3PZ 0.25181 0.29488 0.04197 -0.08368 -0.13366 138 4XX 0.18938 0.02244 0.00562 -0.07040 -0.17157 139 4YY -0.36484 0.03021 0.00696 -0.03278 -0.20850 140 4ZZ 0.18378 -0.05650 -0.13582 -0.05667 -0.18936 141 4XY 0.07614 0.15435 0.18499 -0.01805 -0.00116 142 4XZ -0.22095 -0.11091 -0.06749 0.04177 0.05873 143 4YZ -0.09475 -0.12339 -0.17089 0.00163 0.00196 144 14 C 1S -0.00654 0.05214 0.02010 0.02127 0.00039 145 2S 0.09690 0.35709 -0.32854 -0.35005 -0.48820 146 2PX -0.12178 -0.00974 0.02298 -0.00070 0.00824 147 2PY 0.12833 -0.00593 -0.09201 -0.01532 -0.00351 148 2PZ 0.31021 -0.10855 -0.17198 0.01098 0.03410 149 3S 0.71208 -2.19398 -0.31339 0.34441 1.33303 150 3PX -0.58032 -0.09653 -0.21529 0.02616 -0.03078 151 3PY 0.20466 -1.00327 -0.07220 0.22756 0.79774 152 3PZ 1.32167 0.06927 -0.12062 -0.14601 -0.02959 153 4XX -0.20197 -0.04304 0.10821 0.15651 0.15475 154 4YY 0.06402 0.29906 0.37344 0.12154 0.12518 155 4ZZ 0.21673 -0.32912 -0.32807 0.15163 0.17973 156 4XY -0.24071 0.02018 -0.00170 0.00231 -0.00906 157 4XZ 0.06488 0.27473 0.27256 -0.01695 -0.08264 158 4YZ 0.56784 0.01062 -0.00960 -0.02035 0.01426 159 15 C 1S 0.00194 -0.03545 -0.04250 0.01059 -0.02431 160 2S -0.01620 0.24356 -0.02641 -0.10533 0.29828 161 2PX -0.06400 0.00055 0.00423 -0.01507 -0.03563 162 2PY 0.40655 0.03708 0.05013 -0.00438 -0.02146 163 2PZ 0.24608 -0.10813 -0.05050 0.02214 0.05307 164 3S -0.21724 1.38552 1.17621 -0.05918 -0.98183 165 3PX -0.16135 0.34373 0.13386 -0.01878 -0.10281 166 3PY 1.38260 0.31134 0.32669 0.00332 -0.27400 167 3PZ 0.97351 -0.63011 -0.45366 0.03591 0.48312 168 4XX -0.00478 -0.24461 -0.22838 0.06152 -0.06818 169 4YY 0.64551 0.23479 0.28336 0.04524 -0.22487 170 4ZZ -0.62298 -0.15386 -0.09392 0.01955 -0.19140 171 4XY 0.13853 -0.05698 -0.14544 -0.01291 0.00192 172 4XZ 0.18799 0.05257 0.07168 0.02767 0.03251 173 4YZ -0.36658 0.47016 0.54597 -0.00452 -0.02982 174 16 H 1S -0.00508 -0.21477 -0.21440 0.00762 -0.02686 175 2S 0.02162 -0.06658 0.00721 -0.00076 0.14035 176 17 H 1S 0.01990 0.12497 0.16482 -0.01641 0.00053 177 2S -0.04839 0.11958 -0.09069 0.10147 -0.20455 178 18 H 1S 0.02204 0.07027 -0.10049 0.03223 -0.12407 179 2S 0.02854 0.04622 0.10962 -0.02982 0.03707 180 19 H 1S -0.02203 -0.07026 0.10050 0.03223 0.12412 181 2S -0.02852 -0.04625 -0.10962 -0.02981 -0.03715 182 20 H 1S -0.01989 -0.12497 -0.16481 -0.01642 -0.00049 183 2S 0.04839 -0.11958 0.09071 0.10146 0.20448 184 21 H 1S 0.00507 0.21477 0.21441 0.00764 0.02692 185 2S -0.02162 0.06656 -0.00720 -0.00077 -0.14046 186 22 H 1S -0.01129 0.01645 -0.00715 0.00452 -0.00952 187 2S -0.03330 -0.02634 0.06464 -0.02361 0.18379 188 23 H 1S 0.01129 -0.01646 0.00715 0.00452 0.00957 189 2S 0.03330 0.02635 -0.06464 -0.02361 -0.18394 181 182 183 184 185 V V V V V Eigenvalues -- 4.12773 4.22312 4.28836 4.36076 4.37991 1 1 C 1S -0.18302 0.10059 0.09061 -0.27579 0.12024 2 2S 1.20764 -0.54863 -0.32816 1.45122 -0.95888 3 2PX 0.05566 -0.00614 -0.00602 0.02185 -0.01401 4 2PY 0.07563 -0.05436 0.01796 0.04594 0.08728 5 2PZ -0.02623 -0.00177 0.03051 -0.09477 0.02036 6 3S 0.35499 -0.35466 -0.20583 1.13142 -0.45546 7 3PX 0.00760 -0.20474 0.06650 0.03540 0.26332 8 3PY -0.02739 0.09968 -0.20188 -0.04240 0.02993 9 3PZ -0.07825 0.15659 -0.12815 0.19996 0.05406 10 4XX -0.75735 0.37141 0.27097 -1.08518 0.58681 11 4YY -0.66481 0.34409 0.26070 -0.94487 0.65250 12 4ZZ -0.73893 0.40181 0.32035 -1.06017 0.53443 13 4XY -0.02145 0.03175 0.01097 -0.03347 0.03562 14 4XZ 0.03286 -0.05196 0.02878 0.05812 -0.01301 15 4YZ -0.00119 -0.01905 0.02273 -0.00514 -0.00503 16 2 C 1S -0.18307 0.10058 0.09060 -0.27584 -0.12012 17 2S 1.20818 -0.54856 -0.32806 1.45166 0.95825 18 2PX 0.05576 -0.00613 -0.00601 0.02187 0.01400 19 2PY -0.07556 0.05436 -0.01796 -0.04589 0.08730 20 2PZ -0.02628 -0.00176 0.03050 -0.09478 -0.02031 21 3S 0.35305 -0.35486 -0.20597 1.13152 0.45485 22 3PX 0.00855 -0.20462 0.06656 0.03533 -0.26331 23 3PY 0.02776 -0.09965 0.20191 0.04242 0.02989 24 3PZ -0.07936 0.15644 -0.12823 0.19987 -0.05418 25 4XX -0.75765 0.37137 0.27091 -1.08545 -0.58633 26 4YY -0.66513 0.34404 0.26064 -0.94516 -0.65208 27 4ZZ -0.73917 0.40177 0.32029 -1.06041 -0.53396 28 4XY 0.02144 -0.03174 -0.01097 0.03347 0.03561 29 4XZ 0.03296 -0.05195 0.02879 0.05813 0.01299 30 4YZ 0.00120 0.01904 -0.02274 0.00515 -0.00504 31 3 C 1S 0.06785 -0.06134 -0.42861 -0.17072 0.00005 32 2S -0.26745 0.31210 2.39257 1.13152 -0.00031 33 2PX -0.01373 -0.00848 -0.14971 -0.07005 0.00002 34 2PY -0.00002 0.00000 -0.00001 0.00000 0.00601 35 2PZ 0.00851 -0.01774 0.07129 0.00906 0.00000 36 3S -0.74299 0.52684 2.26339 0.82200 -0.00030 37 3PX -0.18672 0.12183 0.01978 -0.02606 -0.00002 38 3PY -0.00014 0.00000 0.00000 0.00003 0.17738 39 3PZ 0.13630 0.02832 -0.14153 0.17692 -0.00003 40 4XX 0.20194 -0.22592 -1.67870 -0.75758 0.00021 41 4YY 0.24016 -0.23759 -1.86087 -0.78527 0.00023 42 4ZZ 0.23529 -0.22878 -1.60921 -0.67924 0.00019 43 4XY 0.00004 0.00000 0.00000 -0.00001 -0.03134 44 4XZ 0.03821 -0.01923 0.03403 0.05071 -0.00001 45 4YZ 0.00000 0.00000 -0.00001 0.00000 0.01151 46 4 O 1S -0.03052 0.02757 0.08775 0.05963 -0.09839 47 2S -0.07693 0.07149 -0.03061 0.03475 -0.08398 48 2PX 0.04506 -0.03054 -0.04020 0.03316 -0.03982 49 2PY -0.01092 0.00972 0.06794 0.05892 -0.05579 50 2PZ -0.01365 0.00788 0.01265 -0.02924 0.01996 51 3S 0.52132 -0.50777 -0.92926 -0.87242 1.11731 52 3PX 0.01413 -0.04610 -0.04701 -0.07124 0.00087 53 3PY 0.16982 -0.13670 0.07216 -0.02220 0.12720 54 3PZ -0.07471 0.05806 0.05946 -0.04045 -0.01703 55 4XX -0.04532 0.05027 0.32260 0.29624 -0.36389 56 4YY -0.09460 0.09536 0.51937 0.26068 -0.33379 57 4ZZ -0.06861 0.06965 0.22721 0.23742 -0.36677 58 4XY 0.04601 -0.04976 -0.18210 -0.03610 -0.02548 59 4XZ -0.08214 0.05307 -0.02574 -0.12287 0.04393 60 4YZ -0.04634 0.03489 0.07197 -0.03686 0.02139 61 5 H 1S 0.08550 -0.01538 -0.08032 0.09932 -0.05367 62 2S -0.17871 0.25296 -0.01524 -0.23738 0.12472 63 6 H 1S 0.08551 -0.01538 -0.08031 0.09934 0.05364 64 2S -0.17902 0.25292 -0.01527 -0.23745 -0.12460 65 7 H 1S 0.02020 0.01060 0.05892 0.05652 -0.00001 66 2S 0.08294 -0.03969 -0.53080 -0.14943 0.00004 67 8 O 1S -0.03079 0.02755 0.08773 0.05966 0.09834 68 2S -0.07735 0.07145 -0.03065 0.03477 0.08393 69 2PX 0.04502 -0.03054 -0.04020 0.03317 0.03981 70 2PY 0.01104 -0.00971 -0.06794 -0.05894 -0.05575 71 2PZ -0.01362 0.00788 0.01264 -0.02925 -0.01995 72 3S 0.52503 -0.50744 -0.92900 -0.87276 -1.11658 73 3PX 0.01470 -0.04604 -0.04696 -0.07121 -0.00080 74 3PY -0.17038 0.13664 -0.07221 0.02223 0.12714 75 3PZ -0.07514 0.05802 0.05941 -0.04046 0.01704 76 4XX -0.04609 0.05021 0.32255 0.29638 0.36368 77 4YY -0.09546 0.09530 0.51934 0.26080 0.33357 78 4ZZ -0.06953 0.06958 0.22714 0.23755 0.36659 79 4XY -0.04609 0.04974 0.18209 0.03610 -0.02551 80 4XZ -0.08230 0.05306 -0.02574 -0.12289 -0.04389 81 4YZ 0.04641 -0.03487 -0.07193 0.03688 0.02137 82 9 H 1S 0.00293 -0.00866 0.09799 0.01490 0.00000 83 2S 0.05664 -0.11183 -0.43834 -0.26355 0.00008 84 10 C 1S -0.19031 0.18107 -0.13468 0.18643 -0.20252 85 2S 1.30285 -0.98156 0.76669 -0.99239 1.24516 86 2PX 0.01590 0.02948 0.00633 -0.02437 0.02511 87 2PY -0.05774 0.05012 -0.03795 0.02341 0.15014 88 2PZ -0.00247 -0.11867 0.06639 -0.06851 0.03162 89 3S 0.42744 -0.86348 0.39941 -0.65991 0.31032 90 3PX -0.04825 -0.03737 -0.01642 0.04630 -0.23237 91 3PY 0.06493 -0.04973 -0.01282 0.00366 -0.07484 92 3PZ 0.06499 0.23157 -0.07155 0.11540 0.35727 93 4XX -0.74224 0.69641 -0.51565 0.70845 -0.78050 94 4YY -0.70195 0.61150 -0.47300 0.63285 -0.97481 95 4ZZ -0.76250 0.75277 -0.54280 0.71398 -0.76638 96 4XY 0.00398 0.02521 0.00237 -0.01240 0.02200 97 4XZ 0.01013 -0.01210 0.02129 -0.03392 -0.00279 98 4YZ 0.00258 -0.04906 0.01558 0.00419 0.01321 99 11 C 1S -0.10302 -0.11082 0.00689 0.03330 -0.19975 100 2S 0.63248 0.56281 -0.06315 -0.05343 0.75256 101 2PX 0.02045 0.05660 0.00893 0.00106 0.02358 102 2PY -0.04703 0.03490 -0.02492 0.01997 0.05243 103 2PZ 0.05371 -0.12199 0.04170 -0.05462 0.08301 104 3S 0.21580 0.58945 -0.18190 -0.07738 1.41536 105 3PX 0.02618 -0.18220 -0.07266 0.08901 0.07497 106 3PY -0.01295 -0.05877 -0.00194 0.01310 -0.65990 107 3PZ -0.05900 0.21455 0.05952 0.09843 0.04524 108 4XX -0.35812 -0.33475 0.04019 0.04420 -0.69436 109 4YY -0.40608 -0.44932 0.03327 0.11980 -0.64337 110 4ZZ -0.28603 -0.45916 0.10193 0.00857 -0.55279 111 4XY -0.03071 -0.04267 0.02454 -0.02967 -0.02057 112 4XZ -0.07310 -0.01761 -0.01909 -0.00588 -0.10663 113 4YZ -0.00649 0.11337 -0.04781 0.03082 -0.03357 114 12 C 1S -0.16668 -0.27396 -0.01262 0.03682 -0.14555 115 2S 1.05887 1.43483 0.08083 -0.21176 0.92168 116 2PX -0.00379 0.02895 0.00404 -0.03258 0.03211 117 2PY -0.02773 -0.00366 -0.00605 0.00004 0.04600 118 2PZ -0.00013 -0.01929 0.01523 -0.02700 -0.00130 119 3S 0.45140 1.16028 0.14635 -0.11264 0.17962 120 3PX 0.08689 -0.06496 -0.03718 0.07536 0.10579 121 3PY 0.03839 0.08212 0.05335 -0.01176 0.05405 122 3PZ -0.04842 0.02894 -0.03542 0.11935 -0.31033 123 4XX -0.67065 -1.04072 -0.04533 0.13855 -0.58039 124 4YY -0.57894 -0.90588 -0.04692 0.13116 -0.66275 125 4ZZ -0.66519 -1.02840 -0.05447 0.14413 -0.54409 126 4XY -0.00558 -0.02545 -0.00111 0.01230 -0.02345 127 4XZ -0.00025 -0.03210 0.01159 -0.01207 -0.02703 128 4YZ 0.00894 0.00801 0.00244 -0.00568 0.03006 129 13 C 1S -0.16667 -0.27396 -0.01261 0.03689 0.14553 130 2S 1.05850 1.43481 0.08080 -0.21232 -0.92158 131 2PX -0.00378 0.02895 0.00404 -0.03260 -0.03209 132 2PY 0.02774 0.00366 0.00605 -0.00002 0.04600 133 2PZ -0.00009 -0.01928 0.01523 -0.02700 0.00132 134 3S 0.45220 1.16033 0.14636 -0.11262 -0.17960 135 3PX 0.08647 -0.06495 -0.03723 0.07523 -0.10587 136 3PY -0.03811 -0.08211 -0.05336 0.01187 0.05400 137 3PZ -0.04834 0.02896 -0.03546 0.11953 0.31025 138 4XX -0.67052 -1.04071 -0.04532 0.13888 0.58033 139 4YY -0.57878 -0.90587 -0.04689 0.13153 0.66268 140 4ZZ -0.66506 -1.02840 -0.05445 0.14445 0.54404 141 4XY 0.00557 0.02544 0.00111 -0.01231 -0.02346 142 4XZ -0.00028 -0.03211 0.01159 -0.01207 0.02703 143 4YZ -0.00893 -0.00800 -0.00244 0.00569 0.03007 144 14 C 1S -0.10301 -0.11084 0.00691 0.03337 0.19973 145 2S 0.63271 0.56293 -0.06319 -0.05365 -0.75255 146 2PX 0.02044 0.05660 0.00892 0.00105 -0.02358 147 2PY 0.04703 -0.03488 0.02491 -0.01994 0.05244 148 2PZ 0.05369 -0.12199 0.04169 -0.05466 -0.08298 149 3S 0.21483 0.58946 -0.18207 -0.07805 -1.41527 150 3PX 0.02620 -0.18219 -0.07263 0.08898 -0.07498 151 3PY 0.01240 0.05871 0.00188 -0.01349 -0.65988 152 3PZ -0.05897 0.21454 0.05953 0.09839 -0.04542 153 4XX -0.35816 -0.33483 0.04024 0.04443 0.69435 154 4YY -0.40611 -0.44936 0.03330 0.12003 0.64333 155 4ZZ -0.28610 -0.45928 0.10198 0.00873 0.55277 156 4XY 0.03074 0.04268 -0.02453 0.02965 -0.02060 157 4XZ -0.07303 -0.01760 -0.01909 -0.00582 0.10663 158 4YZ 0.00645 -0.11336 0.04779 -0.03081 -0.03354 159 15 C 1S -0.19028 0.18106 -0.13465 0.18651 0.20246 160 2S 1.30256 -0.98153 0.76648 -0.99291 -1.24490 161 2PX 0.01592 0.02948 0.00633 -0.02437 -0.02510 162 2PY 0.05777 -0.05010 0.03796 -0.02334 0.15015 163 2PZ -0.00250 -0.11868 0.06639 -0.06853 -0.03157 164 3S 0.42813 -0.86341 0.39938 -0.65985 -0.31013 165 3PX -0.04815 -0.03737 -0.01642 0.04640 0.23234 166 3PY -0.06472 0.04969 0.01281 -0.00366 -0.07476 167 3PZ 0.06461 0.23155 -0.07160 0.11520 -0.35732 168 4XX -0.74215 0.69638 -0.51554 0.70875 0.78030 169 4YY -0.70173 0.61146 -0.47284 0.63325 0.97463 170 4ZZ -0.76233 0.75277 -0.54268 0.71430 0.76619 171 4XY -0.00399 -0.02520 -0.00237 0.01241 0.02199 172 4XZ 0.01011 -0.01211 0.02128 -0.03392 0.00281 173 4YZ -0.00255 0.04903 -0.01555 -0.00420 0.01325 174 16 H 1S 0.07593 -0.05786 0.06029 -0.08989 0.04491 175 2S -0.19387 0.08324 -0.09693 0.16676 -0.26638 176 17 H 1S 0.05966 0.04748 0.00785 -0.02033 0.08244 177 2S -0.08694 -0.12400 0.01697 0.03340 0.05226 178 18 H 1S 0.06644 0.07178 -0.00419 0.00009 0.02483 179 2S -0.15157 -0.27591 -0.06143 0.13365 -0.20286 180 19 H 1S 0.06635 0.07179 -0.00420 0.00006 -0.02482 181 2S -0.15155 -0.27589 -0.06143 0.13377 0.20279 182 20 H 1S 0.05965 0.04749 0.00785 -0.02036 -0.08244 183 2S -0.08707 -0.12402 0.01698 0.03334 -0.05227 184 21 H 1S 0.07592 -0.05786 0.06027 -0.08991 -0.04488 185 2S -0.19374 0.08324 -0.09690 0.16688 0.26632 186 22 H 1S 0.06814 0.08769 -0.00115 -0.02106 0.08580 187 2S -0.19230 -0.25763 0.00877 -0.04892 -0.15906 188 23 H 1S 0.06814 0.08769 -0.00114 -0.02111 -0.08579 189 2S -0.19218 -0.25764 0.00879 -0.04882 0.15910 186 187 188 189 V V V V Eigenvalues -- 4.44863 4.50900 4.60326 4.87096 1 1 C 1S 0.03357 -0.04657 0.31063 -0.18579 2 2S 0.05316 0.23162 -1.25874 0.07125 3 2PX 0.01410 -0.00469 0.00585 -0.07540 4 2PY 0.01684 -0.02112 0.14750 -0.04652 5 2PZ 0.00967 0.02965 0.10664 -0.04508 6 3S -0.59256 0.11331 -3.68964 4.80632 7 3PX 0.01170 0.53476 0.13458 -0.43913 8 3PY 0.09405 -0.21267 -0.93525 1.07433 9 3PZ -0.24081 -0.51664 -0.73567 1.72963 10 4XX 0.03744 -0.17790 1.10342 -0.39261 11 4YY 0.07343 -0.23342 1.31693 -0.58795 12 4ZZ 0.07166 -0.17556 1.09343 -0.47053 13 4XY 0.02966 -0.01088 -0.00411 0.00300 14 4XZ -0.01269 0.05355 -0.02105 -0.01954 15 4YZ 0.01694 0.02536 -0.05677 0.02249 16 2 C 1S 0.03356 0.04658 -0.31065 0.18579 17 2S 0.05324 -0.23168 1.25878 -0.07123 18 2PX 0.01410 0.00469 -0.00586 0.07540 19 2PY -0.01683 -0.02110 0.14752 -0.04652 20 2PZ 0.00966 -0.02965 -0.10663 0.04507 21 3S -0.59236 -0.11336 3.68974 -4.80625 22 3PX 0.01169 -0.53478 -0.13455 0.43917 23 3PY -0.09404 -0.21275 -0.93534 1.07455 24 3PZ -0.24076 0.51665 0.73563 -1.72959 25 4XX 0.03738 0.17795 -1.10346 0.39260 26 4YY 0.07335 0.23346 -1.31696 0.58794 27 4ZZ 0.07159 0.17562 -1.09348 0.47050 28 4XY -0.02966 -0.01088 -0.00411 0.00300 29 4XZ -0.01269 -0.05355 0.02105 0.01954 30 4YZ -0.01694 0.02537 -0.05679 0.02250 31 3 C 1S -0.04516 0.00000 0.00000 -0.00001 32 2S 0.21437 0.00001 0.00001 0.00001 33 2PX -0.05543 0.00000 0.00000 0.00000 34 2PY 0.00000 0.00104 0.02510 -0.05383 35 2PZ 0.00666 0.00000 0.00000 0.00000 36 3S -0.03204 0.00006 0.00004 0.00007 37 3PX -0.02945 0.00002 0.00001 0.00002 38 3PY 0.00000 -0.06127 0.10478 -0.04681 39 3PZ 0.10202 0.00000 0.00002 -0.00002 40 4XX -0.18207 -0.00001 0.00000 -0.00002 41 4YY -0.15448 -0.00001 -0.00001 -0.00002 42 4ZZ -0.17175 -0.00001 0.00000 -0.00002 43 4XY 0.00000 -0.00814 -0.02061 0.02147 44 4XZ -0.00265 0.00000 0.00000 0.00000 45 4YZ 0.00000 -0.01137 -0.00286 -0.00295 46 4 O 1S -0.05013 0.00619 -0.07060 0.14314 47 2S -0.11588 -0.04398 -0.10894 0.38786 48 2PX -0.01284 0.02067 -0.03438 0.04986 49 2PY -0.01933 0.01533 -0.04153 0.05879 50 2PZ 0.01893 0.00465 0.03697 -0.02492 51 3S 0.80741 0.22423 1.35900 -2.85336 52 3PX 0.10598 0.10666 0.14817 -0.66253 53 3PY 0.15816 0.03382 0.16455 -0.41691 54 3PZ -0.09109 -0.11111 -0.05956 0.29677 55 4XX -0.14929 0.06136 -0.26267 0.37546 56 4YY -0.12360 0.02455 -0.25064 0.46336 57 4ZZ -0.18357 0.04020 -0.27992 0.50518 58 4XY -0.01555 0.02517 -0.05488 -0.03118 59 4XZ -0.01551 -0.02930 0.11928 0.01065 60 4YZ 0.00834 -0.02746 0.03855 0.01413 61 5 H 1S 0.02198 -0.08371 -0.05170 -0.00399 62 2S -0.00228 -0.33544 0.08726 0.23158 63 6 H 1S 0.02198 0.08371 0.05170 0.00398 64 2S -0.00229 0.33550 -0.08727 -0.23163 65 7 H 1S 0.04391 0.00000 0.00000 0.00000 66 2S -0.00086 0.00000 0.00000 -0.00001 67 8 O 1S -0.05012 -0.00618 0.07062 -0.14314 68 2S -0.11587 0.04400 0.10897 -0.38787 69 2PX -0.01284 -0.02067 0.03438 -0.04986 70 2PY 0.01933 0.01532 -0.04153 0.05878 71 2PZ 0.01893 -0.00464 -0.03698 0.02492 72 3S 0.80725 -0.22438 -1.35921 2.85335 73 3PX 0.10596 -0.10666 -0.14820 0.66255 74 3PY -0.15813 0.03384 0.16458 -0.41688 75 3PZ -0.09109 0.11111 0.05958 -0.29683 76 4XX -0.14925 -0.06134 0.26272 -0.37545 77 4YY -0.12357 -0.02451 0.25067 -0.46336 78 4ZZ -0.18353 -0.04017 0.27997 -0.50518 79 4XY 0.01555 0.02517 -0.05487 -0.03118 80 4XZ -0.01551 0.02931 -0.11929 -0.01066 81 4YZ -0.00834 -0.02746 0.03854 0.01413 82 9 H 1S 0.01820 0.00000 0.00000 0.00000 83 2S -0.07049 -0.00001 -0.00001 0.00000 84 10 C 1S 0.01482 0.22772 0.18751 0.02367 85 2S -0.07476 -1.10174 -0.87600 -0.19540 86 2PX 0.03170 0.02201 0.00767 0.03082 87 2PY 0.08350 -0.08455 -0.07765 0.04055 88 2PZ -0.11330 -0.12292 -0.10412 -0.02171 89 3S -0.55748 -2.39776 -1.65069 -2.53702 90 3PX -0.04402 -0.12171 -0.00213 -0.46819 91 3PY -0.08338 0.40537 0.52390 0.14018 92 3PZ 0.18044 0.68155 0.22435 1.21928 93 4XX 0.06736 0.82484 0.66253 0.08849 94 4YY 0.09244 1.03230 0.86142 0.19247 95 4ZZ 0.16980 0.87003 0.71315 0.20352 96 4XY 0.02654 0.03947 -0.02522 0.04575 97 4XZ -0.03534 -0.02943 -0.03318 -0.02865 98 4YZ -0.13442 -0.09297 -0.08394 -0.13414 99 11 C 1S -0.32494 -0.08605 -0.02299 -0.39277 100 2S 1.72560 0.30497 0.55045 0.87376 101 2PX 0.00028 0.02471 0.00171 0.04533 102 2PY 0.10205 0.06427 0.03232 0.21924 103 2PZ -0.01357 -0.08249 -0.04366 -0.00575 104 3S 2.16772 0.90217 0.12136 5.51948 105 3PX -0.01950 -0.15428 0.31108 -0.05238 106 3PY -0.23905 -0.30459 -0.00222 -2.02340 107 3PZ -0.10248 0.27106 -0.03779 0.03681 108 4XX -1.23480 -0.21707 -0.24283 -1.19478 109 4YY -1.24400 -0.31253 -0.19375 -1.21158 110 4ZZ -1.34426 -0.40309 -0.32816 -1.30170 111 4XY 0.03539 -0.04848 -0.05222 0.04595 112 4XZ 0.10948 -0.03196 0.03954 0.05687 113 4YZ 0.01721 0.10897 0.02982 0.00121 114 12 C 1S 0.15487 -0.29140 0.11660 0.17101 115 2S -0.79103 1.32782 -0.58131 -0.43144 116 2PX -0.05394 0.05424 -0.04243 0.02026 117 2PY 0.02485 0.05014 -0.01611 0.00946 118 2PZ 0.05703 -0.03210 0.00605 0.00108 119 3S -1.21243 2.29874 -1.01382 -3.92822 120 3PX 0.17615 -0.15608 0.15130 0.65368 121 3PY -0.10619 -0.32363 0.04781 0.64197 122 3PZ -0.15412 -0.00267 0.05635 -0.74950 123 4XX 0.63453 -1.02470 0.43300 0.51976 124 4YY 0.53337 -1.17943 0.50575 0.59557 125 4ZZ 0.65530 -1.01248 0.42346 0.54989 126 4XY -0.08111 0.00042 -0.03830 -0.09695 127 4XZ -0.08051 -0.02238 -0.03038 -0.06910 128 4YZ 0.07655 -0.02105 -0.00168 0.09883 129 13 C 1S 0.15489 0.29138 -0.11662 -0.17101 130 2S -0.79112 -1.32773 0.58138 0.43145 131 2PX -0.05394 -0.05424 0.04243 -0.02025 132 2PY -0.02486 0.05013 -0.01610 0.00945 133 2PZ 0.05703 0.03211 -0.00605 -0.00107 134 3S -1.21260 -2.29856 1.01392 3.92815 135 3PX 0.17615 0.15604 -0.15130 -0.65379 136 3PY 0.10619 -0.32362 0.04777 0.64184 137 3PZ -0.15412 0.00263 -0.05636 0.74951 138 4XX 0.63461 1.02462 -0.43305 -0.51975 139 4YY 0.53348 1.17937 -0.50580 -0.59561 140 4ZZ 0.65533 1.01240 -0.42352 -0.54987 141 4XY 0.08114 0.00040 -0.03830 -0.09696 142 4XZ -0.08049 0.02239 0.03038 0.06908 143 4YZ -0.07657 -0.02102 -0.00168 0.09881 144 14 C 1S -0.32494 0.08608 0.02301 0.39277 145 2S 1.72554 -0.30512 -0.55056 -0.87375 146 2PX 0.00028 -0.02471 -0.00171 -0.04533 147 2PY -0.10204 0.06427 0.03231 0.21923 148 2PZ -0.01358 0.08251 0.04366 0.00579 149 3S 2.16774 -0.90247 -0.12159 -5.51933 150 3PX -0.01952 0.15429 -0.31105 0.05247 151 3PY 0.23906 -0.30461 -0.00218 -2.02337 152 3PZ -0.10243 -0.27112 0.03781 -0.03724 153 4XX -1.23477 0.21718 0.24292 1.19475 154 4YY -1.24397 0.31260 0.19382 1.21158 155 4ZZ -1.34421 0.40326 0.32826 1.30166 156 4XY -0.03542 -0.04849 -0.05221 0.04597 157 4XZ 0.10947 0.03194 -0.03956 -0.05686 158 4YZ -0.01717 0.10896 0.02980 0.00118 159 15 C 1S 0.01478 -0.22774 -0.18752 -0.02363 160 2S -0.07458 1.10181 0.87604 0.19530 161 2PX 0.03170 -0.02201 -0.00767 -0.03081 162 2PY -0.08350 -0.08457 -0.07766 0.04056 163 2PZ -0.11330 0.12292 0.10412 0.02169 164 3S -0.55723 2.39793 1.65080 2.53685 165 3PX -0.04401 0.12172 0.00209 0.46816 166 3PY 0.08342 0.40550 0.52391 0.14037 167 3PZ 0.18042 -0.68157 -0.22428 -1.21916 168 4XX 0.06724 -0.82491 -0.66258 -0.08838 169 4YY 0.09223 -1.03233 -0.86143 -0.19233 170 4ZZ 0.16970 -0.87014 -0.71322 -0.20345 171 4XY -0.02653 0.03947 -0.02521 0.04576 172 4XZ -0.03535 0.02944 0.03320 0.02865 173 4YZ 0.13438 -0.09301 -0.08397 -0.13414 174 16 H 1S 0.02602 -0.05784 -0.05290 -0.00955 175 2S 0.00586 0.03005 0.10345 -0.20095 176 17 H 1S 0.06098 0.02978 0.02734 0.05775 177 2S -0.29864 -0.01812 -0.01169 0.08155 178 18 H 1S -0.01555 -0.01870 0.01554 0.11008 179 2S 0.16934 -0.32373 0.21106 0.09261 180 19 H 1S -0.01554 0.01869 -0.01554 -0.11007 181 2S 0.16934 0.32367 -0.21109 -0.09263 182 20 H 1S 0.06098 -0.02979 -0.02732 -0.05777 183 2S -0.29864 0.01813 0.01175 -0.08156 184 21 H 1S 0.02603 0.05785 0.05290 0.00953 185 2S 0.00584 -0.03004 -0.10347 0.20094 186 22 H 1S -0.00550 0.02202 -0.00317 0.13585 187 2S 0.14798 -0.27659 0.04653 0.15716 188 23 H 1S -0.00550 -0.02201 0.00317 -0.13586 189 2S 0.14802 0.27659 -0.04655 -0.15714 Density Matrix: 1 2 3 4 5 1 1 C 1S 2.05261 2 2S -0.06334 0.33256 3 2PX -0.01176 0.01998 0.35371 4 2PY -0.00634 0.01501 -0.03631 0.42804 5 2PZ 0.01404 -0.02170 0.01905 0.02886 0.37250 6 3S -0.17198 0.27273 0.08760 -0.01080 -0.02659 7 3PX -0.02120 0.04292 0.18177 -0.03495 0.08694 8 3PY -0.00657 0.00325 -0.04956 0.11867 -0.01996 9 3PZ 0.00674 -0.02185 0.07208 -0.00935 0.15202 10 4XX -0.01239 -0.01159 -0.01053 -0.00768 0.01099 11 4YY -0.01714 -0.00125 0.00616 0.01253 -0.00529 12 4ZZ -0.01510 -0.00556 0.00141 -0.01278 -0.00455 13 4XY 0.00069 -0.00120 -0.00172 -0.00375 0.01206 14 4XZ 0.00382 -0.00899 0.00965 0.01029 -0.00675 15 4YZ -0.00389 0.00798 0.01323 -0.00743 -0.00864 16 2 C 1S 0.01932 -0.04074 -0.01093 -0.08149 -0.00946 17 2S -0.04074 0.07597 0.02249 0.16744 0.01924 18 2PX -0.01094 0.02249 0.16290 -0.01403 0.10689 19 2PY 0.08149 -0.16744 0.01403 -0.32253 0.03100 20 2PZ -0.00945 0.01923 0.10689 -0.03104 0.12972 21 3S 0.00367 0.02478 0.04729 0.13773 0.06414 22 3PX -0.00177 0.00269 0.10791 -0.01351 0.06752 23 3PY 0.00213 -0.01919 0.01647 -0.09538 0.01933 24 3PZ -0.00504 0.01675 0.06605 -0.03742 0.08653 25 4XX 0.00306 -0.00698 0.00153 -0.01249 0.00060 26 4YY -0.00652 0.01196 -0.00050 0.00768 0.00132 27 4ZZ 0.00376 -0.00871 -0.00354 -0.01074 -0.00492 28 4XY 0.00011 -0.00072 -0.01305 0.00508 -0.00442 29 4XZ -0.00126 0.00299 -0.00134 0.00510 -0.00098 30 4YZ -0.00094 0.00176 -0.00411 -0.00039 -0.01358 31 3 C 1S -0.00314 0.00638 -0.01152 0.00990 0.00088 32 2S 0.00673 -0.01754 0.03150 -0.03286 0.00092 33 2PX 0.01268 -0.03068 0.02354 -0.02099 -0.02323 34 2PY -0.00315 0.00785 -0.03052 -0.02359 0.03727 35 2PZ -0.00739 0.01915 -0.02701 0.00821 -0.00102 36 3S 0.01015 -0.01295 0.04935 -0.04941 -0.00081 37 3PX 0.01056 -0.01965 -0.00272 -0.01597 -0.03444 38 3PY -0.00295 0.00740 -0.03169 -0.00310 0.02777 39 3PZ -0.00561 0.00942 -0.01389 0.00428 -0.00634 40 4XX -0.00080 0.00210 -0.00733 -0.00190 0.00471 41 4YY 0.00216 -0.00472 0.00926 0.00494 -0.00647 42 4ZZ -0.00173 0.00371 -0.00745 -0.00112 0.00216 43 4XY 0.00068 -0.00166 0.00086 -0.00201 -0.00227 44 4XZ 0.00080 -0.00197 0.00588 -0.00055 -0.00268 45 4YZ -0.00033 0.00055 -0.00624 0.00076 -0.00037 46 4 O 1S 0.00575 -0.00817 0.02660 0.00953 -0.02436 47 2S -0.01014 0.01261 -0.06256 -0.03256 0.05495 48 2PX -0.05526 0.11975 -0.16220 -0.10595 0.18093 49 2PY -0.02650 0.05514 -0.08201 -0.03447 0.07954 50 2PZ 0.03854 -0.07484 0.18835 0.07734 -0.08634 51 3S 0.00859 -0.01458 -0.03693 0.02899 0.05864 52 3PX -0.02442 0.05739 -0.09467 -0.05563 0.08461 53 3PY -0.02158 0.04412 -0.05066 -0.03050 0.06484 54 3PZ 0.01944 -0.03656 0.09279 0.04358 -0.06402 55 4XX -0.00264 0.00397 0.00732 -0.00643 0.00497 56 4YY -0.00114 0.00121 -0.00361 -0.00068 0.00434 57 4ZZ -0.00133 0.00154 -0.00646 -0.00547 -0.00851 58 4XY -0.00424 0.00849 -0.00830 0.00376 0.00942 59 4XZ 0.00528 -0.00877 0.00426 0.00366 -0.00103 60 4YZ 0.00346 -0.00613 0.01220 -0.00314 -0.00307 61 5 H 1S -0.06712 0.13219 0.07497 -0.16956 -0.18398 62 2S -0.01673 0.03913 0.03835 -0.14223 -0.16122 63 6 H 1S 0.01685 -0.03778 -0.01256 -0.04264 -0.00218 64 2S 0.02111 -0.04292 -0.02474 -0.07153 0.00607 65 7 H 1S -0.00128 0.00252 -0.00527 -0.00494 0.00591 66 2S 0.00094 -0.00187 -0.03559 0.00678 -0.02527 67 8 O 1S -0.00167 0.00506 -0.00606 0.00187 0.00720 68 2S 0.00707 -0.01595 0.01455 -0.01745 -0.01528 69 2PX 0.00948 -0.02371 -0.05406 -0.04110 -0.03138 70 2PY -0.02371 0.05641 -0.02195 0.05732 0.01760 71 2PZ 0.00043 -0.00376 -0.05069 0.04293 -0.05474 72 3S -0.00449 -0.00280 0.04408 0.02610 -0.04176 73 3PX 0.00713 -0.01771 -0.04782 -0.02586 -0.03641 74 3PY -0.01439 0.03754 -0.02403 0.04144 0.00843 75 3PZ 0.00259 -0.00728 -0.05535 0.03221 -0.04924 76 4XX 0.00035 -0.00011 0.00296 -0.00359 0.00422 77 4YY 0.00145 -0.00240 0.00041 -0.00269 0.00110 78 4ZZ 0.00100 -0.00105 -0.00402 -0.00273 -0.00165 79 4XY 0.00095 -0.00216 0.00302 -0.00611 0.00029 80 4XZ 0.00014 -0.00039 0.00122 -0.00119 -0.00038 81 4YZ -0.00075 0.00153 -0.00079 0.00423 -0.00014 82 9 H 1S -0.00640 0.01540 -0.02376 -0.00702 0.01456 83 2S -0.00610 0.01493 -0.04141 0.00541 0.01429 84 10 C 1S -0.00081 0.00108 0.00283 0.00030 0.00256 85 2S 0.00203 -0.00181 -0.00628 -0.00018 -0.00486 86 2PX -0.00961 0.02495 0.07962 -0.00869 0.07392 87 2PY -0.00215 0.00412 0.01586 -0.00476 0.01329 88 2PZ -0.00592 0.01178 0.04182 -0.00047 0.03685 89 3S 0.00054 0.00015 -0.01600 -0.01387 -0.01086 90 3PX -0.00684 0.01759 0.06940 -0.01267 0.06698 91 3PY 0.00000 0.00211 0.02336 -0.00347 0.02405 92 3PZ -0.00510 0.00932 0.04611 -0.00077 0.03744 93 4XX -0.00013 0.00020 0.00029 0.00023 0.00057 94 4YY -0.00010 0.00011 -0.00035 0.00051 -0.00016 95 4ZZ 0.00004 -0.00016 0.00074 -0.00118 0.00058 96 4XY 0.00000 -0.00028 -0.00042 0.00071 0.00046 97 4XZ -0.00007 0.00010 0.00113 -0.00026 0.00087 98 4YZ -0.00005 -0.00032 0.00001 0.00007 0.00003 99 11 C 1S -0.00087 0.00284 0.00614 0.00131 0.00598 100 2S 0.00340 -0.00361 -0.01795 -0.00281 -0.01530 101 2PX -0.00345 0.00871 0.00239 0.01762 0.01206 102 2PY -0.00462 0.00685 0.00664 0.01472 0.00694 103 2PZ -0.00223 0.00600 0.00500 0.00876 0.00835 104 3S -0.00191 -0.00263 0.00497 -0.00301 -0.00919 105 3PX -0.00291 0.00729 0.01484 0.01430 0.02574 106 3PY 0.00119 0.00026 -0.01266 -0.00282 -0.00904 107 3PZ -0.00259 0.00498 -0.00067 0.01855 -0.00178 108 4XX 0.00024 -0.00030 0.00127 -0.00119 0.00139 109 4YY -0.00007 0.00036 -0.00064 0.00103 -0.00063 110 4ZZ 0.00001 0.00038 0.00194 -0.00083 0.00185 111 4XY -0.00027 0.00025 0.00122 0.00074 0.00073 112 4XZ -0.00049 0.00107 0.00619 -0.00141 0.00555 113 4YZ -0.00025 0.00040 0.00130 0.00016 0.00105 114 12 C 1S -0.00111 0.00181 0.00869 -0.00054 0.00636 115 2S 0.00217 -0.00414 -0.01777 0.00136 -0.01399 116 2PX -0.00250 0.00432 0.02088 0.00079 0.01474 117 2PY -0.00146 0.00201 0.00592 0.00077 0.00442 118 2PZ 0.00247 -0.00326 -0.01049 -0.00034 -0.01052 119 3S 0.00506 -0.00646 -0.06640 0.01066 -0.04807 120 3PX -0.00016 -0.00019 0.00533 0.00063 -0.00111 121 3PY -0.00059 -0.00054 -0.00025 0.00521 -0.00525 122 3PZ 0.00228 -0.00320 -0.01256 -0.00323 -0.01129 123 4XX -0.00015 0.00025 0.00239 -0.00105 0.00074 124 4YY 0.00001 -0.00008 -0.00133 0.00075 -0.00048 125 4ZZ -0.00016 0.00035 -0.00044 0.00031 -0.00004 126 4XY -0.00002 -0.00012 0.00015 0.00039 0.00053 127 4XZ -0.00023 0.00039 0.00156 0.00014 0.00103 128 4YZ 0.00005 -0.00009 -0.00041 0.00071 -0.00021 129 13 C 1S -0.00252 0.00480 0.00742 -0.00329 0.00118 130 2S 0.00388 -0.00790 -0.02077 0.00691 -0.00214 131 2PX -0.00833 0.01838 0.02875 -0.01257 0.00753 132 2PY -0.00134 0.00288 0.00193 -0.00483 -0.00437 133 2PZ -0.00374 0.00642 0.00451 -0.00858 -0.00897 134 3S 0.01272 -0.02730 -0.02701 0.02355 -0.01480 135 3PX -0.00698 0.01248 0.00066 -0.00632 0.00749 136 3PY -0.00303 0.00508 0.01966 -0.00941 0.00328 137 3PZ -0.00322 0.00394 0.00521 -0.00968 -0.01192 138 4XX -0.00136 0.00219 0.00744 -0.00215 0.00482 139 4YY 0.00003 -0.00022 -0.00284 0.00071 -0.00169 140 4ZZ 0.00050 -0.00107 -0.00457 0.00135 -0.00251 141 4XY 0.00038 -0.00071 -0.00066 0.00040 -0.00003 142 4XZ -0.00042 0.00107 0.00081 -0.00036 -0.00008 143 4YZ 0.00007 -0.00035 0.00036 -0.00022 0.00084 144 14 C 1S -0.00178 0.00088 -0.00337 -0.00036 -0.00708 145 2S 0.00203 -0.01175 0.00217 0.00341 0.00896 146 2PX 0.01015 -0.01513 -0.09618 0.02838 -0.08499 147 2PY -0.00432 0.00318 0.03274 -0.01781 0.02216 148 2PZ 0.00361 -0.00713 -0.05345 0.01151 -0.05580 149 3S 0.00643 -0.00116 -0.00327 0.00310 0.03657 150 3PX -0.00004 -0.00216 -0.06339 0.01665 -0.06051 151 3PY -0.00140 0.00541 0.00958 0.00035 0.02168 152 3PZ 0.00539 -0.00889 -0.04567 0.02345 -0.04285 153 4XX -0.00117 0.00203 0.00413 -0.00259 0.00356 154 4YY 0.00008 -0.00132 -0.00200 0.00199 -0.00090 155 4ZZ -0.00041 0.00005 0.00061 -0.00069 -0.00119 156 4XY 0.00011 -0.00072 -0.00214 -0.00057 -0.00182 157 4XZ -0.00101 0.00281 0.00601 -0.00293 0.00182 158 4YZ 0.00033 -0.00076 -0.00200 -0.00008 -0.00168 159 15 C 1S -0.00147 0.00106 0.00434 -0.00049 0.00469 160 2S 0.00123 -0.00455 -0.01454 0.00143 -0.01529 161 2PX -0.00411 0.01445 0.01847 -0.00664 0.00157 162 2PY 0.00076 -0.00061 -0.00451 0.00325 -0.00047 163 2PZ -0.00342 0.01439 0.02131 -0.00218 0.01566 164 3S 0.00181 -0.00137 0.02214 -0.01124 0.00470 165 3PX -0.00602 0.01485 0.02983 -0.01357 0.01379 166 3PY 0.00355 -0.00374 0.00268 0.00680 0.00870 167 3PZ -0.00327 0.01038 0.00666 -0.00130 0.01235 168 4XX -0.00073 0.00068 -0.00075 -0.00005 -0.00027 169 4YY -0.00019 -0.00014 -0.00203 0.00055 -0.00171 170 4ZZ -0.00079 0.00054 0.00379 -0.00138 0.00331 171 4XY -0.00064 0.00110 0.00483 -0.00092 0.00453 172 4XZ -0.00042 0.00088 0.00371 -0.00057 0.00410 173 4YZ -0.00008 0.00014 0.00084 -0.00005 0.00075 174 16 H 1S 0.00002 -0.00081 0.00140 -0.00105 -0.00024 175 2S -0.00007 -0.00124 -0.00782 -0.00046 -0.00694 176 17 H 1S -0.00158 0.00237 -0.00430 0.00874 -0.00434 177 2S -0.00290 0.00462 0.00196 0.01591 0.00488 178 18 H 1S -0.00089 0.00093 -0.00030 -0.00055 0.00171 179 2S -0.00225 0.00354 0.01051 -0.00519 0.00986 180 19 H 1S 0.00527 -0.00989 -0.02034 0.00878 -0.00529 181 2S 0.00154 -0.00350 -0.01467 0.00001 -0.01675 182 20 H 1S 0.00352 -0.00613 -0.01583 0.01298 -0.00548 183 2S 0.00300 -0.00426 -0.02177 0.01747 -0.01240 184 21 H 1S -0.00020 0.00178 0.00449 -0.00132 0.00415 185 2S -0.00032 0.00115 0.01194 -0.00115 0.00745 186 22 H 1S -0.00017 -0.00010 0.00825 -0.00090 0.00462 187 2S -0.00101 0.00165 0.02950 -0.00628 0.02402 188 23 H 1S -0.00569 0.01142 0.02669 -0.00982 0.01420 189 2S -0.00774 0.01691 0.06151 -0.01884 0.03321 6 7 8 9 10 6 3S 0.29973 7 3PX 0.06708 0.12473 8 3PY 0.00400 -0.03310 0.05430 9 3PZ 0.00052 0.06146 -0.02262 0.08173 10 4XX -0.00903 -0.00247 -0.00219 0.00351 0.00257 11 4YY -0.00021 -0.00008 0.00157 -0.00049 -0.00066 12 4ZZ -0.00500 0.00044 -0.00161 -0.00234 -0.00051 13 4XY -0.00208 0.00129 -0.00261 0.00470 0.00076 14 4XZ -0.00357 0.00042 0.00122 0.00012 -0.00029 15 4YZ 0.01236 0.00582 -0.00152 -0.00033 -0.00050 16 2 C 1S 0.00367 -0.00176 -0.00213 -0.00504 0.00306 17 2S 0.02478 0.00269 0.01919 0.01675 -0.00698 18 2PX 0.04729 0.10791 -0.01647 0.06605 0.00153 19 2PY -0.13773 0.01351 -0.09538 0.03740 0.01249 20 2PZ 0.06413 0.06752 -0.01935 0.08653 0.00060 21 3S -0.03679 0.02455 -0.00690 0.03436 -0.00353 22 3PX 0.02455 0.06258 -0.01792 0.05315 0.00135 23 3PY 0.00690 0.01792 -0.01861 0.01742 0.00402 24 3PZ 0.03436 0.05315 -0.01742 0.04910 0.00175 25 4XX -0.00353 0.00135 -0.00402 0.00175 0.00068 26 4YY 0.01095 0.00199 0.00317 -0.00132 -0.00030 27 4ZZ -0.00908 -0.00425 -0.00188 -0.00197 0.00019 28 4XY -0.00648 -0.00819 0.00235 -0.00436 0.00013 29 4XZ 0.00359 0.00003 0.00294 -0.00229 -0.00006 30 4YZ 0.00473 -0.00509 0.00302 -0.00620 -0.00048 31 3 C 1S 0.00659 -0.00869 0.00707 -0.00110 -0.00090 32 2S -0.00918 0.01919 -0.01699 0.00906 0.00265 33 2PX -0.04600 0.02153 -0.00387 -0.00788 0.00613 34 2PY -0.01697 -0.02818 -0.02953 0.02186 -0.00294 35 2PZ 0.03497 -0.02188 -0.00445 -0.00484 -0.00296 36 3S 0.00519 0.02303 -0.02300 0.01582 0.00059 37 3PX -0.02794 -0.00700 0.00175 -0.01561 0.00036 38 3PY -0.00490 -0.01051 0.00031 0.00461 0.00021 39 3PZ 0.00687 -0.01224 0.00257 -0.00742 -0.00345 40 4XX -0.00284 -0.00316 0.00097 0.00061 -0.00048 41 4YY -0.00306 0.00456 0.00140 -0.00241 0.00034 42 4ZZ 0.00512 -0.00388 -0.00126 0.00065 0.00021 43 4XY -0.00068 -0.00386 -0.00347 0.00208 -0.00027 44 4XZ -0.00163 0.00126 0.00086 -0.00070 -0.00104 45 4YZ 0.00114 -0.00306 0.00150 -0.00113 0.00104 46 4 O 1S 0.03492 -0.00475 0.01020 0.00953 -0.00322 47 2S -0.08913 0.01373 -0.02120 -0.02437 0.00839 48 2PX 0.03540 -0.03146 -0.01152 0.03241 -0.00944 49 2PY 0.06759 0.02143 0.04807 0.00629 0.01046 50 2PZ -0.08963 0.07251 0.03328 -0.03092 -0.02940 51 3S -0.13468 0.02484 -0.01206 -0.02986 0.00468 52 3PX 0.00258 -0.02166 0.00067 0.00691 -0.00783 53 3PY 0.05256 0.01952 0.02862 0.00930 0.00632 54 3PZ -0.05651 0.03126 0.02423 -0.02963 -0.02040 55 4XX 0.00520 0.00493 -0.00303 0.00340 -0.00032 56 4YY 0.00233 0.00108 0.00265 0.00113 0.00061 57 4ZZ 0.00369 -0.00568 -0.00102 -0.00309 0.00039 58 4XY 0.00425 -0.00179 0.00214 0.00152 -0.00057 59 4XZ -0.00578 0.00025 0.00086 0.00111 0.00006 60 4YZ -0.00522 0.00470 -0.00169 0.00029 -0.00114 61 5 H 1S 0.13427 0.02269 -0.03640 -0.06121 -0.00934 62 2S 0.04263 -0.00484 -0.02193 -0.05495 -0.00724 63 6 H 1S -0.07012 -0.00642 -0.02493 -0.00022 0.00263 64 2S -0.06765 -0.00799 -0.02647 -0.00149 0.00349 65 7 H 1S -0.00400 -0.00738 0.00321 0.00178 -0.00398 66 2S -0.02480 -0.03243 0.01792 -0.02142 -0.00782 67 8 O 1S -0.02204 0.00010 -0.00839 -0.00190 0.00001 68 2S 0.04462 -0.00142 0.01356 0.00723 0.00037 69 2PX -0.03900 -0.06130 -0.00425 -0.00347 -0.00316 70 2PY 0.12848 0.02257 0.07207 -0.02405 0.00010 71 2PZ -0.01853 -0.06051 0.04181 -0.03842 -0.00257 72 3S 0.08733 0.00886 0.03795 -0.00346 -0.00165 73 3PX -0.03135 -0.05161 0.00043 -0.01115 -0.00260 74 3PY 0.08186 0.00997 0.05021 -0.01958 0.00019 75 3PZ -0.02233 -0.05505 0.03132 -0.03403 -0.00153 76 4XX 0.00069 0.00177 -0.00133 0.00260 -0.00003 77 4YY -0.00732 -0.00045 -0.00374 0.00171 0.00023 78 4ZZ -0.00196 -0.00144 -0.00125 -0.00161 0.00020 79 4XY 0.00006 0.00314 -0.00169 0.00009 0.00042 80 4XZ -0.00026 0.00114 0.00043 -0.00069 0.00002 81 4YZ -0.00025 -0.00006 -0.00031 0.00022 -0.00011 82 9 H 1S 0.03113 -0.01289 -0.01181 0.00640 0.00094 83 2S 0.02963 -0.01984 -0.00734 0.00350 0.00366 84 10 C 1S 0.00323 0.00175 0.00071 0.00133 -0.00011 85 2S -0.01717 -0.00019 -0.00700 -0.00757 0.00030 86 2PX 0.02582 0.07629 -0.03392 0.04357 0.00113 87 2PY 0.00651 0.02019 -0.00773 0.00501 0.00025 88 2PZ 0.04043 0.03053 -0.00101 0.03447 0.00034 89 3S -0.01583 -0.01134 -0.00543 -0.00497 -0.00046 90 3PX 0.02582 0.06199 -0.02751 0.04224 0.00154 91 3PY 0.00756 0.02273 -0.00859 0.01208 0.00065 92 3PZ 0.02020 0.03712 -0.01206 0.02569 0.00092 93 4XX 0.00058 0.00019 -0.00002 0.00055 0.00000 94 4YY 0.00130 -0.00030 0.00056 0.00012 0.00004 95 4ZZ -0.00033 0.00036 -0.00039 0.00040 0.00008 96 4XY -0.00078 -0.00031 -0.00069 -0.00021 0.00016 97 4XZ 0.00070 0.00039 0.00027 0.00058 -0.00003 98 4YZ 0.00103 -0.00091 0.00071 0.00087 0.00005 99 11 C 1S -0.00273 0.00469 -0.00257 0.00230 -0.00010 100 2S -0.01790 -0.01285 -0.00144 -0.01589 0.00008 101 2PX 0.00114 0.00853 -0.01041 0.00856 0.00067 102 2PY 0.04084 0.00807 0.01209 0.00736 -0.00035 103 2PZ -0.00819 0.02081 -0.01393 -0.00722 0.00020 104 3S -0.00974 0.00119 -0.00634 -0.00801 0.00043 105 3PX 0.00298 0.01711 -0.01234 0.01411 0.00098 106 3PY 0.00289 -0.00775 0.00361 -0.00453 -0.00086 107 3PZ -0.00038 0.00678 -0.00139 -0.00698 -0.00015 108 4XX 0.00013 0.00033 0.00014 0.00142 -0.00003 109 4YY 0.00170 -0.00053 0.00098 -0.00051 -0.00004 110 4ZZ 0.00004 0.00198 -0.00133 0.00116 0.00004 111 4XY 0.00048 0.00048 0.00017 0.00049 -0.00002 112 4XZ 0.00209 0.00506 -0.00188 0.00352 0.00011 113 4YZ 0.00116 0.00053 0.00013 0.00100 0.00003 114 12 C 1S 0.00591 0.00658 -0.00087 0.00574 -0.00012 115 2S -0.00784 -0.01730 0.00302 -0.00704 0.00019 116 2PX 0.01472 0.01932 0.00355 0.00955 -0.00068 117 2PY 0.00701 0.00217 0.00163 0.00872 -0.00028 118 2PZ -0.01729 -0.01182 0.00358 -0.00538 -0.00014 119 3S -0.02351 -0.04974 0.01821 -0.03324 -0.00132 120 3PX 0.00234 0.00344 0.00167 0.00066 -0.00064 121 3PY 0.00615 -0.00336 0.00512 0.00081 -0.00024 122 3PZ -0.01200 -0.01093 0.00281 -0.00581 -0.00021 123 4XX 0.00063 0.00100 0.00021 0.00097 -0.00006 124 4YY -0.00002 -0.00067 0.00047 -0.00066 0.00003 125 4ZZ -0.00020 0.00017 -0.00081 -0.00019 -0.00002 126 4XY -0.00068 0.00054 0.00060 -0.00011 0.00007 127 4XZ 0.00133 0.00122 -0.00003 0.00086 -0.00001 128 4YZ -0.00091 -0.00033 0.00057 -0.00004 -0.00002 129 13 C 1S 0.00752 0.00620 -0.00413 0.00045 -0.00102 130 2S -0.01862 -0.00786 0.00703 -0.00999 0.00157 131 2PX 0.03651 0.01115 -0.02235 0.01893 -0.00369 132 2PY 0.00836 -0.00189 -0.00382 -0.00286 -0.00007 133 2PZ 0.02679 0.00121 -0.01032 -0.00721 -0.00053 134 3S -0.03284 -0.01695 0.01115 -0.01682 0.00053 135 3PX 0.01725 -0.00040 -0.00820 0.00773 -0.00120 136 3PY 0.01615 0.01069 -0.00503 0.00600 0.00009 137 3PZ 0.01052 0.00266 -0.00539 -0.00719 -0.00164 138 4XX 0.00463 0.00474 -0.00286 0.00364 0.00008 139 4YY -0.00125 -0.00209 0.00033 -0.00131 -0.00006 140 4ZZ -0.00270 -0.00276 0.00257 -0.00178 -0.00011 141 4XY -0.00136 -0.00007 0.00068 -0.00051 0.00012 142 4XZ 0.00062 0.00061 -0.00055 0.00031 -0.00013 143 4YZ -0.00098 0.00028 0.00030 0.00062 0.00010 144 14 C 1S 0.01627 0.00364 0.00002 0.00155 -0.00145 145 2S -0.00058 -0.00783 0.00570 0.00702 0.00260 146 2PX -0.03825 -0.05824 0.03774 -0.05985 -0.00450 147 2PY 0.03810 0.02308 0.00624 0.01613 0.00217 148 2PZ 0.00095 -0.04996 0.02707 -0.01994 -0.00488 149 3S 0.01385 -0.00397 0.00071 0.01978 0.00639 150 3PX -0.01594 -0.04196 0.02789 -0.03871 -0.00377 151 3PY 0.01742 0.00784 -0.00033 0.01251 0.00275 152 3PZ -0.01386 -0.03718 0.02219 -0.02313 -0.00391 153 4XX 0.00247 0.00353 -0.00196 0.00187 -0.00016 154 4YY -0.00286 -0.00204 -0.00003 -0.00072 0.00001 155 4ZZ 0.00019 0.00070 0.00085 -0.00039 -0.00010 156 4XY -0.00121 -0.00115 0.00008 -0.00128 0.00002 157 4XZ 0.00361 0.00414 -0.00154 0.00210 -0.00029 158 4YZ -0.00034 -0.00204 0.00065 -0.00043 -0.00009 159 15 C 1S 0.00628 0.00386 -0.00121 0.00700 -0.00017 160 2S 0.00377 -0.01646 0.01053 -0.00537 0.00025 161 2PX 0.02070 0.02051 0.00788 0.00982 -0.00359 162 2PY -0.00929 -0.00477 -0.00272 -0.00210 0.00040 163 2PZ -0.00712 0.03439 -0.01736 -0.00169 -0.00053 164 3S 0.00523 0.01597 0.00057 0.00405 -0.00201 165 3PX 0.02069 0.02878 -0.00180 0.01374 -0.00155 166 3PY -0.00411 0.00352 -0.00221 0.00167 0.00031 167 3PZ 0.01026 0.01177 -0.00331 0.00582 0.00088 168 4XX 0.00014 0.00002 -0.00001 -0.00049 -0.00008 169 4YY -0.00167 -0.00135 -0.00028 -0.00116 0.00002 170 4ZZ 0.00223 0.00275 -0.00112 0.00202 0.00034 171 4XY 0.00139 0.00429 -0.00220 0.00254 0.00016 172 4XZ 0.00138 0.00247 -0.00125 0.00261 0.00009 173 4YZ 0.00157 -0.00007 0.00037 0.00142 -0.00004 174 16 H 1S 0.00819 -0.00087 0.00425 0.00481 0.00001 175 2S 0.01022 -0.00998 0.00992 0.00221 -0.00018 176 17 H 1S 0.01882 -0.00227 0.00882 -0.00334 -0.00027 177 2S 0.02528 0.00329 0.00984 0.00171 0.00021 178 18 H 1S 0.00694 0.00100 -0.00437 0.00150 0.00022 179 2S 0.00816 0.01119 -0.01101 0.00609 0.00037 180 19 H 1S -0.03048 -0.00988 0.01592 -0.00562 0.00064 181 2S -0.02129 -0.00873 0.01603 -0.00795 -0.00125 182 20 H 1S -0.02333 -0.01586 -0.00394 -0.00445 0.00013 183 2S -0.02506 -0.01979 -0.00221 -0.00895 -0.00085 184 21 H 1S -0.00487 0.01027 -0.00725 -0.00468 0.00094 185 2S -0.00908 0.01681 -0.01081 -0.00448 0.00039 186 22 H 1S 0.00309 0.00534 0.00559 0.00481 -0.00021 187 2S 0.00911 0.02229 0.00152 0.01616 0.00068 188 23 H 1S 0.02483 0.01504 -0.01742 0.01523 -0.00108 189 2S 0.03965 0.03713 -0.02693 0.03099 -0.00018 11 12 13 14 15 11 4YY 0.00122 12 4ZZ -0.00036 0.00177 13 4XY -0.00008 -0.00055 0.00157 14 4XZ 0.00086 -0.00049 -0.00038 0.00159 15 4YZ 0.00003 0.00000 -0.00056 0.00008 0.00181 16 2 C 1S -0.00652 0.00376 -0.00011 -0.00126 0.00093 17 2S 0.01196 -0.00871 0.00072 0.00299 -0.00176 18 2PX -0.00050 -0.00354 0.01305 -0.00134 0.00411 19 2PY -0.00768 0.01074 0.00508 -0.00510 -0.00039 20 2PZ 0.00132 -0.00492 0.00442 -0.00098 0.01358 21 3S 0.01095 -0.00908 0.00647 0.00359 -0.00473 22 3PX 0.00199 -0.00425 0.00819 0.00003 0.00509 23 3PY -0.00317 0.00188 0.00235 -0.00294 0.00302 24 3PZ -0.00132 -0.00196 0.00436 -0.00229 0.00620 25 4XX -0.00030 0.00019 -0.00013 -0.00006 0.00048 26 4YY -0.00012 -0.00031 0.00009 -0.00025 -0.00008 27 4ZZ -0.00030 0.00079 0.00000 -0.00011 -0.00019 28 4XY -0.00009 0.00000 0.00003 -0.00031 -0.00058 29 4XZ -0.00025 -0.00011 0.00031 0.00001 -0.00019 30 4YZ 0.00008 0.00019 -0.00058 0.00019 0.00061 31 3 C 1S 0.00096 -0.00057 0.00137 -0.00004 -0.00181 32 2S -0.00239 0.00111 -0.00301 -0.00068 0.00437 33 2PX -0.00375 0.00264 -0.00532 -0.00384 0.00547 34 2PY 0.00283 -0.00156 0.00802 -0.00057 -0.00723 35 2PZ 0.00195 -0.00165 0.00252 0.00166 -0.00160 36 3S -0.00173 0.00098 -0.00263 0.00112 0.00502 37 3PX -0.00157 0.00328 -0.00344 -0.00084 0.00130 38 3PY -0.00093 0.00015 0.00335 -0.00257 -0.00314 39 3PZ 0.00071 0.00177 0.00021 -0.00038 -0.00124 40 4XX -0.00031 0.00078 -0.00045 -0.00076 -0.00012 41 4YY 0.00017 -0.00013 0.00018 0.00039 0.00003 42 4ZZ 0.00013 -0.00067 0.00033 0.00018 -0.00020 43 4XY 0.00068 -0.00053 0.00051 0.00063 -0.00023 44 4XZ 0.00015 0.00079 -0.00003 0.00020 -0.00020 45 4YZ -0.00032 -0.00065 0.00033 -0.00006 0.00012 46 4 O 1S 0.00182 -0.00090 -0.00470 0.00505 0.00413 47 2S -0.00409 0.00235 0.01079 -0.01161 -0.00922 48 2PX -0.00918 0.01398 0.00449 -0.02005 -0.01220 49 2PY -0.01653 0.00638 -0.01261 -0.01476 0.00926 50 2PZ 0.00565 0.02477 -0.01651 0.00339 0.00084 51 3S -0.00024 0.00267 0.01469 -0.00972 -0.01448 52 3PX -0.00558 0.01124 -0.00028 -0.01187 -0.00699 53 3PY -0.01096 0.00436 -0.00710 -0.01042 0.00564 54 3PZ 0.00316 0.01746 -0.01091 0.00064 -0.00083 55 4XX -0.00004 0.00019 0.00022 -0.00006 0.00013 56 4YY -0.00085 0.00032 -0.00094 -0.00074 0.00074 57 4ZZ 0.00003 -0.00048 0.00014 0.00023 0.00017 58 4XY -0.00024 0.00030 0.00006 -0.00079 -0.00053 59 4XZ 0.00022 -0.00002 -0.00024 0.00065 0.00001 60 4YZ 0.00030 0.00107 -0.00033 0.00029 0.00010 61 5 H 1S -0.00167 0.00676 -0.00634 -0.00355 0.01345 62 2S -0.00147 0.00845 -0.00604 -0.00266 0.01024 63 6 H 1S 0.00051 0.00228 0.00243 -0.00114 -0.00701 64 2S -0.00295 0.00487 0.00041 -0.00217 -0.00665 65 7 H 1S -0.00002 0.00291 -0.00086 -0.00022 -0.00136 66 2S 0.00013 0.00705 -0.00259 -0.00116 -0.00382 67 8 O 1S -0.00112 -0.00027 0.00006 -0.00024 -0.00031 68 2S 0.00166 0.00067 0.00010 0.00049 0.00054 69 2PX 0.00309 0.00289 -0.00582 0.00024 0.00542 70 2PY -0.00537 0.00049 0.00300 -0.00140 -0.00364 71 2PZ -0.00238 0.00310 0.00420 -0.00091 -0.00347 72 3S 0.00285 -0.00035 0.00067 0.00291 0.00097 73 3PX 0.00146 0.00278 -0.00413 0.00006 0.00252 74 3PY -0.00403 0.00066 0.00134 -0.00124 -0.00270 75 3PZ -0.00135 0.00229 0.00166 -0.00036 -0.00313 76 4XX 0.00007 -0.00004 0.00054 -0.00008 0.00008 77 4YY 0.00005 -0.00002 -0.00036 -0.00014 0.00034 78 4ZZ -0.00008 0.00005 -0.00011 0.00004 -0.00041 79 4XY -0.00039 0.00016 0.00033 -0.00011 -0.00019 80 4XZ -0.00029 0.00022 0.00000 -0.00009 0.00008 81 4YZ 0.00036 -0.00031 -0.00040 0.00015 0.00004 82 9 H 1S 0.00056 -0.00334 0.00174 0.00117 0.00005 83 2S 0.00073 -0.00572 0.00256 0.00167 -0.00088 84 10 C 1S -0.00013 -0.00033 0.00019 -0.00001 0.00005 85 2S 0.00012 0.00043 -0.00064 0.00032 -0.00062 86 2PX 0.00060 -0.00323 0.00062 -0.00079 -0.00010 87 2PY -0.00051 -0.00056 0.00022 0.00004 0.00000 88 2PZ 0.00067 -0.00212 0.00096 -0.00078 0.00077 89 3S 0.00001 0.00080 0.00111 -0.00195 0.00064 90 3PX 0.00039 -0.00298 0.00146 -0.00054 0.00051 91 3PY -0.00041 -0.00042 -0.00024 0.00065 -0.00063 92 3PZ 0.00063 -0.00198 0.00013 0.00062 0.00050 93 4XX 0.00001 -0.00004 -0.00005 0.00002 -0.00004 94 4YY 0.00000 -0.00003 -0.00008 0.00006 -0.00008 95 4ZZ 0.00000 -0.00006 0.00023 -0.00007 0.00020 96 4XY -0.00008 0.00002 -0.00031 0.00031 -0.00030 97 4XZ 0.00003 -0.00005 0.00019 -0.00005 0.00021 98 4YZ -0.00004 0.00001 -0.00002 0.00011 -0.00004 99 11 C 1S 0.00014 -0.00016 -0.00029 0.00012 -0.00042 100 2S -0.00011 0.00093 0.00009 -0.00031 0.00030 101 2PX -0.00040 0.00007 -0.00546 0.00234 -0.00522 102 2PY 0.00009 -0.00083 -0.00217 0.00092 -0.00158 103 2PZ -0.00049 -0.00005 -0.00308 0.00171 -0.00311 104 3S 0.00088 -0.00051 -0.00001 0.00077 0.00202 105 3PX -0.00024 -0.00054 -0.00373 0.00234 -0.00404 106 3PY -0.00030 0.00100 -0.00080 -0.00078 -0.00121 107 3PZ -0.00009 -0.00011 -0.00275 0.00178 -0.00259 108 4XX 0.00002 0.00000 0.00022 -0.00009 0.00017 109 4YY -0.00001 0.00001 -0.00012 0.00006 -0.00007 110 4ZZ -0.00003 -0.00004 0.00002 -0.00003 -0.00005 111 4XY 0.00003 -0.00007 0.00009 0.00008 0.00009 112 4XZ 0.00004 -0.00023 0.00026 -0.00006 0.00011 113 4YZ 0.00003 -0.00008 0.00010 -0.00001 0.00008 114 12 C 1S 0.00005 -0.00043 0.00017 0.00013 0.00020 115 2S 0.00008 0.00076 -0.00072 -0.00013 -0.00039 116 2PX 0.00046 -0.00081 0.00117 0.00000 0.00086 117 2PY -0.00026 -0.00015 -0.00033 0.00030 0.00029 118 2PZ 0.00027 0.00080 0.00008 0.00001 -0.00017 119 3S -0.00051 0.00260 -0.00093 -0.00191 -0.00113 120 3PX 0.00060 -0.00021 0.00002 0.00029 0.00053 121 3PY -0.00012 0.00006 -0.00104 0.00101 -0.00020 122 3PZ -0.00002 0.00076 0.00008 -0.00045 -0.00033 123 4XX 0.00007 -0.00007 0.00035 -0.00009 0.00034 124 4YY -0.00001 0.00001 -0.00013 0.00005 -0.00013 125 4ZZ -0.00003 0.00003 -0.00023 0.00006 -0.00018 126 4XY -0.00001 -0.00004 0.00004 0.00000 -0.00001 127 4XZ 0.00003 -0.00007 0.00002 0.00002 0.00001 128 4YZ 0.00003 0.00001 -0.00005 0.00000 -0.00007 129 13 C 1S 0.00005 -0.00016 0.00019 0.00002 0.00076 130 2S -0.00062 -0.00010 -0.00037 -0.00007 -0.00131 131 2PX 0.00094 0.00063 0.00065 -0.00012 0.00182 132 2PY 0.00025 0.00044 -0.00021 0.00013 -0.00009 133 2PZ -0.00026 0.00031 -0.00053 0.00085 0.00048 134 3S 0.00010 0.00097 -0.00252 0.00241 -0.00406 135 3PX -0.00021 0.00054 0.00016 -0.00067 0.00018 136 3PY 0.00016 -0.00022 -0.00030 0.00049 0.00080 137 3PZ -0.00010 0.00151 -0.00096 -0.00008 0.00020 138 4XX -0.00005 -0.00012 -0.00002 0.00026 0.00012 139 4YY 0.00005 0.00008 -0.00005 -0.00009 -0.00007 140 4ZZ 0.00000 0.00012 0.00006 -0.00026 -0.00005 141 4XY -0.00001 -0.00004 -0.00003 0.00001 -0.00007 142 4XZ 0.00004 0.00001 0.00005 -0.00010 0.00011 143 4YZ -0.00003 -0.00002 0.00003 0.00002 -0.00001 144 14 C 1S -0.00025 -0.00002 0.00060 -0.00108 0.00072 145 2S -0.00060 -0.00077 -0.00158 0.00262 -0.00176 146 2PX 0.00146 0.00198 0.00189 -0.00601 0.00142 147 2PY -0.00225 -0.00006 0.00082 0.00200 0.00062 148 2PZ 0.00099 0.00252 0.00154 -0.00294 0.00120 149 3S -0.00161 -0.00389 0.00038 0.00235 -0.00168 150 3PX 0.00109 0.00145 0.00156 -0.00458 0.00232 151 3PY -0.00074 -0.00224 0.00189 0.00115 0.00026 152 3PZ 0.00119 0.00186 0.00098 -0.00211 -0.00021 153 4XX -0.00007 0.00014 0.00005 -0.00007 0.00008 154 4YY 0.00015 -0.00003 -0.00011 0.00007 -0.00014 155 4ZZ 0.00002 0.00004 0.00014 -0.00016 0.00021 156 4XY 0.00001 0.00003 -0.00001 -0.00011 -0.00003 157 4XZ 0.00009 -0.00001 0.00024 -0.00027 0.00044 158 4YZ 0.00000 0.00010 -0.00002 -0.00001 -0.00005 159 15 C 1S -0.00029 -0.00095 0.00007 -0.00034 -0.00007 160 2S -0.00008 0.00042 0.00026 0.00041 0.00025 161 2PX 0.00185 -0.00117 0.00515 -0.00639 0.00503 162 2PY 0.00028 0.00018 -0.00109 0.00051 -0.00085 163 2PZ 0.00138 -0.00156 0.00182 -0.00303 0.00227 164 3S -0.00025 0.00264 -0.00148 -0.00013 0.00005 165 3PX 0.00116 -0.00164 0.00406 -0.00435 0.00457 166 3PY -0.00011 0.00033 -0.00142 0.00108 -0.00177 167 3PZ 0.00057 -0.00229 0.00286 -0.00204 0.00225 168 4XX 0.00000 0.00003 0.00001 -0.00014 0.00004 169 4YY 0.00008 -0.00005 -0.00003 -0.00004 0.00001 170 4ZZ -0.00010 -0.00020 0.00001 0.00024 0.00005 171 4XY -0.00001 -0.00016 -0.00002 0.00009 -0.00005 172 4XZ -0.00003 -0.00007 -0.00001 0.00012 -0.00003 173 4YZ 0.00002 -0.00003 -0.00002 -0.00001 -0.00003 174 16 H 1S 0.00001 -0.00010 0.00040 -0.00019 0.00037 175 2S -0.00014 0.00003 0.00092 -0.00060 0.00057 176 17 H 1S 0.00011 -0.00015 -0.00109 0.00041 -0.00054 177 2S 0.00003 -0.00073 -0.00139 0.00109 -0.00106 178 18 H 1S -0.00037 -0.00001 -0.00092 0.00021 -0.00054 179 2S -0.00044 -0.00021 -0.00096 0.00034 -0.00087 180 19 H 1S -0.00016 0.00013 0.00028 -0.00112 -0.00061 181 2S 0.00008 0.00120 0.00041 -0.00224 0.00075 182 20 H 1S 0.00115 -0.00051 -0.00129 0.00029 -0.00132 183 2S 0.00170 -0.00047 -0.00010 -0.00036 -0.00092 184 21 H 1S -0.00008 -0.00042 -0.00001 0.00034 0.00014 185 2S -0.00004 0.00006 -0.00063 0.00061 -0.00044 186 22 H 1S 0.00033 -0.00032 0.00129 -0.00034 0.00108 187 2S 0.00028 -0.00144 0.00305 -0.00062 0.00220 188 23 H 1S 0.00009 -0.00012 0.00011 0.00077 0.00087 189 2S 0.00024 -0.00138 0.00081 0.00156 0.00221 16 17 18 19 20 16 2 C 1S 2.05261 17 2S -0.06334 0.33257 18 2PX -0.01176 0.01998 0.35371 19 2PY 0.00634 -0.01501 0.03630 0.42805 20 2PZ 0.01404 -0.02170 0.01906 -0.02885 0.37249 21 3S -0.17198 0.27273 0.08760 0.01081 -0.02659 22 3PX -0.02120 0.04292 0.18177 0.03494 0.08695 23 3PY 0.00657 -0.00325 0.04956 0.11867 0.01996 24 3PZ 0.00675 -0.02185 0.07209 0.00936 0.15203 25 4XX -0.01239 -0.01159 -0.01053 0.00768 0.01099 26 4YY -0.01714 -0.00125 0.00616 -0.01253 -0.00529 27 4ZZ -0.01510 -0.00556 0.00141 0.01278 -0.00454 28 4XY -0.00069 0.00120 0.00172 -0.00375 -0.01206 29 4XZ 0.00382 -0.00899 0.00965 -0.01029 -0.00675 30 4YZ 0.00389 -0.00798 -0.01323 -0.00743 0.00864 31 3 C 1S -0.00314 0.00638 -0.01152 -0.00990 0.00088 32 2S 0.00673 -0.01754 0.03150 0.03286 0.00092 33 2PX 0.01268 -0.03068 0.02354 0.02100 -0.02323 34 2PY 0.00315 -0.00785 0.03052 -0.02359 -0.03727 35 2PZ -0.00739 0.01915 -0.02701 -0.00822 -0.00102 36 3S 0.01015 -0.01295 0.04935 0.04941 -0.00081 37 3PX 0.01056 -0.01965 -0.00272 0.01598 -0.03444 38 3PY 0.00295 -0.00741 0.03169 -0.00309 -0.02777 39 3PZ -0.00561 0.00942 -0.01389 -0.00428 -0.00634 40 4XX -0.00080 0.00210 -0.00733 0.00190 0.00471 41 4YY 0.00216 -0.00472 0.00926 -0.00494 -0.00647 42 4ZZ -0.00173 0.00371 -0.00745 0.00112 0.00216 43 4XY -0.00068 0.00166 -0.00086 -0.00201 0.00227 44 4XZ 0.00080 -0.00197 0.00588 0.00055 -0.00268 45 4YZ 0.00033 -0.00056 0.00624 0.00076 0.00037 46 4 O 1S -0.00167 0.00506 -0.00606 -0.00188 0.00720 47 2S 0.00707 -0.01595 0.01455 0.01745 -0.01527 48 2PX 0.00948 -0.02371 -0.05406 0.04110 -0.03138 49 2PY 0.02371 -0.05641 0.02195 0.05732 -0.01759 50 2PZ 0.00044 -0.00377 -0.05069 -0.04292 -0.05475 51 3S -0.00449 -0.00280 0.04409 -0.02609 -0.04176 52 3PX 0.00713 -0.01771 -0.04782 0.02586 -0.03641 53 3PY 0.01439 -0.03755 0.02403 0.04145 -0.00843 54 3PZ 0.00260 -0.00728 -0.05534 -0.03221 -0.04924 55 4XX 0.00035 -0.00011 0.00296 0.00359 0.00422 56 4YY 0.00145 -0.00240 0.00041 0.00269 0.00110 57 4ZZ 0.00100 -0.00105 -0.00402 0.00273 -0.00165 58 4XY -0.00095 0.00216 -0.00302 -0.00611 -0.00029 59 4XZ 0.00014 -0.00039 0.00122 0.00119 -0.00038 60 4YZ 0.00075 -0.00153 0.00079 0.00423 0.00014 61 5 H 1S 0.01685 -0.03778 -0.01256 0.04264 -0.00218 62 2S 0.02111 -0.04292 -0.02474 0.07153 0.00608 63 6 H 1S -0.06712 0.13219 0.07497 0.16958 -0.18396 64 2S -0.01673 0.03913 0.03835 0.14225 -0.16120 65 7 H 1S -0.00128 0.00252 -0.00527 0.00494 0.00591 66 2S 0.00094 -0.00187 -0.03559 -0.00678 -0.02527 67 8 O 1S 0.00575 -0.00817 0.02660 -0.00953 -0.02436 68 2S -0.01014 0.01261 -0.06256 0.03255 0.05495 69 2PX -0.05526 0.11975 -0.16220 0.10593 0.18094 70 2PY 0.02649 -0.05513 0.08199 -0.03445 -0.07953 71 2PZ 0.03854 -0.07485 0.18836 -0.07733 -0.08635 72 3S 0.00859 -0.01458 -0.03694 -0.02900 0.05864 73 3PX -0.02442 0.05739 -0.09467 0.05562 0.08462 74 3PY 0.02158 -0.04411 0.05065 -0.03048 -0.06483 75 3PZ 0.01944 -0.03657 0.09280 -0.04357 -0.06403 76 4XX -0.00264 0.00397 0.00732 0.00643 0.00497 77 4YY -0.00114 0.00121 -0.00361 0.00068 0.00434 78 4ZZ -0.00133 0.00154 -0.00647 0.00547 -0.00851 79 4XY 0.00424 -0.00849 0.00830 0.00376 -0.00942 80 4XZ 0.00528 -0.00877 0.00426 -0.00366 -0.00104 81 4YZ -0.00346 0.00613 -0.01220 -0.00315 0.00307 82 9 H 1S -0.00640 0.01540 -0.02377 0.00702 0.01456 83 2S -0.00610 0.01493 -0.04141 -0.00542 0.01429 84 10 C 1S -0.00147 0.00106 0.00434 0.00049 0.00469 85 2S 0.00123 -0.00455 -0.01454 -0.00143 -0.01529 86 2PX -0.00411 0.01445 0.01847 0.00663 0.00157 87 2PY -0.00076 0.00061 0.00451 0.00325 0.00046 88 2PZ -0.00342 0.01439 0.02131 0.00218 0.01566 89 3S 0.00181 -0.00137 0.02214 0.01124 0.00471 90 3PX -0.00602 0.01485 0.02983 0.01357 0.01379 91 3PY -0.00355 0.00374 -0.00268 0.00680 -0.00870 92 3PZ -0.00327 0.01038 0.00666 0.00130 0.01235 93 4XX -0.00073 0.00068 -0.00075 0.00005 -0.00027 94 4YY -0.00019 -0.00014 -0.00203 -0.00055 -0.00171 95 4ZZ -0.00079 0.00054 0.00379 0.00138 0.00331 96 4XY 0.00064 -0.00110 -0.00483 -0.00092 -0.00453 97 4XZ -0.00042 0.00088 0.00371 0.00057 0.00410 98 4YZ 0.00008 -0.00014 -0.00084 -0.00005 -0.00075 99 11 C 1S -0.00178 0.00088 -0.00337 0.00036 -0.00708 100 2S 0.00203 -0.01175 0.00217 -0.00341 0.00896 101 2PX 0.01015 -0.01512 -0.09618 -0.02837 -0.08499 102 2PY 0.00432 -0.00318 -0.03273 -0.01781 -0.02216 103 2PZ 0.00361 -0.00713 -0.05345 -0.01151 -0.05581 104 3S 0.00643 -0.00116 -0.00328 -0.00310 0.03656 105 3PX -0.00004 -0.00216 -0.06339 -0.01665 -0.06052 106 3PY 0.00140 -0.00541 -0.00958 0.00035 -0.02168 107 3PZ 0.00539 -0.00889 -0.04567 -0.02344 -0.04286 108 4XX -0.00117 0.00203 0.00413 0.00259 0.00356 109 4YY 0.00008 -0.00132 -0.00200 -0.00199 -0.00090 110 4ZZ -0.00041 0.00005 0.00061 0.00069 -0.00119 111 4XY -0.00011 0.00072 0.00214 -0.00057 0.00182 112 4XZ -0.00101 0.00281 0.00601 0.00293 0.00182 113 4YZ -0.00033 0.00076 0.00200 -0.00008 0.00168 114 12 C 1S -0.00252 0.00480 0.00742 0.00329 0.00118 115 2S 0.00388 -0.00790 -0.02077 -0.00691 -0.00214 116 2PX -0.00833 0.01838 0.02875 0.01257 0.00752 117 2PY 0.00135 -0.00289 -0.00193 -0.00484 0.00437 118 2PZ -0.00374 0.00643 0.00451 0.00858 -0.00897 119 3S 0.01272 -0.02730 -0.02701 -0.02355 -0.01480 120 3PX -0.00698 0.01248 0.00066 0.00632 0.00749 121 3PY 0.00303 -0.00508 -0.01966 -0.00941 -0.00327 122 3PZ -0.00322 0.00394 0.00522 0.00968 -0.01192 123 4XX -0.00136 0.00219 0.00744 0.00215 0.00482 124 4YY 0.00003 -0.00022 -0.00283 -0.00071 -0.00169 125 4ZZ 0.00050 -0.00107 -0.00457 -0.00135 -0.00251 126 4XY -0.00038 0.00071 0.00066 0.00040 0.00003 127 4XZ -0.00042 0.00107 0.00081 0.00036 -0.00008 128 4YZ -0.00008 0.00035 -0.00036 -0.00022 -0.00084 129 13 C 1S -0.00111 0.00181 0.00869 0.00054 0.00636 130 2S 0.00217 -0.00414 -0.01776 -0.00136 -0.01399 131 2PX -0.00250 0.00432 0.02088 -0.00079 0.01474 132 2PY 0.00146 -0.00201 -0.00592 0.00077 -0.00442 133 2PZ 0.00247 -0.00326 -0.01050 0.00034 -0.01052 134 3S 0.00506 -0.00646 -0.06640 -0.01066 -0.04807 135 3PX -0.00016 -0.00019 0.00533 -0.00062 -0.00110 136 3PY 0.00059 0.00054 0.00025 0.00522 0.00526 137 3PZ 0.00228 -0.00320 -0.01257 0.00323 -0.01129 138 4XX -0.00015 0.00025 0.00239 0.00105 0.00074 139 4YY 0.00001 -0.00008 -0.00133 -0.00075 -0.00048 140 4ZZ -0.00016 0.00035 -0.00044 -0.00031 -0.00004 141 4XY 0.00002 0.00012 -0.00015 0.00039 -0.00053 142 4XZ -0.00023 0.00039 0.00156 -0.00014 0.00103 143 4YZ -0.00005 0.00009 0.00041 0.00071 0.00021 144 14 C 1S -0.00087 0.00284 0.00614 -0.00131 0.00598 145 2S 0.00340 -0.00361 -0.01795 0.00281 -0.01530 146 2PX -0.00345 0.00871 0.00239 -0.01762 0.01206 147 2PY 0.00462 -0.00685 -0.00664 0.01472 -0.00694 148 2PZ -0.00223 0.00600 0.00500 -0.00876 0.00835 149 3S -0.00191 -0.00263 0.00497 0.00301 -0.00919 150 3PX -0.00291 0.00729 0.01485 -0.01430 0.02574 151 3PY -0.00120 -0.00026 0.01266 -0.00281 0.00905 152 3PZ -0.00259 0.00498 -0.00067 -0.01855 -0.00178 153 4XX 0.00024 -0.00030 0.00127 0.00119 0.00139 154 4YY -0.00007 0.00036 -0.00064 -0.00103 -0.00063 155 4ZZ 0.00001 0.00038 0.00194 0.00083 0.00185 156 4XY 0.00027 -0.00025 -0.00123 0.00074 -0.00073 157 4XZ -0.00049 0.00107 0.00619 0.00141 0.00555 158 4YZ 0.00025 -0.00040 -0.00130 0.00016 -0.00105 159 15 C 1S -0.00081 0.00108 0.00283 -0.00030 0.00256 160 2S 0.00203 -0.00181 -0.00628 0.00018 -0.00486 161 2PX -0.00961 0.02494 0.07962 0.00869 0.07392 162 2PY 0.00215 -0.00412 -0.01586 -0.00475 -0.01329 163 2PZ -0.00592 0.01178 0.04182 0.00047 0.03685 164 3S 0.00054 0.00015 -0.01601 0.01387 -0.01086 165 3PX -0.00684 0.01759 0.06941 0.01267 0.06699 166 3PY 0.00000 -0.00211 -0.02337 -0.00347 -0.02406 167 3PZ -0.00510 0.00932 0.04610 0.00076 0.03744 168 4XX -0.00013 0.00020 0.00029 -0.00023 0.00057 169 4YY -0.00010 0.00011 -0.00035 -0.00051 -0.00016 170 4ZZ 0.00004 -0.00016 0.00074 0.00118 0.00058 171 4XY 0.00000 0.00028 0.00042 0.00071 -0.00046 172 4XZ -0.00007 0.00010 0.00113 0.00026 0.00087 173 4YZ 0.00005 0.00032 -0.00001 0.00007 -0.00003 174 16 H 1S -0.00021 0.00178 0.00449 0.00132 0.00415 175 2S -0.00032 0.00115 0.01194 0.00115 0.00745 176 17 H 1S 0.00351 -0.00613 -0.01582 -0.01298 -0.00548 177 2S 0.00299 -0.00426 -0.02176 -0.01746 -0.01240 178 18 H 1S 0.00527 -0.00989 -0.02034 -0.00879 -0.00529 179 2S 0.00154 -0.00350 -0.01468 -0.00001 -0.01675 180 19 H 1S -0.00089 0.00093 -0.00030 0.00055 0.00171 181 2S -0.00225 0.00354 0.01051 0.00519 0.00986 182 20 H 1S -0.00158 0.00237 -0.00430 -0.00874 -0.00434 183 2S -0.00290 0.00462 0.00196 -0.01591 0.00488 184 21 H 1S 0.00002 -0.00081 0.00140 0.00105 -0.00024 185 2S -0.00006 -0.00124 -0.00782 0.00046 -0.00694 186 22 H 1S -0.00569 0.01142 0.02669 0.00982 0.01420 187 2S -0.00774 0.01691 0.06151 0.01884 0.03321 188 23 H 1S -0.00017 -0.00011 0.00824 0.00090 0.00462 189 2S -0.00101 0.00165 0.02949 0.00627 0.02402 21 22 23 24 25 21 3S 0.29973 22 3PX 0.06708 0.12473 23 3PY -0.00400 0.03310 0.05430 24 3PZ 0.00052 0.06146 0.02263 0.08174 25 4XX -0.00903 -0.00247 0.00219 0.00351 0.00257 26 4YY -0.00021 -0.00008 -0.00157 -0.00049 -0.00066 27 4ZZ -0.00500 0.00044 0.00161 -0.00234 -0.00051 28 4XY 0.00208 -0.00129 -0.00261 -0.00470 -0.00076 29 4XZ -0.00357 0.00042 -0.00122 0.00012 -0.00029 30 4YZ -0.01236 -0.00582 -0.00152 0.00033 0.00050 31 3 C 1S 0.00659 -0.00869 -0.00707 -0.00110 -0.00090 32 2S -0.00918 0.01919 0.01699 0.00906 0.00265 33 2PX -0.04600 0.02153 0.00387 -0.00787 0.00613 34 2PY 0.01696 0.02818 -0.02953 -0.02186 0.00294 35 2PZ 0.03497 -0.02188 0.00445 -0.00484 -0.00296 36 3S 0.00519 0.02303 0.02300 0.01582 0.00059 37 3PX -0.02794 -0.00700 -0.00175 -0.01561 0.00036 38 3PY 0.00490 0.01051 0.00031 -0.00461 -0.00021 39 3PZ 0.00687 -0.01224 -0.00257 -0.00742 -0.00345 40 4XX -0.00284 -0.00316 -0.00097 0.00061 -0.00048 41 4YY -0.00306 0.00456 -0.00140 -0.00241 0.00034 42 4ZZ 0.00512 -0.00388 0.00126 0.00065 0.00021 43 4XY 0.00068 0.00386 -0.00347 -0.00208 0.00027 44 4XZ -0.00163 0.00126 -0.00087 -0.00070 -0.00104 45 4YZ -0.00114 0.00306 0.00150 0.00113 -0.00104 46 4 O 1S -0.02204 0.00010 0.00839 -0.00190 0.00001 47 2S 0.04462 -0.00142 -0.01356 0.00722 0.00037 48 2PX -0.03899 -0.06130 0.00425 -0.00347 -0.00316 49 2PY -0.12848 -0.02257 0.07207 0.02406 -0.00010 50 2PZ -0.01854 -0.06051 -0.04181 -0.03842 -0.00257 51 3S 0.08733 0.00886 -0.03795 -0.00346 -0.00165 52 3PX -0.03135 -0.05161 -0.00043 -0.01115 -0.00260 53 3PY -0.08186 -0.00997 0.05021 0.01958 -0.00019 54 3PZ -0.02233 -0.05505 -0.03131 -0.03403 -0.00153 55 4XX 0.00069 0.00177 0.00133 0.00260 -0.00003 56 4YY -0.00732 -0.00045 0.00374 0.00171 0.00023 57 4ZZ -0.00196 -0.00144 0.00125 -0.00161 0.00020 58 4XY -0.00006 -0.00314 -0.00169 -0.00009 -0.00042 59 4XZ -0.00026 0.00113 -0.00043 -0.00069 0.00002 60 4YZ 0.00025 0.00006 -0.00031 -0.00022 0.00011 61 5 H 1S -0.07011 -0.00642 0.02494 -0.00021 0.00263 62 2S -0.06765 -0.00799 0.02647 -0.00149 0.00349 63 6 H 1S 0.13427 0.02269 0.03640 -0.06120 -0.00934 64 2S 0.04263 -0.00484 0.02193 -0.05495 -0.00724 65 7 H 1S -0.00400 -0.00738 -0.00321 0.00178 -0.00398 66 2S -0.02480 -0.03243 -0.01792 -0.02142 -0.00782 67 8 O 1S 0.03492 -0.00475 -0.01020 0.00953 -0.00322 68 2S -0.08913 0.01373 0.02120 -0.02437 0.00839 69 2PX 0.03540 -0.03146 0.01152 0.03240 -0.00944 70 2PY -0.06758 -0.02144 0.04808 -0.00628 -0.01046 71 2PZ -0.08964 0.07251 -0.03327 -0.03092 -0.02940 72 3S -0.13468 0.02484 0.01206 -0.02986 0.00468 73 3PX 0.00258 -0.02166 -0.00067 0.00691 -0.00783 74 3PY -0.05256 -0.01952 0.02862 -0.00930 -0.00632 75 3PZ -0.05651 0.03125 -0.02423 -0.02964 -0.02040 76 4XX 0.00520 0.00493 0.00303 0.00340 -0.00032 77 4YY 0.00233 0.00108 -0.00265 0.00113 0.00061 78 4ZZ 0.00370 -0.00568 0.00102 -0.00309 0.00039 79 4XY -0.00425 0.00179 0.00214 -0.00152 0.00057 80 4XZ -0.00578 0.00025 -0.00086 0.00111 0.00006 81 4YZ 0.00522 -0.00470 -0.00169 -0.00029 0.00114 82 9 H 1S 0.03113 -0.01289 0.01181 0.00640 0.00094 83 2S 0.02963 -0.01984 0.00734 0.00350 0.00366 84 10 C 1S 0.00628 0.00386 0.00121 0.00700 -0.00017 85 2S 0.00377 -0.01646 -0.01053 -0.00538 0.00025 86 2PX 0.02069 0.02051 -0.00788 0.00983 -0.00359 87 2PY 0.00929 0.00476 -0.00273 0.00210 -0.00040 88 2PZ -0.00712 0.03438 0.01736 -0.00169 -0.00053 89 3S 0.00523 0.01598 -0.00057 0.00406 -0.00201 90 3PX 0.02069 0.02878 0.00180 0.01374 -0.00154 91 3PY 0.00411 -0.00352 -0.00221 -0.00167 -0.00031 92 3PZ 0.01026 0.01177 0.00331 0.00582 0.00088 93 4XX 0.00014 0.00002 0.00001 -0.00049 -0.00008 94 4YY -0.00167 -0.00135 0.00028 -0.00116 0.00002 95 4ZZ 0.00223 0.00275 0.00112 0.00202 0.00034 96 4XY -0.00139 -0.00429 -0.00220 -0.00254 -0.00016 97 4XZ 0.00138 0.00246 0.00125 0.00261 0.00009 98 4YZ -0.00157 0.00006 0.00037 -0.00142 0.00004 99 11 C 1S 0.01627 0.00364 -0.00002 0.00155 -0.00145 100 2S -0.00058 -0.00783 -0.00570 0.00701 0.00260 101 2PX -0.03824 -0.05824 -0.03774 -0.05986 -0.00450 102 2PY -0.03810 -0.02307 0.00624 -0.01613 -0.00217 103 2PZ 0.00094 -0.04996 -0.02708 -0.01994 -0.00488 104 3S 0.01385 -0.00397 -0.00072 0.01977 0.00638 105 3PX -0.01594 -0.04196 -0.02789 -0.03871 -0.00377 106 3PY -0.01741 -0.00784 -0.00033 -0.01251 -0.00275 107 3PZ -0.01387 -0.03718 -0.02219 -0.02313 -0.00391 108 4XX 0.00247 0.00353 0.00196 0.00187 -0.00016 109 4YY -0.00286 -0.00204 0.00003 -0.00072 0.00001 110 4ZZ 0.00019 0.00070 -0.00085 -0.00039 -0.00010 111 4XY 0.00121 0.00115 0.00007 0.00128 -0.00002 112 4XZ 0.00361 0.00414 0.00154 0.00210 -0.00029 113 4YZ 0.00034 0.00204 0.00065 0.00043 0.00009 114 12 C 1S 0.00752 0.00620 0.00413 0.00045 -0.00102 115 2S -0.01862 -0.00786 -0.00703 -0.00999 0.00157 116 2PX 0.03651 0.01115 0.02235 0.01893 -0.00369 117 2PY -0.00837 0.00189 -0.00382 0.00287 0.00007 118 2PZ 0.02679 0.00121 0.01032 -0.00720 -0.00053 119 3S -0.03284 -0.01694 -0.01115 -0.01681 0.00053 120 3PX 0.01725 -0.00040 0.00820 0.00773 -0.00120 121 3PY -0.01615 -0.01069 -0.00503 -0.00600 -0.00009 122 3PZ 0.01053 0.00266 0.00539 -0.00719 -0.00164 123 4XX 0.00463 0.00474 0.00286 0.00364 0.00008 124 4YY -0.00125 -0.00209 -0.00033 -0.00131 -0.00006 125 4ZZ -0.00270 -0.00276 -0.00257 -0.00178 -0.00011 126 4XY 0.00136 0.00007 0.00068 0.00051 -0.00012 127 4XZ 0.00062 0.00061 0.00055 0.00031 -0.00013 128 4YZ 0.00098 -0.00028 0.00030 -0.00062 -0.00010 129 13 C 1S 0.00590 0.00658 0.00087 0.00574 -0.00012 130 2S -0.00783 -0.01730 -0.00302 -0.00704 0.00019 131 2PX 0.01472 0.01932 -0.00355 0.00955 -0.00068 132 2PY -0.00700 -0.00217 0.00163 -0.00872 0.00028 133 2PZ -0.01729 -0.01183 -0.00358 -0.00538 -0.00014 134 3S -0.02351 -0.04974 -0.01821 -0.03325 -0.00132 135 3PX 0.00234 0.00345 -0.00167 0.00066 -0.00064 136 3PY -0.00615 0.00337 0.00512 -0.00081 0.00024 137 3PZ -0.01200 -0.01093 -0.00281 -0.00581 -0.00021 138 4XX 0.00063 0.00100 -0.00021 0.00097 -0.00006 139 4YY -0.00002 -0.00067 -0.00047 -0.00066 0.00003 140 4ZZ -0.00020 0.00017 0.00081 -0.00019 -0.00002 141 4XY 0.00068 -0.00054 0.00060 0.00011 -0.00007 142 4XZ 0.00133 0.00122 0.00003 0.00086 -0.00001 143 4YZ 0.00091 0.00033 0.00057 0.00004 0.00002 144 14 C 1S -0.00273 0.00469 0.00257 0.00230 -0.00010 145 2S -0.01790 -0.01285 0.00144 -0.01589 0.00008 146 2PX 0.00114 0.00853 0.01041 0.00856 0.00067 147 2PY -0.04084 -0.00807 0.01209 -0.00736 0.00035 148 2PZ -0.00820 0.02081 0.01393 -0.00722 0.00020 149 3S -0.00974 0.00119 0.00634 -0.00801 0.00043 150 3PX 0.00299 0.01712 0.01234 0.01411 0.00098 151 3PY -0.00289 0.00775 0.00362 0.00454 0.00086 152 3PZ -0.00038 0.00678 0.00139 -0.00698 -0.00015 153 4XX 0.00013 0.00033 -0.00014 0.00142 -0.00003 154 4YY 0.00170 -0.00053 -0.00098 -0.00051 -0.00004 155 4ZZ 0.00004 0.00198 0.00133 0.00116 0.00004 156 4XY -0.00048 -0.00048 0.00017 -0.00049 0.00002 157 4XZ 0.00209 0.00506 0.00188 0.00352 0.00011 158 4YZ -0.00116 -0.00053 0.00013 -0.00100 -0.00003 159 15 C 1S 0.00322 0.00175 -0.00071 0.00133 -0.00011 160 2S -0.01717 -0.00019 0.00701 -0.00757 0.00030 161 2PX 0.02583 0.07629 0.03392 0.04358 0.00113 162 2PY -0.00652 -0.02019 -0.00773 -0.00502 -0.00025 163 2PZ 0.04043 0.03053 0.00101 0.03447 0.00034 164 3S -0.01584 -0.01134 0.00543 -0.00497 -0.00046 165 3PX 0.02583 0.06199 0.02752 0.04225 0.00154 166 3PY -0.00757 -0.02274 -0.00859 -0.01209 -0.00065 167 3PZ 0.02020 0.03712 0.01206 0.02569 0.00092 168 4XX 0.00058 0.00019 0.00002 0.00055 0.00000 169 4YY 0.00130 -0.00030 -0.00056 0.00012 0.00004 170 4ZZ -0.00033 0.00036 0.00039 0.00040 0.00008 171 4XY 0.00078 0.00031 -0.00069 0.00021 -0.00016 172 4XZ 0.00070 0.00039 -0.00028 0.00058 -0.00003 173 4YZ -0.00103 0.00091 0.00071 -0.00087 -0.00005 174 16 H 1S -0.00487 0.01027 0.00725 -0.00468 0.00094 175 2S -0.00908 0.01681 0.01081 -0.00448 0.00039 176 17 H 1S -0.02333 -0.01586 0.00394 -0.00445 0.00013 177 2S -0.02506 -0.01979 0.00221 -0.00895 -0.00085 178 18 H 1S -0.03049 -0.00988 -0.01592 -0.00563 0.00064 179 2S -0.02130 -0.00873 -0.01604 -0.00796 -0.00125 180 19 H 1S 0.00695 0.00101 0.00437 0.00150 0.00022 181 2S 0.00816 0.01119 0.01101 0.00609 0.00037 182 20 H 1S 0.01883 -0.00227 -0.00882 -0.00334 -0.00027 183 2S 0.02529 0.00329 -0.00984 0.00171 0.00020 184 21 H 1S 0.00819 -0.00087 -0.00425 0.00481 0.00001 185 2S 0.01022 -0.00998 -0.00992 0.00221 -0.00018 186 22 H 1S 0.02483 0.01504 0.01742 0.01523 -0.00108 187 2S 0.03965 0.03712 0.02692 0.03099 -0.00018 188 23 H 1S 0.00309 0.00533 -0.00560 0.00481 -0.00021 189 2S 0.00910 0.02228 -0.00152 0.01616 0.00068 26 27 28 29 30 26 4YY 0.00122 27 4ZZ -0.00036 0.00177 28 4XY 0.00008 0.00055 0.00157 29 4XZ 0.00086 -0.00049 0.00038 0.00159 30 4YZ -0.00004 0.00000 -0.00056 -0.00008 0.00181 31 3 C 1S 0.00096 -0.00057 -0.00137 -0.00004 0.00181 32 2S -0.00239 0.00111 0.00301 -0.00068 -0.00437 33 2PX -0.00374 0.00264 0.00532 -0.00384 -0.00547 34 2PY -0.00283 0.00156 0.00802 0.00057 -0.00723 35 2PZ 0.00195 -0.00165 -0.00251 0.00166 0.00160 36 3S -0.00173 0.00098 0.00263 0.00112 -0.00502 37 3PX -0.00157 0.00328 0.00344 -0.00084 -0.00130 38 3PY 0.00093 -0.00015 0.00334 0.00257 -0.00314 39 3PZ 0.00071 0.00177 -0.00021 -0.00038 0.00124 40 4XX -0.00031 0.00078 0.00045 -0.00076 0.00012 41 4YY 0.00017 -0.00013 -0.00018 0.00039 -0.00003 42 4ZZ 0.00013 -0.00067 -0.00033 0.00018 0.00020 43 4XY -0.00068 0.00053 0.00051 -0.00063 -0.00023 44 4XZ 0.00015 0.00079 0.00003 0.00020 0.00020 45 4YZ 0.00032 0.00065 0.00033 0.00006 0.00012 46 4 O 1S -0.00112 -0.00027 -0.00006 -0.00024 0.00031 47 2S 0.00166 0.00067 -0.00010 0.00049 -0.00054 48 2PX 0.00309 0.00288 0.00582 0.00024 -0.00542 49 2PY 0.00537 -0.00049 0.00300 0.00140 -0.00364 50 2PZ -0.00238 0.00310 -0.00420 -0.00091 0.00347 51 3S 0.00285 -0.00035 -0.00067 0.00291 -0.00097 52 3PX 0.00146 0.00278 0.00413 0.00006 -0.00252 53 3PY 0.00403 -0.00066 0.00134 0.00124 -0.00270 54 3PZ -0.00135 0.00229 -0.00166 -0.00036 0.00313 55 4XX 0.00007 -0.00004 -0.00054 -0.00008 -0.00008 56 4YY 0.00005 -0.00002 0.00036 -0.00014 -0.00034 57 4ZZ -0.00008 0.00005 0.00011 0.00004 0.00041 58 4XY 0.00039 -0.00016 0.00033 0.00011 -0.00019 59 4XZ -0.00029 0.00022 0.00000 -0.00009 -0.00008 60 4YZ -0.00036 0.00031 -0.00040 -0.00015 0.00004 61 5 H 1S 0.00051 0.00228 -0.00243 -0.00114 0.00701 62 2S -0.00296 0.00487 -0.00041 -0.00217 0.00665 63 6 H 1S -0.00167 0.00675 0.00634 -0.00355 -0.01345 64 2S -0.00147 0.00844 0.00604 -0.00266 -0.01024 65 7 H 1S -0.00002 0.00291 0.00086 -0.00022 0.00136 66 2S 0.00013 0.00705 0.00259 -0.00116 0.00381 67 8 O 1S 0.00182 -0.00090 0.00470 0.00505 -0.00413 68 2S -0.00409 0.00235 -0.01079 -0.01161 0.00922 69 2PX -0.00918 0.01398 -0.00448 -0.02005 0.01220 70 2PY 0.01653 -0.00638 -0.01261 0.01476 0.00927 71 2PZ 0.00565 0.02477 0.01651 0.00340 -0.00084 72 3S -0.00025 0.00267 -0.01469 -0.00972 0.01448 73 3PX -0.00558 0.01124 0.00028 -0.01187 0.00699 74 3PY 0.01096 -0.00436 -0.00711 0.01042 0.00564 75 3PZ 0.00317 0.01746 0.01091 0.00064 0.00083 76 4XX -0.00004 0.00019 -0.00022 -0.00006 -0.00013 77 4YY -0.00085 0.00032 0.00094 -0.00074 -0.00074 78 4ZZ 0.00003 -0.00048 -0.00014 0.00023 -0.00017 79 4XY 0.00024 -0.00030 0.00006 0.00079 -0.00053 80 4XZ 0.00022 -0.00002 0.00024 0.00065 -0.00001 81 4YZ -0.00030 -0.00107 -0.00033 -0.00029 0.00010 82 9 H 1S 0.00056 -0.00334 -0.00174 0.00117 -0.00005 83 2S 0.00073 -0.00572 -0.00256 0.00167 0.00088 84 10 C 1S -0.00029 -0.00095 -0.00007 -0.00034 0.00007 85 2S -0.00008 0.00042 -0.00026 0.00041 -0.00025 86 2PX 0.00185 -0.00117 -0.00515 -0.00639 -0.00503 87 2PY -0.00028 -0.00018 -0.00109 -0.00051 -0.00085 88 2PZ 0.00138 -0.00156 -0.00182 -0.00303 -0.00227 89 3S -0.00025 0.00264 0.00148 -0.00013 -0.00005 90 3PX 0.00116 -0.00164 -0.00405 -0.00435 -0.00456 91 3PY 0.00011 -0.00033 -0.00142 -0.00108 -0.00177 92 3PZ 0.00057 -0.00229 -0.00286 -0.00204 -0.00225 93 4XX 0.00000 0.00003 -0.00001 -0.00014 -0.00004 94 4YY 0.00008 -0.00005 0.00003 -0.00004 -0.00001 95 4ZZ -0.00010 -0.00020 -0.00001 0.00024 -0.00005 96 4XY 0.00001 0.00016 -0.00002 -0.00009 -0.00005 97 4XZ -0.00003 -0.00007 0.00001 0.00012 0.00003 98 4YZ -0.00002 0.00003 -0.00002 0.00001 -0.00003 99 11 C 1S -0.00025 -0.00002 -0.00060 -0.00108 -0.00072 100 2S -0.00060 -0.00077 0.00158 0.00262 0.00176 101 2PX 0.00146 0.00198 -0.00189 -0.00601 -0.00142 102 2PY 0.00225 0.00006 0.00082 -0.00199 0.00062 103 2PZ 0.00099 0.00252 -0.00154 -0.00294 -0.00120 104 3S -0.00161 -0.00388 -0.00038 0.00235 0.00168 105 3PX 0.00109 0.00145 -0.00156 -0.00458 -0.00232 106 3PY 0.00074 0.00224 0.00189 -0.00115 0.00026 107 3PZ 0.00119 0.00186 -0.00098 -0.00211 0.00021 108 4XX -0.00007 0.00014 -0.00005 -0.00007 -0.00008 109 4YY 0.00015 -0.00003 0.00011 0.00007 0.00014 110 4ZZ 0.00002 0.00004 -0.00014 -0.00016 -0.00021 111 4XY -0.00001 -0.00003 -0.00001 0.00011 -0.00003 112 4XZ 0.00009 -0.00001 -0.00024 -0.00027 -0.00044 113 4YZ 0.00000 -0.00010 -0.00002 0.00001 -0.00005 114 12 C 1S 0.00005 -0.00016 -0.00019 0.00002 -0.00076 115 2S -0.00062 -0.00009 0.00037 -0.00007 0.00131 116 2PX 0.00094 0.00063 -0.00065 -0.00012 -0.00182 117 2PY -0.00025 -0.00044 -0.00021 -0.00013 -0.00009 118 2PZ -0.00026 0.00031 0.00053 0.00085 -0.00048 119 3S 0.00010 0.00097 0.00252 0.00241 0.00406 120 3PX -0.00021 0.00054 -0.00016 -0.00067 -0.00018 121 3PY -0.00016 0.00021 -0.00030 -0.00049 0.00080 122 3PZ -0.00010 0.00151 0.00096 -0.00008 -0.00020 123 4XX -0.00005 -0.00012 0.00002 0.00026 -0.00012 124 4YY 0.00005 0.00008 0.00005 -0.00009 0.00007 125 4ZZ 0.00000 0.00012 -0.00006 -0.00026 0.00005 126 4XY 0.00001 0.00004 -0.00003 -0.00001 -0.00007 127 4XZ 0.00004 0.00001 -0.00005 -0.00010 -0.00011 128 4YZ 0.00003 0.00002 0.00003 -0.00002 -0.00001 129 13 C 1S 0.00005 -0.00043 -0.00017 0.00013 -0.00020 130 2S 0.00008 0.00076 0.00072 -0.00013 0.00039 131 2PX 0.00046 -0.00081 -0.00117 0.00000 -0.00086 132 2PY 0.00026 0.00015 -0.00033 -0.00030 0.00029 133 2PZ 0.00027 0.00080 -0.00008 0.00001 0.00017 134 3S -0.00051 0.00260 0.00093 -0.00191 0.00113 135 3PX 0.00060 -0.00021 -0.00002 0.00029 -0.00053 136 3PY 0.00012 -0.00006 -0.00104 -0.00101 -0.00020 137 3PZ -0.00002 0.00076 -0.00008 -0.00045 0.00033 138 4XX 0.00007 -0.00007 -0.00035 -0.00009 -0.00034 139 4YY -0.00001 0.00001 0.00013 0.00005 0.00013 140 4ZZ -0.00003 0.00003 0.00023 0.00006 0.00018 141 4XY 0.00001 0.00004 0.00004 0.00000 -0.00001 142 4XZ 0.00003 -0.00007 -0.00002 0.00002 -0.00002 143 4YZ -0.00003 -0.00001 -0.00005 0.00000 -0.00007 144 14 C 1S 0.00014 -0.00016 0.00029 0.00012 0.00043 145 2S -0.00011 0.00093 -0.00009 -0.00031 -0.00030 146 2PX -0.00040 0.00007 0.00546 0.00234 0.00522 147 2PY -0.00008 0.00083 -0.00217 -0.00092 -0.00158 148 2PZ -0.00049 -0.00005 0.00308 0.00171 0.00311 149 3S 0.00088 -0.00051 0.00001 0.00077 -0.00202 150 3PX -0.00024 -0.00054 0.00373 0.00234 0.00404 151 3PY 0.00030 -0.00100 -0.00080 0.00078 -0.00121 152 3PZ -0.00009 -0.00011 0.00275 0.00178 0.00259 153 4XX 0.00002 0.00000 -0.00022 -0.00009 -0.00017 154 4YY -0.00001 0.00001 0.00012 0.00006 0.00007 155 4ZZ -0.00003 -0.00004 -0.00002 -0.00003 0.00005 156 4XY -0.00003 0.00007 0.00009 -0.00008 0.00009 157 4XZ 0.00004 -0.00023 -0.00026 -0.00006 -0.00011 158 4YZ -0.00003 0.00008 0.00010 0.00001 0.00008 159 15 C 1S -0.00013 -0.00033 -0.00019 -0.00001 -0.00005 160 2S 0.00012 0.00043 0.00064 0.00032 0.00062 161 2PX 0.00060 -0.00323 -0.00062 -0.00079 0.00010 162 2PY 0.00051 0.00056 0.00022 -0.00004 0.00000 163 2PZ 0.00067 -0.00212 -0.00096 -0.00078 -0.00077 164 3S 0.00001 0.00080 -0.00111 -0.00195 -0.00064 165 3PX 0.00039 -0.00298 -0.00146 -0.00054 -0.00051 166 3PY 0.00041 0.00042 -0.00024 -0.00065 -0.00063 167 3PZ 0.00063 -0.00198 -0.00013 0.00062 -0.00050 168 4XX 0.00001 -0.00004 0.00005 0.00002 0.00004 169 4YY 0.00000 -0.00003 0.00008 0.00006 0.00008 170 4ZZ 0.00000 -0.00006 -0.00023 -0.00007 -0.00020 171 4XY 0.00008 -0.00002 -0.00031 -0.00031 -0.00030 172 4XZ 0.00003 -0.00005 -0.00019 -0.00005 -0.00021 173 4YZ 0.00004 -0.00001 -0.00002 -0.00011 -0.00004 174 16 H 1S -0.00008 -0.00042 0.00001 0.00034 -0.00014 175 2S -0.00004 0.00006 0.00063 0.00061 0.00044 176 17 H 1S 0.00115 -0.00051 0.00129 0.00029 0.00132 177 2S 0.00170 -0.00047 0.00010 -0.00036 0.00092 178 18 H 1S -0.00016 0.00013 -0.00028 -0.00112 0.00061 179 2S 0.00008 0.00120 -0.00041 -0.00224 -0.00075 180 19 H 1S -0.00037 -0.00001 0.00092 0.00021 0.00054 181 2S -0.00044 -0.00021 0.00096 0.00034 0.00087 182 20 H 1S 0.00011 -0.00015 0.00109 0.00042 0.00054 183 2S 0.00003 -0.00073 0.00139 0.00109 0.00106 184 21 H 1S 0.00001 -0.00010 -0.00040 -0.00019 -0.00037 185 2S -0.00014 0.00003 -0.00092 -0.00060 -0.00057 186 22 H 1S 0.00009 -0.00012 -0.00011 0.00077 -0.00087 187 2S 0.00024 -0.00138 -0.00081 0.00156 -0.00221 188 23 H 1S 0.00033 -0.00032 -0.00128 -0.00034 -0.00108 189 2S 0.00028 -0.00144 -0.00305 -0.00062 -0.00220 31 32 33 34 35 31 3 C 1S 2.04988 32 2S -0.06565 0.34507 33 2PX 0.01935 -0.03141 0.38992 34 2PY 0.00000 0.00000 0.00000 0.29478 35 2PZ -0.00691 0.01463 0.02504 -0.00001 0.46072 36 3S -0.14934 0.26010 -0.06913 0.00000 0.01022 37 3PX 0.01725 -0.03492 0.12989 0.00000 -0.00345 38 3PY 0.00000 0.00000 0.00000 0.07132 0.00000 39 3PZ -0.00162 0.00465 0.00310 0.00000 0.16103 40 4XX -0.01697 -0.00181 -0.00430 0.00000 -0.01505 41 4YY -0.01319 -0.01006 0.02120 0.00000 -0.00792 42 4ZZ -0.01826 0.00097 -0.01465 0.00000 0.02223 43 4XY 0.00000 0.00000 0.00000 0.02764 0.00000 44 4XZ -0.00017 -0.00018 -0.01750 0.00000 -0.01529 45 4YZ 0.00000 0.00000 0.00000 -0.01018 0.00000 46 4 O 1S 0.00368 -0.00203 -0.02027 0.02801 0.00807 47 2S -0.00672 0.00297 0.04948 -0.06705 -0.01881 48 2PX 0.03470 -0.07271 -0.09688 0.17472 0.03595 49 2PY -0.05992 0.13211 0.18918 -0.22060 -0.06963 50 2PZ -0.01056 0.01808 0.03500 -0.06339 -0.01037 51 3S 0.01957 -0.05250 0.03486 -0.03409 -0.01699 52 3PX 0.01125 -0.02666 -0.05639 0.07987 0.00577 53 3PY -0.03577 0.07755 0.11135 -0.13354 -0.03805 54 3PZ -0.00085 -0.00022 0.00520 -0.02262 -0.02126 55 4XX -0.00075 0.00110 -0.00914 0.00066 -0.00076 56 4YY -0.00707 0.01324 0.01503 -0.01035 -0.00494 57 4ZZ 0.00146 -0.00268 -0.00327 0.00276 0.00639 58 4XY 0.00478 -0.00902 -0.00117 0.00632 0.00327 59 4XZ 0.00072 -0.00063 0.00111 -0.00043 -0.00699 60 4YZ -0.00109 0.00218 0.00149 0.00046 0.00678 61 5 H 1S -0.00639 0.01742 0.02347 -0.02367 -0.00882 62 2S -0.00664 0.01862 0.03204 -0.02340 -0.02334 63 6 H 1S -0.00639 0.01742 0.02347 0.02368 -0.00882 64 2S -0.00664 0.01862 0.03204 0.02340 -0.02333 65 7 H 1S -0.05869 0.11885 -0.21464 0.00000 -0.17358 66 2S -0.00827 0.02349 -0.17719 0.00000 -0.16449 67 8 O 1S 0.00368 -0.00203 -0.02027 -0.02801 0.00807 68 2S -0.00672 0.00297 0.04948 0.06706 -0.01880 69 2PX 0.03470 -0.07271 -0.09687 -0.17472 0.03593 70 2PY 0.05992 -0.13212 -0.18918 -0.22063 0.06962 71 2PZ -0.01055 0.01807 0.03499 0.06337 -0.01036 72 3S 0.01957 -0.05251 0.03486 0.03409 -0.01699 73 3PX 0.01125 -0.02666 -0.05639 -0.07987 0.00576 74 3PY 0.03577 -0.07755 -0.11134 -0.13355 0.03804 75 3PZ -0.00085 -0.00023 0.00519 0.02261 -0.02126 76 4XX -0.00075 0.00110 -0.00914 -0.00066 -0.00076 77 4YY -0.00707 0.01324 0.01503 0.01036 -0.00494 78 4ZZ 0.00146 -0.00268 -0.00327 -0.00276 0.00639 79 4XY -0.00478 0.00902 0.00117 0.00632 -0.00327 80 4XZ 0.00072 -0.00063 0.00111 0.00043 -0.00699 81 4YZ 0.00109 -0.00218 -0.00149 0.00046 -0.00679 82 9 H 1S -0.06049 0.12724 -0.04996 -0.00001 0.27569 83 2S -0.01310 0.03867 -0.02097 -0.00001 0.22749 84 10 C 1S -0.00021 0.00045 0.00019 0.00002 0.00044 85 2S 0.00037 -0.00093 0.00090 0.00104 0.00038 86 2PX -0.00255 0.01070 0.00184 -0.01261 0.00407 87 2PY -0.00074 0.00231 0.00183 -0.00063 -0.00065 88 2PZ -0.00130 0.00345 -0.00043 -0.00513 -0.00103 89 3S 0.00095 0.00127 0.00188 0.00091 -0.00741 90 3PX -0.00300 0.01040 0.00523 -0.00692 0.00286 91 3PY -0.00022 0.00173 0.00230 -0.00236 -0.00161 92 3PZ -0.00183 0.00465 0.00312 -0.00256 0.00213 93 4XX -0.00009 0.00005 0.00001 -0.00017 0.00037 94 4YY 0.00002 -0.00008 0.00020 0.00003 0.00024 95 4ZZ -0.00012 0.00036 0.00074 0.00072 -0.00003 96 4XY 0.00007 -0.00038 -0.00013 -0.00085 -0.00004 97 4XZ -0.00017 0.00037 0.00031 0.00048 -0.00002 98 4YZ 0.00003 -0.00012 0.00002 -0.00029 -0.00005 99 11 C 1S 0.00027 -0.00037 -0.00136 -0.00231 -0.00019 100 2S 0.00024 -0.00033 0.00248 0.00450 0.00111 101 2PX 0.00298 -0.00788 -0.01145 -0.02133 0.00274 102 2PY 0.00030 -0.00138 -0.00154 -0.00325 0.00073 103 2PZ 0.00114 -0.00187 -0.00334 -0.00770 0.00114 104 3S -0.00368 0.00582 0.01153 0.01392 0.00543 105 3PX 0.00193 -0.00377 -0.00373 -0.01392 0.00371 106 3PY 0.00126 -0.00123 -0.00220 0.00029 -0.00570 107 3PZ 0.00180 -0.00621 -0.01195 -0.01122 0.00117 108 4XX 0.00012 -0.00003 -0.00057 -0.00046 -0.00027 109 4YY 0.00016 -0.00029 0.00007 0.00011 0.00020 110 4ZZ 0.00000 0.00021 0.00019 -0.00036 0.00013 111 4XY -0.00009 0.00009 0.00001 0.00032 -0.00026 112 4XZ -0.00028 0.00103 0.00039 -0.00031 -0.00035 113 4YZ -0.00002 0.00011 0.00014 0.00006 -0.00013 114 12 C 1S -0.00054 0.00146 0.00150 0.00098 -0.00051 115 2S 0.00085 -0.00316 -0.00258 -0.00132 0.00143 116 2PX -0.00145 0.00494 0.00379 0.00601 -0.00241 117 2PY 0.00079 -0.00162 -0.00212 -0.00249 0.00040 118 2PZ 0.00008 -0.00042 0.00053 0.00263 -0.00198 119 3S 0.00408 -0.01164 -0.01698 -0.00750 0.00015 120 3PX -0.00122 0.00217 0.00153 0.00584 -0.00061 121 3PY 0.00091 -0.00357 -0.00550 -0.00294 0.00067 122 3PZ 0.00031 -0.00058 -0.00192 0.00001 -0.00484 123 4XX -0.00031 0.00073 0.00097 0.00137 -0.00043 124 4YY 0.00000 -0.00023 -0.00021 -0.00013 0.00010 125 4ZZ 0.00011 -0.00036 -0.00065 -0.00087 0.00016 126 4XY 0.00001 0.00000 0.00000 0.00032 -0.00004 127 4XZ -0.00012 0.00023 0.00023 0.00014 -0.00011 128 4YZ 0.00000 -0.00009 -0.00020 0.00001 -0.00009 129 13 C 1S -0.00054 0.00146 0.00150 -0.00098 -0.00051 130 2S 0.00085 -0.00316 -0.00258 0.00132 0.00143 131 2PX -0.00145 0.00494 0.00379 -0.00601 -0.00241 132 2PY -0.00079 0.00162 0.00213 -0.00249 -0.00040 133 2PZ 0.00008 -0.00042 0.00053 -0.00262 -0.00198 134 3S 0.00408 -0.01164 -0.01698 0.00750 0.00015 135 3PX -0.00122 0.00217 0.00153 -0.00584 -0.00061 136 3PY -0.00091 0.00357 0.00550 -0.00294 -0.00067 137 3PZ 0.00031 -0.00058 -0.00192 -0.00001 -0.00484 138 4XX -0.00031 0.00073 0.00097 -0.00137 -0.00043 139 4YY 0.00000 -0.00023 -0.00021 0.00013 0.00010 140 4ZZ 0.00011 -0.00036 -0.00065 0.00087 0.00016 141 4XY -0.00001 0.00000 0.00000 0.00032 0.00004 142 4XZ -0.00012 0.00023 0.00023 -0.00014 -0.00011 143 4YZ 0.00000 0.00009 0.00020 0.00001 0.00009 144 14 C 1S 0.00027 -0.00037 -0.00136 0.00231 -0.00019 145 2S 0.00024 -0.00033 0.00248 -0.00450 0.00111 146 2PX 0.00298 -0.00788 -0.01145 0.02133 0.00274 147 2PY -0.00030 0.00138 0.00154 -0.00326 -0.00073 148 2PZ 0.00114 -0.00187 -0.00334 0.00770 0.00114 149 3S -0.00368 0.00582 0.01153 -0.01392 0.00543 150 3PX 0.00193 -0.00377 -0.00373 0.01392 0.00371 151 3PY -0.00126 0.00123 0.00221 0.00028 0.00570 152 3PZ 0.00180 -0.00621 -0.01195 0.01122 0.00117 153 4XX 0.00012 -0.00003 -0.00057 0.00046 -0.00027 154 4YY 0.00016 -0.00029 0.00007 -0.00011 0.00020 155 4ZZ 0.00000 0.00021 0.00019 0.00036 0.00013 156 4XY 0.00009 -0.00009 -0.00001 0.00032 0.00026 157 4XZ -0.00028 0.00103 0.00039 0.00031 -0.00035 158 4YZ 0.00002 -0.00011 -0.00014 0.00006 0.00013 159 15 C 1S -0.00021 0.00045 0.00019 -0.00002 0.00044 160 2S 0.00037 -0.00093 0.00090 -0.00104 0.00038 161 2PX -0.00255 0.01070 0.00184 0.01261 0.00407 162 2PY 0.00074 -0.00231 -0.00183 -0.00063 0.00065 163 2PZ -0.00130 0.00345 -0.00043 0.00513 -0.00103 164 3S 0.00095 0.00127 0.00187 -0.00091 -0.00742 165 3PX -0.00300 0.01040 0.00523 0.00692 0.00286 166 3PY 0.00022 -0.00173 -0.00230 -0.00236 0.00161 167 3PZ -0.00183 0.00465 0.00312 0.00256 0.00213 168 4XX -0.00009 0.00005 0.00001 0.00017 0.00037 169 4YY 0.00002 -0.00008 0.00020 -0.00003 0.00024 170 4ZZ -0.00012 0.00036 0.00074 -0.00072 -0.00003 171 4XY -0.00007 0.00038 0.00013 -0.00085 0.00004 172 4XZ -0.00017 0.00037 0.00031 -0.00048 -0.00002 173 4YZ -0.00003 0.00012 -0.00002 -0.00028 0.00005 174 16 H 1S -0.00011 -0.00046 0.00046 0.00124 -0.00164 175 2S 0.00008 -0.00106 -0.00132 0.00019 0.00139 176 17 H 1S 0.00010 -0.00066 0.00114 0.00164 0.00106 177 2S 0.00086 -0.00313 -0.00343 -0.00631 0.00331 178 18 H 1S 0.00065 -0.00191 -0.00270 -0.00507 0.00138 179 2S 0.00001 0.00066 -0.00041 -0.00585 -0.00251 180 19 H 1S 0.00065 -0.00191 -0.00270 0.00507 0.00138 181 2S 0.00001 0.00066 -0.00041 0.00585 -0.00251 182 20 H 1S 0.00010 -0.00066 0.00114 -0.00163 0.00106 183 2S 0.00086 -0.00313 -0.00343 0.00631 0.00331 184 21 H 1S -0.00011 -0.00046 0.00046 -0.00124 -0.00164 185 2S 0.00008 -0.00106 -0.00132 -0.00019 0.00139 186 22 H 1S -0.00085 0.00272 0.00322 0.00622 -0.00156 187 2S -0.00217 0.00712 0.00980 0.00907 -0.00118 188 23 H 1S -0.00085 0.00272 0.00322 -0.00622 -0.00156 189 2S -0.00217 0.00712 0.00980 -0.00907 -0.00118 36 37 38 39 40 36 3S 0.23162 37 3PX -0.03445 0.05548 38 3PY 0.00000 0.00000 0.02777 39 3PZ -0.00045 0.00132 0.00000 0.06559 40 4XX -0.00001 0.00078 0.00000 -0.00236 0.00243 41 4YY -0.01252 0.00632 0.00000 -0.00359 -0.00114 42 4ZZ 0.00474 -0.00611 0.00000 0.00601 -0.00063 43 4XY 0.00000 0.00000 0.00411 0.00000 0.00000 44 4XZ 0.00242 -0.00337 0.00000 -0.00255 0.00114 45 4YZ 0.00000 0.00000 -0.00225 0.00000 0.00000 46 4 O 1S 0.02965 0.00241 0.00259 -0.00277 0.00099 47 2S -0.07504 -0.00617 -0.00242 0.00520 -0.00186 48 2PX -0.04357 -0.01034 0.07793 0.04616 0.02081 49 2PY 0.09851 0.06250 -0.01594 -0.02574 0.00948 50 2PZ 0.00492 0.04482 -0.01981 0.04519 0.01054 51 3S -0.13434 -0.01247 0.00765 0.01192 -0.00485 52 3PX -0.01208 -0.00013 0.04104 0.02741 0.01459 53 3PY 0.05908 0.03572 -0.00585 -0.01361 0.00613 54 3PZ -0.00684 0.02735 -0.00585 0.02750 0.00906 55 4XX 0.00253 -0.00327 -0.00023 0.00008 0.00018 56 4YY 0.00995 0.00460 -0.00088 -0.00198 0.00064 57 4ZZ -0.00061 -0.00084 0.00006 0.00090 -0.00056 58 4XY -0.00667 0.00074 0.00320 0.00251 0.00093 59 4XZ 0.00039 0.00116 -0.00090 -0.00266 0.00004 60 4YZ 0.00166 0.00140 -0.00068 0.00418 -0.00001 61 5 H 1S 0.02692 0.01896 -0.01605 0.00207 0.00020 62 2S 0.02466 0.02622 -0.01285 0.00066 0.00292 63 6 H 1S 0.02692 0.01896 0.01605 0.00208 0.00020 64 2S 0.02466 0.02622 0.01285 0.00066 0.00292 65 7 H 1S 0.11411 -0.06668 0.00000 -0.04680 0.01188 66 2S 0.03153 -0.03658 0.00000 -0.02964 0.01581 67 8 O 1S 0.02965 0.00241 -0.00259 -0.00277 0.00099 68 2S -0.07504 -0.00617 0.00242 0.00520 -0.00186 69 2PX -0.04357 -0.01034 -0.07794 0.04615 0.02081 70 2PY -0.09851 -0.06250 -0.01595 0.02574 -0.00948 71 2PZ 0.00491 0.04481 0.01980 0.04519 0.01054 72 3S -0.13434 -0.01247 -0.00765 0.01192 -0.00485 73 3PX -0.01208 -0.00013 -0.04105 0.02741 0.01459 74 3PY -0.05908 -0.03572 -0.00586 0.01361 -0.00613 75 3PZ -0.00684 0.02734 0.00585 0.02750 0.00906 76 4XX 0.00253 -0.00327 0.00023 0.00008 0.00018 77 4YY 0.00996 0.00460 0.00088 -0.00198 0.00064 78 4ZZ -0.00061 -0.00084 -0.00006 0.00090 -0.00056 79 4XY 0.00667 -0.00074 0.00320 -0.00251 -0.00093 80 4XZ 0.00039 0.00116 0.00090 -0.00266 0.00004 81 4YZ -0.00166 -0.00140 -0.00067 -0.00418 0.00001 82 9 H 1S 0.10522 -0.03673 0.00000 0.08871 -0.01009 83 2S 0.03140 -0.02456 0.00000 0.06330 -0.01137 84 10 C 1S 0.00163 0.00074 -0.00013 0.00020 -0.00009 85 2S -0.00175 -0.00010 0.00005 -0.00051 -0.00044 86 2PX 0.00664 -0.02492 -0.01587 0.00433 -0.00044 87 2PY 0.00142 -0.00074 -0.00147 -0.00234 -0.00025 88 2PZ 0.00527 -0.00664 -0.00357 -0.00296 -0.00041 89 3S 0.00125 0.00035 0.00330 0.00190 0.00161 90 3PX 0.00937 -0.01783 -0.00998 -0.00053 -0.00123 91 3PY 0.00196 -0.00139 -0.00365 -0.00216 -0.00034 92 3PZ 0.00541 -0.00728 -0.00533 -0.00403 -0.00156 93 4XX 0.00004 0.00007 -0.00030 0.00023 0.00007 94 4YY -0.00007 -0.00005 -0.00019 -0.00008 -0.00006 95 4ZZ 0.00060 0.00013 0.00076 -0.00071 -0.00019 96 4XY -0.00040 0.00075 -0.00114 0.00007 0.00006 97 4XZ 0.00059 -0.00011 0.00051 -0.00021 -0.00005 98 4YZ -0.00008 0.00037 -0.00010 -0.00012 -0.00002 99 11 C 1S -0.00011 -0.00091 -0.00177 0.00031 0.00038 100 2S -0.00143 0.00222 0.00297 -0.00114 -0.00037 101 2PX -0.01460 -0.00299 -0.02402 0.01039 0.00278 102 2PY -0.00082 -0.00133 -0.00634 0.00087 0.00051 103 2PZ -0.00542 -0.00394 -0.01165 0.00566 0.00110 104 3S 0.00443 0.00017 0.00332 -0.00744 -0.00272 105 3PX -0.00691 -0.00163 -0.01832 0.00652 0.00166 106 3PY -0.00086 0.00249 -0.00133 0.00362 0.00214 107 3PZ -0.00892 -0.00283 -0.01093 0.00588 0.00123 108 4XX 0.00036 -0.00001 0.00026 0.00012 0.00011 109 4YY -0.00018 0.00014 -0.00009 0.00009 0.00000 110 4ZZ 0.00015 -0.00032 -0.00034 0.00010 -0.00001 111 4XY 0.00023 0.00005 0.00020 -0.00030 -0.00007 112 4XZ 0.00132 -0.00112 -0.00033 -0.00019 -0.00008 113 4YZ 0.00028 0.00004 0.00009 -0.00027 -0.00004 114 12 C 1S 0.00214 -0.00085 0.00014 -0.00081 -0.00030 115 2S -0.00368 0.00243 -0.00061 0.00134 0.00069 116 2PX 0.00726 -0.00254 0.00593 -0.00148 -0.00092 117 2PY -0.00447 -0.00088 -0.00186 0.00002 -0.00011 118 2PZ -0.00090 0.00502 0.00317 0.00104 0.00026 119 3S -0.01289 0.00459 0.00562 0.00581 0.00219 120 3PX 0.00265 -0.00042 0.00172 0.00013 0.00009 121 3PY -0.00542 0.00044 -0.00378 0.00114 0.00032 122 3PZ -0.00071 0.00326 0.00148 0.00192 0.00111 123 4XX 0.00106 0.00011 0.00128 -0.00064 -0.00020 124 4YY -0.00024 0.00020 -0.00032 0.00019 0.00009 125 4ZZ -0.00076 -0.00032 -0.00110 0.00051 0.00017 126 4XY -0.00002 -0.00003 0.00037 0.00001 0.00000 127 4XZ 0.00033 -0.00014 0.00001 -0.00010 -0.00003 128 4YZ -0.00014 -0.00003 0.00000 0.00010 0.00004 129 13 C 1S 0.00214 -0.00085 -0.00014 -0.00081 -0.00030 130 2S -0.00368 0.00243 0.00061 0.00134 0.00069 131 2PX 0.00726 -0.00254 -0.00593 -0.00148 -0.00092 132 2PY 0.00447 0.00088 -0.00186 -0.00003 0.00011 133 2PZ -0.00090 0.00502 -0.00317 0.00104 0.00026 134 3S -0.01289 0.00459 -0.00562 0.00581 0.00219 135 3PX 0.00265 -0.00042 -0.00172 0.00012 0.00008 136 3PY 0.00542 -0.00044 -0.00377 -0.00114 -0.00032 137 3PZ -0.00071 0.00325 -0.00148 0.00192 0.00111 138 4XX 0.00106 0.00011 -0.00128 -0.00064 -0.00020 139 4YY -0.00024 0.00020 0.00032 0.00019 0.00009 140 4ZZ -0.00076 -0.00032 0.00110 0.00051 0.00017 141 4XY 0.00002 0.00003 0.00037 -0.00001 0.00000 142 4XZ 0.00033 -0.00014 -0.00001 -0.00010 -0.00003 143 4YZ 0.00014 0.00003 0.00000 -0.00010 -0.00004 144 14 C 1S -0.00011 -0.00091 0.00177 0.00031 0.00038 145 2S -0.00143 0.00222 -0.00297 -0.00114 -0.00037 146 2PX -0.01460 -0.00299 0.02402 0.01039 0.00278 147 2PY 0.00083 0.00133 -0.00634 -0.00087 -0.00051 148 2PZ -0.00542 -0.00394 0.01165 0.00566 0.00110 149 3S 0.00443 0.00017 -0.00332 -0.00744 -0.00272 150 3PX -0.00691 -0.00163 0.01832 0.00652 0.00166 151 3PY 0.00086 -0.00249 -0.00133 -0.00363 -0.00215 152 3PZ -0.00892 -0.00283 0.01093 0.00588 0.00123 153 4XX 0.00036 -0.00001 -0.00026 0.00012 0.00011 154 4YY -0.00018 0.00014 0.00009 0.00009 0.00000 155 4ZZ 0.00015 -0.00032 0.00034 0.00010 -0.00001 156 4XY -0.00023 -0.00005 0.00020 0.00030 0.00007 157 4XZ 0.00132 -0.00112 0.00033 -0.00019 -0.00008 158 4YZ -0.00028 -0.00004 0.00009 0.00027 0.00004 159 15 C 1S 0.00163 0.00074 0.00013 0.00020 -0.00009 160 2S -0.00175 -0.00010 -0.00005 -0.00051 -0.00044 161 2PX 0.00664 -0.02492 0.01587 0.00434 -0.00044 162 2PY -0.00142 0.00074 -0.00147 0.00234 0.00025 163 2PZ 0.00527 -0.00664 0.00357 -0.00295 -0.00041 164 3S 0.00125 0.00035 -0.00330 0.00190 0.00161 165 3PX 0.00937 -0.01783 0.00998 -0.00053 -0.00123 166 3PY -0.00196 0.00139 -0.00365 0.00216 0.00034 167 3PZ 0.00541 -0.00728 0.00533 -0.00403 -0.00156 168 4XX 0.00004 0.00007 0.00030 0.00023 0.00007 169 4YY -0.00007 -0.00005 0.00019 -0.00008 -0.00006 170 4ZZ 0.00060 0.00013 -0.00076 -0.00071 -0.00019 171 4XY 0.00040 -0.00075 -0.00114 -0.00007 -0.00006 172 4XZ 0.00059 -0.00012 -0.00051 -0.00021 -0.00005 173 4YZ 0.00008 -0.00037 -0.00010 0.00013 0.00002 174 16 H 1S 0.00059 0.00267 0.00270 -0.00340 -0.00036 175 2S -0.00065 0.00264 0.00379 -0.00048 -0.00001 176 17 H 1S -0.00023 0.00044 -0.00108 -0.00048 -0.00008 177 2S -0.00302 -0.00209 -0.00436 0.00069 -0.00033 178 18 H 1S -0.00318 -0.00186 -0.00537 0.00104 0.00052 179 2S -0.00051 -0.00212 -0.00796 0.00150 0.00096 180 19 H 1S -0.00317 -0.00186 0.00537 0.00104 0.00052 181 2S -0.00051 -0.00212 0.00796 0.00150 0.00096 182 20 H 1S -0.00023 0.00044 0.00108 -0.00048 -0.00008 183 2S -0.00302 -0.00209 0.00436 0.00069 -0.00033 184 21 H 1S 0.00059 0.00267 -0.00270 -0.00340 -0.00036 185 2S -0.00065 0.00264 -0.00379 -0.00048 -0.00001 186 22 H 1S 0.00386 -0.00003 0.00695 -0.00187 -0.00081 187 2S 0.00946 -0.00267 0.01008 -0.00586 -0.00244 188 23 H 1S 0.00386 -0.00003 -0.00695 -0.00187 -0.00081 189 2S 0.00946 -0.00267 -0.01008 -0.00586 -0.00244 41 42 43 44 45 41 4YY 0.00355 42 4ZZ -0.00161 0.00259 43 4XY 0.00000 0.00000 0.00351 44 4XZ -0.00048 -0.00084 0.00000 0.00234 45 4YZ 0.00000 0.00000 -0.00055 0.00000 0.00183 46 4 O 1S -0.00619 0.00363 0.00596 0.00064 -0.00161 47 2S 0.01488 -0.00782 -0.01406 -0.00192 0.00409 48 2PX -0.02163 0.00450 0.00416 0.00781 -0.01289 49 2PY -0.00439 -0.00733 -0.02790 -0.00848 0.00887 50 2PZ 0.00454 -0.01650 -0.01233 0.01795 -0.02081 51 3S 0.02277 -0.01118 -0.01300 0.00159 0.00067 52 3PX -0.01356 0.00074 -0.00047 0.00694 -0.00860 53 3PY -0.00340 -0.00409 -0.01782 -0.00506 0.00511 54 3PZ 0.00146 -0.01070 -0.00718 0.01304 -0.01492 55 4XX -0.00055 0.00024 0.00004 0.00057 -0.00022 56 4YY -0.00033 -0.00056 -0.00123 -0.00071 0.00036 57 4ZZ -0.00034 0.00092 0.00065 -0.00050 0.00038 58 4XY -0.00083 0.00020 0.00007 0.00009 -0.00046 59 4XZ 0.00034 -0.00049 0.00026 0.00035 0.00001 60 4YZ 0.00022 -0.00038 -0.00008 0.00059 -0.00096 61 5 H 1S -0.00001 -0.00167 -0.00039 0.00197 -0.00185 62 2S -0.00055 -0.00352 -0.00063 0.00320 -0.00224 63 6 H 1S -0.00001 -0.00167 0.00039 0.00196 0.00185 64 2S -0.00055 -0.00352 0.00063 0.00320 0.00224 65 7 H 1S -0.01320 -0.00198 0.00000 0.01732 0.00000 66 2S -0.01024 -0.00599 0.00000 0.01984 0.00000 67 8 O 1S -0.00619 0.00363 -0.00596 0.00064 0.00161 68 2S 0.01488 -0.00782 0.01406 -0.00192 -0.00409 69 2PX -0.02163 0.00450 -0.00416 0.00781 0.01289 70 2PY 0.00439 0.00733 -0.02791 0.00848 0.00887 71 2PZ 0.00454 -0.01650 0.01232 0.01795 0.02082 72 3S 0.02277 -0.01118 0.01300 0.00159 -0.00066 73 3PX -0.01356 0.00074 0.00047 0.00694 0.00860 74 3PY 0.00339 0.00409 -0.01783 0.00506 0.00511 75 3PZ 0.00146 -0.01070 0.00717 0.01304 0.01492 76 4XX -0.00055 0.00024 -0.00004 0.00057 0.00022 77 4YY -0.00033 -0.00056 0.00123 -0.00071 -0.00036 78 4ZZ -0.00034 0.00092 -0.00065 -0.00050 -0.00039 79 4XY 0.00083 -0.00020 0.00007 -0.00009 -0.00046 80 4XZ 0.00034 -0.00049 -0.00026 0.00035 -0.00001 81 4YZ -0.00022 0.00038 -0.00008 -0.00059 -0.00096 82 9 H 1S -0.01175 0.01845 0.00000 -0.00997 0.00000 83 2S -0.00629 0.01677 0.00000 -0.01244 0.00000 84 10 C 1S 0.00010 -0.00004 -0.00002 -0.00017 -0.00001 85 2S 0.00015 0.00045 -0.00011 -0.00039 -0.00058 86 2PX -0.00024 -0.00040 0.00120 -0.00042 0.00206 87 2PY 0.00000 -0.00004 0.00009 -0.00028 -0.00005 88 2PZ -0.00017 -0.00036 0.00047 -0.00030 0.00072 89 3S -0.00058 -0.00114 0.00034 0.00144 0.00193 90 3PX 0.00008 0.00005 0.00088 -0.00114 0.00131 91 3PY 0.00009 0.00003 -0.00002 -0.00035 -0.00034 92 3PZ 0.00036 0.00055 0.00038 -0.00147 -0.00071 93 4XX -0.00007 0.00000 0.00005 0.00000 0.00005 94 4YY 0.00001 0.00006 0.00001 -0.00009 -0.00002 95 4ZZ 0.00006 0.00007 -0.00007 -0.00016 -0.00013 96 4XY -0.00001 0.00001 0.00009 0.00003 0.00014 97 4XZ 0.00003 0.00000 -0.00002 -0.00003 -0.00003 98 4YZ 0.00001 0.00002 0.00002 -0.00001 0.00003 99 11 C 1S -0.00008 -0.00012 0.00018 0.00032 0.00046 100 2S 0.00011 0.00031 -0.00052 -0.00043 -0.00087 101 2PX -0.00156 -0.00053 0.00176 0.00163 0.00279 102 2PY -0.00022 -0.00017 0.00062 0.00015 0.00053 103 2PZ -0.00039 -0.00010 0.00084 0.00077 0.00119 104 3S 0.00080 0.00178 0.00033 -0.00332 -0.00359 105 3PX -0.00111 -0.00018 0.00147 0.00067 0.00202 106 3PY -0.00083 -0.00126 0.00048 0.00188 0.00136 107 3PZ -0.00030 -0.00035 0.00065 0.00154 0.00160 108 4XX -0.00008 -0.00006 -0.00003 0.00013 0.00013 109 4YY 0.00002 0.00000 -0.00001 -0.00001 -0.00004 110 4ZZ 0.00000 -0.00003 0.00002 0.00001 0.00006 111 4XY 0.00007 -0.00001 0.00002 0.00000 0.00000 112 4XZ 0.00004 -0.00008 0.00005 0.00002 0.00017 113 4YZ 0.00001 -0.00002 0.00001 -0.00003 0.00001 114 12 C 1S 0.00022 -0.00011 0.00013 -0.00006 0.00009 115 2S -0.00059 0.00020 0.00007 0.00001 -0.00026 116 2PX 0.00082 -0.00015 -0.00021 -0.00004 -0.00002 117 2PY 0.00006 0.00007 0.00007 0.00004 0.00008 118 2PZ -0.00003 -0.00029 -0.00022 0.00048 0.00009 119 3S -0.00107 -0.00025 -0.00194 0.00198 0.00025 120 3PX -0.00010 0.00010 0.00061 -0.00010 -0.00042 121 3PY -0.00016 0.00011 0.00048 0.00035 0.00011 122 3PZ -0.00035 -0.00077 0.00010 0.00125 0.00107 123 4XX 0.00015 -0.00003 -0.00004 -0.00006 -0.00010 124 4YY -0.00006 0.00001 0.00004 0.00001 0.00003 125 4ZZ -0.00011 -0.00001 0.00009 0.00008 0.00009 126 4XY 0.00001 -0.00001 -0.00002 0.00001 0.00000 127 4XZ 0.00003 -0.00002 0.00003 -0.00001 0.00001 128 4YZ -0.00001 -0.00002 0.00001 0.00004 0.00003 129 13 C 1S 0.00022 -0.00011 -0.00013 -0.00006 -0.00009 130 2S -0.00059 0.00020 -0.00007 0.00001 0.00026 131 2PX 0.00082 -0.00015 0.00021 -0.00004 0.00002 132 2PY -0.00006 -0.00007 0.00007 -0.00004 0.00008 133 2PZ -0.00003 -0.00029 0.00022 0.00048 -0.00009 134 3S -0.00107 -0.00025 0.00194 0.00198 -0.00025 135 3PX -0.00010 0.00010 -0.00061 -0.00010 0.00042 136 3PY 0.00016 -0.00011 0.00048 -0.00035 0.00011 137 3PZ -0.00035 -0.00077 -0.00010 0.00125 -0.00107 138 4XX 0.00015 -0.00003 0.00004 -0.00006 0.00010 139 4YY -0.00006 0.00001 -0.00004 0.00001 -0.00003 140 4ZZ -0.00011 -0.00001 -0.00009 0.00008 -0.00009 141 4XY -0.00001 0.00001 -0.00002 -0.00001 0.00000 142 4XZ 0.00003 -0.00002 -0.00003 -0.00001 -0.00001 143 4YZ 0.00001 0.00002 0.00001 -0.00004 0.00003 144 14 C 1S -0.00008 -0.00012 -0.00018 0.00032 -0.00046 145 2S 0.00011 0.00031 0.00052 -0.00043 0.00087 146 2PX -0.00156 -0.00053 -0.00176 0.00163 -0.00279 147 2PY 0.00022 0.00017 0.00062 -0.00015 0.00053 148 2PZ -0.00039 -0.00010 -0.00084 0.00077 -0.00119 149 3S 0.00080 0.00178 -0.00033 -0.00332 0.00359 150 3PX -0.00111 -0.00018 -0.00147 0.00067 -0.00202 151 3PY 0.00083 0.00126 0.00048 -0.00188 0.00136 152 3PZ -0.00030 -0.00036 -0.00065 0.00154 -0.00160 153 4XX -0.00008 -0.00006 0.00003 0.00013 -0.00013 154 4YY 0.00002 0.00000 0.00001 -0.00001 0.00004 155 4ZZ 0.00000 -0.00003 -0.00002 0.00001 -0.00006 156 4XY -0.00007 0.00001 0.00002 0.00000 0.00000 157 4XZ 0.00004 -0.00008 -0.00005 0.00002 -0.00017 158 4YZ -0.00001 0.00002 0.00001 0.00003 0.00001 159 15 C 1S 0.00010 -0.00004 0.00002 -0.00017 0.00001 160 2S 0.00015 0.00045 0.00011 -0.00039 0.00058 161 2PX -0.00024 -0.00040 -0.00120 -0.00042 -0.00207 162 2PY 0.00000 0.00004 0.00009 0.00028 -0.00005 163 2PZ -0.00017 -0.00036 -0.00047 -0.00030 -0.00072 164 3S -0.00058 -0.00114 -0.00034 0.00144 -0.00193 165 3PX 0.00008 0.00004 -0.00088 -0.00114 -0.00131 166 3PY -0.00009 -0.00003 -0.00002 0.00035 -0.00034 167 3PZ 0.00036 0.00055 -0.00038 -0.00147 0.00071 168 4XX -0.00007 0.00000 -0.00005 0.00000 -0.00005 169 4YY 0.00001 0.00006 -0.00001 -0.00009 0.00002 170 4ZZ 0.00006 0.00007 0.00007 -0.00016 0.00013 171 4XY 0.00001 -0.00001 0.00009 -0.00003 0.00014 172 4XZ 0.00003 0.00000 0.00002 -0.00003 0.00003 173 4YZ -0.00001 -0.00002 0.00002 0.00001 0.00003 174 16 H 1S 0.00005 0.00009 -0.00016 -0.00029 -0.00048 175 2S -0.00008 -0.00007 -0.00016 0.00016 0.00036 176 17 H 1S 0.00007 0.00010 0.00008 -0.00028 -0.00034 177 2S 0.00029 0.00030 -0.00018 -0.00021 0.00030 178 18 H 1S -0.00043 0.00012 0.00038 0.00003 0.00021 179 2S -0.00048 -0.00048 0.00090 0.00060 0.00118 180 19 H 1S -0.00043 0.00012 -0.00038 0.00003 -0.00021 181 2S -0.00048 -0.00048 -0.00090 0.00060 -0.00118 182 20 H 1S 0.00007 0.00010 -0.00008 -0.00028 0.00034 183 2S 0.00029 0.00030 0.00018 -0.00021 -0.00030 184 21 H 1S 0.00005 0.00009 0.00016 -0.00029 0.00048 185 2S -0.00008 -0.00007 0.00016 0.00016 -0.00036 186 22 H 1S 0.00063 -0.00004 -0.00036 -0.00022 -0.00038 187 2S 0.00159 0.00007 -0.00069 -0.00119 -0.00057 188 23 H 1S 0.00063 -0.00004 0.00036 -0.00022 0.00038 189 2S 0.00159 0.00007 0.00069 -0.00119 0.00057 46 47 48 49 50 46 4 O 1S 2.07561 47 2S -0.17780 0.50274 48 2PX 0.00636 -0.01603 0.61892 49 2PY 0.03934 -0.07420 0.05183 0.66749 50 2PZ -0.01473 0.02195 0.12923 -0.00023 0.74389 51 3S -0.24634 0.59440 -0.01669 -0.21224 0.11210 52 3PX 0.00455 -0.01074 0.37210 0.06148 0.14988 53 3PY 0.02576 -0.04951 0.05983 0.42594 -0.00053 54 3PZ -0.01066 0.01633 0.13510 -0.00842 0.49384 55 4XX -0.01619 -0.00080 0.00625 -0.00495 0.00255 56 4YY -0.01262 -0.00841 0.00035 0.04102 0.00096 57 4ZZ -0.01277 -0.00781 -0.00492 -0.00627 -0.01860 58 4XY 0.00166 -0.00377 0.02715 0.00461 0.00501 59 4XZ 0.00340 -0.00727 -0.00843 -0.00122 0.00375 60 4YZ -0.00109 0.00217 0.00342 -0.00832 0.02954 61 5 H 1S 0.01282 -0.02690 -0.01029 0.02050 0.05198 62 2S 0.01379 -0.02820 -0.00388 0.02782 0.09370 63 6 H 1S -0.00279 0.00880 0.02792 0.02038 -0.00863 64 2S -0.00197 0.00720 0.05716 0.04583 0.00700 65 7 H 1S 0.00801 -0.02061 0.06403 -0.01288 0.05215 66 2S 0.00100 -0.00591 0.12383 -0.03428 0.13124 67 8 O 1S 0.00077 -0.00160 0.00910 0.01112 -0.00310 68 2S -0.00160 0.00452 -0.01812 -0.02882 0.00330 69 2PX 0.00910 -0.01812 0.00972 -0.00656 0.01635 70 2PY -0.01112 0.02882 0.00655 0.13503 0.00428 71 2PZ -0.00310 0.00330 0.01635 -0.00427 -0.01312 72 3S -0.01102 0.02308 -0.07518 -0.06163 0.01889 73 3PX 0.01177 -0.02562 0.02099 -0.00495 0.01555 74 3PY -0.00498 0.01321 0.01229 0.10394 0.00626 75 3PZ -0.00397 0.00693 0.00999 -0.00410 -0.01050 76 4XX 0.00000 0.00009 0.00255 -0.00359 -0.00261 77 4YY 0.00031 -0.00108 -0.00115 0.00255 -0.00063 78 4ZZ -0.00004 0.00051 0.00203 -0.00079 -0.00135 79 4XY -0.00099 0.00234 -0.00158 0.00245 -0.00155 80 4XZ -0.00039 0.00093 0.00036 0.00261 0.00268 81 4YZ 0.00056 -0.00137 -0.00055 -0.00314 0.00084 82 9 H 1S 0.01123 -0.02517 -0.00185 -0.01429 -0.06397 83 2S 0.00725 -0.01491 -0.02329 -0.03433 -0.11726 84 10 C 1S 0.00017 0.00030 -0.00062 0.00034 -0.00118 85 2S -0.00032 -0.00040 -0.00050 -0.00148 0.00070 86 2PX 0.00064 -0.00313 -0.02007 0.00167 -0.02971 87 2PY -0.00007 -0.00067 -0.00058 0.00222 -0.00331 88 2PZ 0.00055 -0.00034 -0.01189 -0.00108 -0.01574 89 3S -0.00149 0.00641 0.00853 0.00835 -0.01134 90 3PX 0.00036 -0.00155 -0.02170 0.00126 -0.03542 91 3PY -0.00011 -0.00105 -0.00217 0.00103 0.00042 92 3PZ 0.00205 -0.00568 -0.01803 -0.00503 -0.01215 93 4XX 0.00009 -0.00030 0.00010 -0.00007 -0.00015 94 4YY 0.00005 -0.00012 -0.00069 -0.00036 -0.00069 95 4ZZ -0.00009 0.00025 -0.00045 0.00042 -0.00152 96 4XY 0.00039 -0.00091 -0.00128 -0.00035 -0.00076 97 4XZ 0.00001 0.00006 -0.00034 0.00013 -0.00058 98 4YZ 0.00016 -0.00020 -0.00087 -0.00017 -0.00064 99 11 C 1S 0.00002 -0.00038 -0.00122 -0.00050 -0.00102 100 2S -0.00145 0.00284 0.00718 0.00170 0.00620 101 2PX 0.00291 -0.00860 -0.00222 -0.00768 0.00801 102 2PY 0.00133 -0.00304 -0.00519 -0.00657 0.00389 103 2PZ 0.00101 -0.00527 -0.00202 -0.00397 0.00418 104 3S 0.00457 -0.01157 -0.01281 -0.00841 -0.00222 105 3PX 0.00208 -0.00614 -0.00674 -0.00804 -0.00040 106 3PY -0.00260 0.00614 0.01517 -0.00076 0.01151 107 3PZ 0.00092 -0.00469 -0.00523 -0.00886 0.00888 108 4XX -0.00012 0.00034 0.00028 0.00028 -0.00064 109 4YY -0.00012 0.00021 0.00017 -0.00052 0.00104 110 4ZZ -0.00010 0.00019 -0.00013 0.00023 -0.00054 111 4XY 0.00009 -0.00022 -0.00113 -0.00053 -0.00061 112 4XZ 0.00001 0.00001 -0.00181 0.00036 -0.00291 113 4YZ 0.00003 0.00002 -0.00051 -0.00004 -0.00067 114 12 C 1S 0.00015 -0.00021 -0.00393 -0.00083 -0.00361 115 2S 0.00042 -0.00070 0.00729 -0.00074 0.00760 116 2PX -0.00037 0.00066 -0.00858 -0.00008 -0.00808 117 2PY 0.00041 -0.00025 -0.00459 -0.00242 -0.00167 118 2PZ -0.00059 0.00108 0.00520 0.00214 0.00525 119 3S -0.00489 0.01225 0.03591 0.01185 0.03074 120 3PX 0.00123 -0.00373 -0.00294 -0.00708 0.00085 121 3PY 0.00170 -0.00436 -0.00522 -0.00814 0.00402 122 3PZ -0.00039 0.00091 0.00686 0.00425 0.00183 123 4XX -0.00012 0.00034 -0.00105 0.00003 -0.00118 124 4YY 0.00003 -0.00012 0.00047 -0.00019 0.00025 125 4ZZ 0.00011 -0.00034 0.00047 -0.00049 0.00073 126 4XY -0.00017 0.00034 0.00025 0.00005 -0.00016 127 4XZ 0.00006 -0.00013 -0.00064 -0.00020 -0.00038 128 4YZ -0.00003 -0.00002 0.00013 -0.00009 0.00034 129 13 C 1S 0.00044 -0.00137 -0.00296 0.00165 0.00003 130 2S -0.00157 0.00300 0.01008 0.00188 -0.00152 131 2PX 0.00371 -0.00679 -0.01532 0.00018 -0.00341 132 2PY 0.00109 -0.00234 -0.00093 0.00206 0.00210 133 2PZ 0.00111 -0.00124 -0.00048 -0.00205 0.00841 134 3S -0.00155 -0.00300 0.01344 -0.03549 0.03276 135 3PX 0.00042 0.00191 0.00446 0.01304 -0.00615 136 3PY 0.00367 -0.00816 -0.01166 0.00111 -0.00409 137 3PZ -0.00071 0.00097 0.01572 -0.00289 0.03341 138 4XX 0.00051 -0.00101 -0.00387 0.00036 -0.00241 139 4YY -0.00008 0.00029 0.00161 0.00047 0.00108 140 4ZZ -0.00048 0.00113 0.00363 0.00057 0.00235 141 4XY -0.00014 0.00024 0.00018 0.00002 -0.00008 142 4XZ 0.00004 0.00001 -0.00019 0.00045 -0.00013 143 4YZ 0.00009 -0.00023 -0.00050 0.00027 -0.00117 144 14 C 1S -0.00086 0.00268 0.00889 -0.00038 0.00866 145 2S 0.00337 -0.00668 -0.01757 -0.00094 -0.01317 146 2PX -0.01007 0.02195 0.06629 0.00085 0.06209 147 2PY 0.00120 -0.00203 -0.01290 -0.00424 -0.01558 148 2PZ -0.00238 0.00742 0.02473 0.00146 0.02921 149 3S 0.00144 0.00391 -0.04869 0.02111 -0.09212 150 3PX -0.00263 0.00682 0.04552 0.01180 0.03825 151 3PY -0.00207 0.00694 -0.02806 -0.00718 -0.05303 152 3PZ -0.00641 0.01295 0.03116 -0.01289 0.04298 153 4XX 0.00006 -0.00007 0.00328 -0.00016 0.00251 154 4YY 0.00031 -0.00072 -0.00077 0.00000 0.00015 155 4ZZ 0.00003 -0.00014 0.00034 0.00011 0.00078 156 4XY -0.00009 0.00028 0.00102 -0.00006 0.00019 157 4XZ -0.00002 0.00003 0.00068 0.00041 0.00165 158 4YZ -0.00011 0.00026 0.00025 -0.00032 0.00033 159 15 C 1S -0.00016 0.00099 0.00076 0.00049 -0.00063 160 2S 0.00196 -0.00335 -0.01200 -0.00001 -0.01549 161 2PX -0.00628 0.01491 0.02456 0.00756 0.01403 162 2PY -0.00032 0.00050 0.00146 -0.00366 0.00533 163 2PZ -0.00258 0.00319 0.00916 0.00455 -0.00171 164 3S 0.00144 -0.00728 0.02296 0.00489 0.05106 165 3PX -0.00170 0.00501 0.00607 0.01113 -0.00745 166 3PY -0.00117 0.00105 0.00432 -0.00434 0.01535 167 3PZ -0.00120 0.00430 -0.01173 0.00847 -0.03939 168 4XX 0.00003 0.00029 0.00189 0.00082 0.00109 169 4YY 0.00028 -0.00039 -0.00082 0.00040 -0.00148 170 4ZZ 0.00067 -0.00127 -0.00346 0.00045 -0.00451 171 4XY 0.00019 -0.00052 -0.00193 -0.00018 -0.00238 172 4XZ 0.00018 -0.00032 -0.00084 0.00034 -0.00090 173 4YZ 0.00005 0.00006 -0.00022 -0.00009 0.00001 174 16 H 1S -0.00024 0.00104 -0.00036 -0.00029 -0.00077 175 2S -0.00051 0.00232 0.00181 0.00247 -0.00436 176 17 H 1S 0.00034 -0.00088 -0.00065 -0.00349 0.00569 177 2S 0.00124 -0.00302 -0.00815 -0.00103 -0.00002 178 18 H 1S 0.00093 -0.00183 0.00018 -0.00170 0.00091 179 2S 0.00141 -0.00309 -0.00322 -0.00048 -0.00475 180 19 H 1S -0.00258 0.00478 0.01275 0.00189 0.00315 181 2S -0.00236 0.00441 0.02355 0.00792 0.02458 182 20 H 1S 0.00125 -0.00261 -0.00526 0.00239 -0.00185 183 2S -0.00309 0.00678 -0.00002 -0.01304 0.00161 184 21 H 1S 0.00130 -0.00406 -0.00787 0.00130 -0.01335 185 2S -0.00056 -0.00094 0.00138 -0.00570 0.00826 186 22 H 1S -0.00084 0.00221 -0.00346 0.00090 -0.00468 187 2S -0.00168 0.00459 -0.01451 0.00448 -0.02098 188 23 H 1S 0.00282 -0.00546 -0.01672 -0.00082 -0.00972 189 2S 0.00487 -0.01002 -0.04162 -0.00279 -0.02838 51 52 53 54 55 51 3S 0.76069 52 3PX -0.01069 0.23556 53 3PY -0.13519 0.05352 0.27450 54 3PZ 0.07653 0.12927 -0.00435 0.33562 55 4XX -0.00067 0.00334 -0.00251 0.00185 0.00074 56 4YY -0.01783 0.00225 0.02579 -0.00021 -0.00028 57 4ZZ -0.01080 -0.00471 -0.00415 -0.01187 0.00002 58 4XY -0.00352 0.01606 0.00408 0.00536 0.00009 59 4XZ -0.00701 -0.00438 -0.00132 0.00179 -0.00011 60 4YZ 0.00677 0.00422 -0.00516 0.01899 0.00027 61 5 H 1S -0.06288 0.00200 0.01344 0.04014 0.00263 62 2S -0.05496 0.01335 0.01586 0.06766 0.00065 63 6 H 1S 0.01003 0.02086 0.01409 -0.00676 -0.00019 64 2S -0.00120 0.04128 0.02974 0.00661 0.00011 65 7 H 1S -0.03252 0.05656 -0.00786 0.04855 0.00535 66 2S 0.00354 0.09829 -0.02123 0.10793 0.00406 67 8 O 1S -0.01102 0.01177 0.00498 -0.00397 0.00000 68 2S 0.02308 -0.02562 -0.01321 0.00693 0.00009 69 2PX -0.07518 0.02099 -0.01229 0.00999 0.00255 70 2PY 0.06163 0.00494 0.10394 0.00411 0.00359 71 2PZ 0.01889 0.01555 -0.00625 -0.01050 -0.00261 72 3S 0.06983 -0.06313 -0.03226 0.01406 0.00030 73 3PX -0.06313 0.02449 -0.00922 0.01259 0.00108 74 3PY 0.03226 0.00922 0.07743 0.00648 0.00177 75 3PZ 0.01406 0.01259 -0.00647 -0.00572 -0.00182 76 4XX 0.00030 0.00108 -0.00177 -0.00182 0.00036 77 4YY -0.00505 -0.00019 0.00042 -0.00090 -0.00033 78 4ZZ 0.00033 0.00127 -0.00037 -0.00048 0.00001 79 4XY 0.00364 -0.00128 0.00200 -0.00105 0.00004 80 4XZ 0.00163 0.00074 0.00161 0.00200 -0.00003 81 4YZ -0.00165 -0.00027 -0.00232 0.00130 -0.00004 82 9 H 1S -0.05214 -0.01062 -0.00658 -0.05254 0.00087 83 2S -0.03216 -0.03139 -0.02008 -0.08475 -0.00049 84 10 C 1S -0.00277 -0.00096 -0.00088 -0.00123 0.00038 85 2S 0.00563 0.00146 0.00020 0.00051 -0.00036 86 2PX 0.00738 -0.01782 0.00990 -0.03368 0.00242 87 2PY 0.00387 -0.00060 0.00307 -0.00485 0.00028 88 2PZ -0.00662 -0.01388 0.00115 -0.01600 0.00143 89 3S 0.00588 0.00558 0.00722 -0.00619 -0.00044 90 3PX 0.00152 -0.02051 0.00686 -0.03489 0.00213 91 3PY 0.00014 -0.00226 0.00142 -0.00287 0.00082 92 3PZ -0.00464 -0.01529 -0.00110 -0.01450 0.00124 93 4XX -0.00071 0.00000 -0.00011 -0.00016 0.00003 94 4YY -0.00058 -0.00055 -0.00039 -0.00043 0.00000 95 4ZZ 0.00027 -0.00055 0.00036 -0.00104 -0.00003 96 4XY -0.00184 -0.00063 -0.00066 -0.00052 0.00005 97 4XZ 0.00001 -0.00044 0.00009 -0.00047 0.00001 98 4YZ -0.00139 -0.00081 -0.00040 -0.00035 0.00004 99 11 C 1S 0.00101 -0.00035 -0.00002 -0.00184 0.00036 100 2S 0.00705 0.00720 0.00141 0.00706 -0.00081 101 2PX -0.01489 0.00157 -0.00583 0.00302 0.00128 102 2PY -0.00945 -0.00442 -0.00675 0.00182 0.00060 103 2PZ 0.00560 0.00312 -0.00124 -0.00072 0.00032 104 3S -0.00785 -0.00781 -0.00526 -0.00102 -0.00078 105 3PX -0.01129 -0.00337 -0.00638 -0.00407 0.00131 106 3PY 0.00441 0.01144 -0.00116 0.00956 0.00004 107 3PZ 0.00202 0.00045 -0.00584 0.00421 0.00027 108 4XX -0.00003 -0.00008 0.00023 -0.00059 0.00006 109 4YY 0.00004 0.00017 -0.00054 0.00085 -0.00001 110 4ZZ 0.00037 -0.00021 0.00038 -0.00068 0.00007 111 4XY -0.00019 -0.00088 -0.00043 -0.00053 0.00002 112 4XZ 0.00034 -0.00170 0.00067 -0.00291 0.00018 113 4YZ -0.00034 -0.00056 -0.00006 -0.00055 0.00003 114 12 C 1S -0.00062 -0.00366 -0.00033 -0.00369 0.00027 115 2S -0.00499 0.00589 -0.00159 0.00831 -0.00037 116 2PX 0.00697 -0.00780 0.00074 -0.00906 0.00026 117 2PY -0.00506 -0.00547 -0.00191 -0.00125 0.00051 118 2PZ 0.00339 0.00518 0.00125 0.00448 -0.00048 119 3S 0.01358 0.02874 0.00689 0.03048 -0.00159 120 3PX -0.00142 -0.00212 -0.00480 -0.00030 -0.00004 121 3PY -0.00753 -0.00357 -0.00664 0.00307 0.00025 122 3PZ 0.00147 0.00616 0.00281 0.00229 -0.00035 123 4XX 0.00070 -0.00108 0.00013 -0.00099 0.00000 124 4YY -0.00016 0.00051 -0.00027 0.00025 -0.00003 125 4ZZ -0.00058 0.00048 -0.00030 0.00052 0.00005 126 4XY 0.00126 0.00023 0.00013 -0.00030 -0.00004 127 4XZ -0.00016 -0.00058 -0.00013 -0.00046 0.00004 128 4YZ 0.00041 0.00025 -0.00005 0.00017 -0.00003 129 13 C 1S -0.00055 -0.00206 0.00172 -0.00059 0.00012 130 2S 0.01055 0.00959 0.00105 -0.00081 -0.00090 131 2PX -0.02855 -0.01531 -0.00127 -0.00060 0.00191 132 2PY -0.00687 0.00032 0.00054 0.00217 0.00015 133 2PZ -0.01185 -0.00167 -0.00238 0.00828 0.00081 134 3S 0.01109 0.01576 -0.02545 0.02361 -0.00072 135 3PX -0.01174 -0.00004 0.00761 -0.00191 0.00083 136 3PY -0.01352 -0.00815 0.00040 -0.00476 0.00053 137 3PZ -0.00007 0.01213 -0.00169 0.02472 0.00058 138 4XX -0.00312 -0.00320 0.00004 -0.00227 0.00032 139 4YY 0.00022 0.00123 0.00027 0.00116 -0.00008 140 4ZZ 0.00269 0.00273 0.00060 0.00196 -0.00019 141 4XY 0.00112 0.00027 0.00008 -0.00018 -0.00006 142 4XZ -0.00009 -0.00016 0.00037 -0.00011 0.00002 143 4YZ -0.00005 -0.00031 0.00016 -0.00101 -0.00002 144 14 C 1S 0.00061 0.00485 0.00011 0.00749 -0.00003 145 2S -0.01746 -0.01409 -0.00345 -0.00983 0.00044 146 2PX 0.05591 0.05227 0.00650 0.05298 -0.00442 147 2PY -0.00874 -0.01129 -0.00475 -0.01508 0.00134 148 2PZ 0.00523 0.01698 0.00072 0.02888 -0.00168 149 3S -0.02043 -0.04106 0.00961 -0.06529 0.00033 150 3PX 0.02385 0.03457 0.01157 0.03393 -0.00300 151 3PY 0.00110 -0.02404 -0.00613 -0.03855 0.00034 152 3PZ 0.02508 0.02365 -0.00743 0.03639 -0.00159 153 4XX -0.00019 0.00191 0.00012 0.00158 0.00023 154 4YY -0.00078 -0.00033 -0.00010 0.00028 -0.00008 155 4ZZ 0.00104 0.00043 0.00035 0.00031 -0.00007 156 4XY 0.00071 0.00084 0.00010 0.00031 -0.00009 157 4XZ 0.00046 0.00008 0.00086 0.00070 0.00016 158 4YZ -0.00033 0.00012 -0.00035 0.00054 -0.00002 159 15 C 1S -0.00251 -0.00044 -0.00028 -0.00024 0.00010 160 2S -0.00867 -0.00850 -0.00156 -0.00918 -0.00042 161 2PX 0.03775 0.01225 0.01626 0.00683 -0.00075 162 2PY 0.00002 0.00192 -0.00301 0.00427 0.00008 163 2PZ 0.02601 0.00782 0.01028 -0.00549 -0.00040 164 3S -0.00297 0.01867 0.00433 0.03327 0.00091 165 3PX 0.01931 -0.00006 0.01577 -0.00944 -0.00020 166 3PY 0.00177 0.00418 -0.00375 0.01008 0.00041 167 3PZ 0.00850 -0.01153 0.00898 -0.02902 -0.00044 168 4XX 0.00056 0.00131 0.00067 0.00086 -0.00003 169 4YY -0.00028 -0.00044 0.00032 -0.00085 -0.00010 170 4ZZ -0.00241 -0.00271 0.00014 -0.00364 0.00012 171 4XY -0.00047 -0.00153 0.00013 -0.00237 0.00017 172 4XZ -0.00121 -0.00093 0.00014 -0.00098 0.00017 173 4YZ -0.00080 -0.00048 -0.00010 0.00000 0.00007 174 16 H 1S -0.00178 -0.00173 -0.00055 -0.00012 0.00000 175 2S -0.00258 -0.00070 0.00096 -0.00156 -0.00020 176 17 H 1S -0.00296 -0.00011 -0.00390 0.00487 -0.00010 177 2S -0.00581 -0.00565 -0.00233 -0.00050 0.00025 178 18 H 1S -0.00731 -0.00048 -0.00153 0.00141 0.00042 179 2S -0.00846 -0.00270 -0.00017 -0.00447 0.00082 180 19 H 1S 0.01924 0.01151 0.00251 0.00139 -0.00134 181 2S 0.01852 0.01922 0.00760 0.01707 -0.00120 182 20 H 1S -0.00517 -0.00311 0.00103 0.00062 -0.00048 183 2S 0.01142 0.00016 -0.00824 0.00427 -0.00078 184 21 H 1S 0.00047 -0.00364 0.00134 -0.01084 -0.00012 185 2S 0.00859 0.00378 -0.00262 0.00332 0.00019 186 22 H 1S 0.00626 -0.00396 0.00110 -0.00449 -0.00013 187 2S 0.01139 -0.01389 0.00490 -0.01877 0.00012 188 23 H 1S -0.02004 -0.01460 -0.00185 -0.00719 0.00151 189 2S -0.02790 -0.03392 -0.00266 -0.02417 0.00237 56 57 58 59 60 56 4YY 0.00293 57 4ZZ -0.00029 0.00115 58 4XY 0.00013 -0.00025 0.00154 59 4XZ 0.00005 -0.00011 -0.00035 0.00055 60 4YZ -0.00043 -0.00061 -0.00006 0.00011 0.00156 61 5 H 1S 0.00078 0.00410 -0.00297 -0.00342 0.00327 62 2S 0.00208 0.00237 -0.00282 -0.00108 0.00477 63 6 H 1S 0.00068 -0.00004 -0.00091 0.00087 0.00058 64 2S 0.00223 -0.00076 0.00028 0.00097 0.00074 65 7 H 1S -0.00056 -0.00300 -0.00115 0.00171 -0.00049 66 2S -0.00325 -0.00390 0.00318 0.00187 0.00198 67 8 O 1S 0.00031 -0.00004 0.00099 -0.00039 -0.00056 68 2S -0.00108 0.00051 -0.00234 0.00093 0.00137 69 2PX -0.00115 0.00203 0.00158 0.00036 0.00055 70 2PY -0.00255 0.00079 0.00245 -0.00261 -0.00314 71 2PZ -0.00063 -0.00135 0.00155 0.00268 -0.00084 72 3S -0.00505 0.00033 -0.00364 0.00163 0.00165 73 3PX -0.00019 0.00127 0.00128 0.00074 0.00027 74 3PY -0.00042 0.00037 0.00200 -0.00161 -0.00232 75 3PZ -0.00090 -0.00048 0.00105 0.00200 -0.00130 76 4XX -0.00033 0.00001 -0.00004 -0.00003 0.00004 77 4YY 0.00088 -0.00023 -0.00016 0.00012 0.00005 78 4ZZ -0.00023 0.00030 0.00004 -0.00017 -0.00001 79 4XY 0.00016 -0.00004 -0.00043 -0.00001 0.00006 80 4XZ 0.00012 -0.00017 0.00001 0.00010 -0.00001 81 4YZ -0.00005 0.00001 0.00006 0.00001 -0.00017 82 9 H 1S 0.00015 0.00490 -0.00128 -0.00491 0.00201 83 2S -0.00212 0.00625 -0.00065 -0.00411 -0.00132 84 10 C 1S 0.00014 0.00034 -0.00004 0.00003 -0.00007 85 2S -0.00032 -0.00016 0.00003 -0.00005 -0.00007 86 2PX 0.00037 -0.00314 -0.00089 -0.00067 -0.00048 87 2PY -0.00024 -0.00064 -0.00007 -0.00015 -0.00010 88 2PZ 0.00065 -0.00098 -0.00058 -0.00021 -0.00010 89 3S 0.00061 -0.00002 0.00006 -0.00034 -0.00041 90 3PX 0.00047 -0.00210 -0.00107 -0.00041 -0.00051 91 3PY -0.00010 -0.00084 -0.00008 0.00016 0.00018 92 3PZ 0.00001 -0.00107 -0.00071 -0.00001 0.00003 93 4XX 0.00001 -0.00001 0.00001 0.00000 -0.00001 94 4YY 0.00000 0.00005 -0.00002 0.00001 -0.00004 95 4ZZ 0.00003 0.00005 -0.00004 -0.00003 -0.00001 96 4XY -0.00008 0.00003 -0.00002 0.00012 -0.00008 97 4XZ 0.00003 0.00001 -0.00001 0.00000 0.00002 98 4YZ 0.00002 0.00007 -0.00004 0.00004 -0.00002 99 11 C 1S -0.00018 -0.00033 0.00006 0.00003 -0.00003 100 2S -0.00013 0.00024 0.00026 -0.00020 0.00005 101 2PX -0.00076 -0.00126 0.00034 0.00061 -0.00071 102 2PY 0.00003 -0.00029 0.00010 0.00015 -0.00019 103 2PZ -0.00104 -0.00124 0.00031 0.00021 -0.00044 104 3S -0.00018 0.00069 -0.00056 -0.00010 0.00019 105 3PX -0.00066 -0.00124 0.00016 0.00064 -0.00054 106 3PY 0.00002 -0.00035 0.00050 -0.00005 0.00017 107 3PZ -0.00119 -0.00071 0.00023 0.00038 -0.00034 108 4XX 0.00002 -0.00001 -0.00001 0.00001 0.00004 109 4YY -0.00001 0.00000 0.00003 0.00000 0.00001 110 4ZZ 0.00001 -0.00008 -0.00002 -0.00001 0.00000 111 4XY -0.00003 0.00001 -0.00002 0.00003 0.00000 112 4XZ 0.00004 -0.00017 -0.00010 0.00000 -0.00002 113 4YZ 0.00002 -0.00001 -0.00002 0.00000 -0.00001 114 12 C 1S 0.00008 -0.00004 -0.00015 0.00001 0.00000 115 2S 0.00010 0.00041 0.00024 0.00003 0.00006 116 2PX -0.00004 -0.00041 -0.00029 0.00002 0.00011 117 2PY 0.00005 0.00037 -0.00001 0.00013 0.00004 118 2PZ -0.00014 0.00005 0.00011 0.00009 0.00009 119 3S 0.00021 0.00074 0.00152 -0.00053 0.00006 120 3PX -0.00025 0.00005 -0.00009 0.00008 0.00024 121 3PY -0.00046 0.00043 -0.00002 0.00030 0.00008 122 3PZ 0.00005 0.00006 0.00013 0.00008 -0.00010 123 4XX 0.00003 0.00003 -0.00007 -0.00001 0.00005 124 4YY -0.00003 0.00000 0.00004 0.00001 -0.00003 125 4ZZ -0.00003 -0.00004 0.00004 0.00001 -0.00001 126 4XY -0.00002 -0.00003 0.00002 -0.00001 -0.00001 127 4XZ 0.00001 -0.00002 -0.00002 0.00001 0.00001 128 4YZ -0.00003 -0.00004 0.00001 0.00001 -0.00001 129 13 C 1S -0.00010 -0.00034 -0.00009 -0.00013 0.00005 130 2S -0.00042 -0.00011 0.00065 -0.00010 -0.00045 131 2PX 0.00058 0.00008 -0.00087 0.00037 0.00045 132 2PY 0.00020 -0.00015 -0.00031 0.00003 0.00006 133 2PZ 0.00036 0.00070 -0.00007 0.00006 0.00042 134 3S -0.00274 -0.00033 0.00088 0.00093 0.00078 135 3PX 0.00091 0.00005 0.00015 -0.00011 -0.00027 136 3PY 0.00032 -0.00009 -0.00069 0.00013 0.00010 137 3PZ -0.00001 -0.00031 0.00047 -0.00010 0.00133 138 4XX 0.00003 -0.00004 -0.00017 0.00010 0.00000 139 4YY 0.00004 0.00002 0.00006 -0.00002 -0.00001 140 4ZZ 0.00003 -0.00001 0.00016 -0.00010 0.00003 141 4XY -0.00001 -0.00001 0.00001 -0.00001 -0.00002 142 4XZ 0.00002 -0.00003 -0.00001 -0.00002 0.00000 143 4YZ -0.00002 -0.00001 -0.00002 0.00002 -0.00003 144 14 C 1S 0.00025 0.00030 0.00038 -0.00027 0.00036 145 2S 0.00059 0.00092 -0.00095 0.00084 -0.00061 146 2PX 0.00045 0.00040 0.00295 -0.00236 0.00133 147 2PY -0.00067 0.00037 -0.00044 0.00032 0.00013 148 2PZ 0.00094 0.00115 0.00067 -0.00077 0.00079 149 3S 0.00178 0.00200 -0.00204 0.00053 -0.00375 150 3PX 0.00115 0.00059 0.00209 -0.00173 0.00076 151 3PY -0.00060 0.00102 -0.00096 0.00002 -0.00165 152 3PZ -0.00051 0.00014 0.00127 -0.00067 0.00120 153 4XX -0.00007 -0.00017 0.00014 -0.00003 0.00017 154 4YY 0.00004 0.00001 -0.00002 0.00005 -0.00004 155 4ZZ -0.00002 -0.00003 0.00001 -0.00005 0.00006 156 4XY 0.00001 0.00003 0.00002 -0.00005 -0.00001 157 4XZ 0.00008 -0.00015 -0.00003 -0.00011 0.00017 158 4YZ 0.00002 0.00008 -0.00001 0.00001 0.00001 159 15 C 1S -0.00004 -0.00011 0.00000 -0.00013 0.00002 160 2S 0.00018 0.00126 -0.00055 0.00040 -0.00061 161 2PX 0.00183 -0.00155 0.00050 -0.00269 0.00133 162 2PY -0.00015 -0.00018 0.00025 0.00003 0.00015 163 2PZ -0.00016 -0.00168 0.00059 -0.00094 0.00008 164 3S 0.00034 -0.00145 0.00080 0.00037 0.00217 165 3PX 0.00150 -0.00106 -0.00012 -0.00182 0.00051 166 3PY -0.00035 -0.00060 0.00034 0.00029 0.00048 167 3PZ 0.00067 0.00020 -0.00044 -0.00077 -0.00129 168 4XX 0.00004 -0.00004 0.00009 -0.00007 0.00002 169 4YY 0.00003 0.00006 -0.00003 -0.00002 -0.00009 170 4ZZ 0.00001 0.00005 -0.00014 0.00007 -0.00013 171 4XY -0.00003 -0.00013 -0.00008 0.00003 -0.00005 172 4XZ 0.00002 -0.00009 -0.00003 0.00004 0.00001 173 4YZ 0.00007 -0.00001 -0.00004 -0.00001 0.00001 174 16 H 1S 0.00012 0.00016 -0.00010 -0.00005 0.00007 175 2S 0.00029 0.00056 -0.00003 -0.00015 -0.00010 176 17 H 1S 0.00003 0.00005 0.00015 -0.00001 -0.00004 177 2S -0.00002 -0.00007 0.00003 0.00015 -0.00035 178 18 H 1S 0.00010 0.00013 0.00007 0.00006 -0.00006 179 2S 0.00013 -0.00029 -0.00013 0.00020 -0.00020 180 19 H 1S -0.00040 -0.00038 0.00065 -0.00033 -0.00017 181 2S 0.00027 -0.00064 0.00086 -0.00069 0.00077 182 20 H 1S 0.00063 0.00014 -0.00034 0.00032 -0.00055 183 2S -0.00041 0.00015 -0.00006 -0.00008 -0.00024 184 21 H 1S -0.00052 0.00005 -0.00015 0.00039 -0.00060 185 2S -0.00103 -0.00066 0.00023 0.00027 0.00033 186 22 H 1S 0.00009 0.00004 -0.00016 -0.00004 0.00015 187 2S 0.00034 -0.00022 -0.00071 -0.00016 -0.00001 188 23 H 1S 0.00015 0.00007 -0.00072 0.00045 0.00006 189 2S 0.00023 -0.00001 -0.00189 0.00068 -0.00009 61 62 63 64 65 61 5 H 1S 0.21512 62 2S 0.15897 0.14252 63 6 H 1S -0.00991 -0.00501 0.21512 64 2S -0.00501 -0.00014 0.15897 0.14252 65 7 H 1S 0.00315 0.01186 0.00315 0.01186 0.22403 66 2S 0.00885 0.02651 0.00885 0.02651 0.19017 67 8 O 1S -0.00279 -0.00197 0.01282 0.01379 0.00801 68 2S 0.00880 0.00720 -0.02690 -0.02820 -0.02061 69 2PX 0.02792 0.05716 -0.01029 -0.00388 0.06403 70 2PY -0.02038 -0.04583 -0.02051 -0.02783 0.01287 71 2PZ -0.00863 0.00700 0.05198 0.09370 0.05215 72 3S 0.01003 -0.00120 -0.06288 -0.05496 -0.03252 73 3PX 0.02086 0.04128 0.00199 0.01335 0.05656 74 3PY -0.01409 -0.02974 -0.01345 -0.01587 0.00786 75 3PZ -0.00676 0.00661 0.04014 0.06765 0.04855 76 4XX -0.00019 0.00011 0.00263 0.00065 0.00535 77 4YY 0.00068 0.00223 0.00078 0.00208 -0.00056 78 4ZZ -0.00004 -0.00076 0.00410 0.00237 -0.00300 79 4XY 0.00091 -0.00028 0.00297 0.00282 0.00115 80 4XZ 0.00087 0.00097 -0.00342 -0.00108 0.00171 81 4YZ -0.00058 -0.00074 -0.00327 -0.00477 0.00049 82 9 H 1S -0.00859 -0.02133 -0.00859 -0.02133 -0.04284 83 2S -0.01971 -0.03375 -0.01971 -0.03375 -0.07926 84 10 C 1S -0.00026 -0.00046 -0.00109 -0.00149 -0.00043 85 2S -0.00090 -0.00318 0.00302 0.00769 -0.00223 86 2PX -0.01477 -0.04093 0.02316 0.03343 -0.00288 87 2PY -0.00167 -0.01070 0.00384 0.00294 -0.00129 88 2PZ -0.00642 -0.01043 0.00499 -0.00292 -0.00121 89 3S 0.00977 0.01501 0.00796 0.00757 0.00698 90 3PX -0.01278 -0.03174 0.01781 0.02038 -0.00701 91 3PY -0.00786 -0.01639 0.01074 0.01380 -0.00194 92 3PZ -0.00834 -0.01833 0.00167 0.00013 -0.00765 93 4XX -0.00030 -0.00041 0.00048 0.00043 0.00009 94 4YY -0.00033 -0.00052 0.00024 0.00047 -0.00041 95 4ZZ 0.00053 0.00087 -0.00076 -0.00211 -0.00097 96 4XY -0.00141 -0.00233 0.00114 0.00285 0.00025 97 4XZ 0.00031 0.00077 -0.00097 -0.00166 -0.00031 98 4YZ -0.00024 0.00015 0.00011 -0.00013 -0.00007 99 11 C 1S -0.00232 -0.00405 0.00589 0.00655 0.00153 100 2S 0.00538 0.00722 -0.01361 -0.01226 -0.00249 101 2PX -0.01953 -0.03565 0.02038 0.04792 0.01279 102 2PY -0.00854 -0.01617 0.00124 0.01064 0.00197 103 2PZ -0.01188 -0.03080 0.02040 0.04127 0.00486 104 3S 0.00796 0.00730 -0.02748 -0.03276 -0.01619 105 3PX -0.02138 -0.03645 0.02254 0.04294 0.00530 106 3PY 0.00249 0.00298 0.01069 0.01625 0.01053 107 3PZ -0.01045 -0.02163 0.00693 0.02357 0.00920 108 4XX 0.00033 0.00129 0.00073 -0.00068 0.00061 109 4YY -0.00020 -0.00042 -0.00118 -0.00045 -0.00012 110 4ZZ -0.00034 -0.00109 0.00145 0.00205 -0.00010 111 4XY -0.00021 -0.00013 -0.00043 -0.00066 -0.00014 112 4XZ -0.00086 -0.00196 0.00289 0.00206 -0.00018 113 4YZ -0.00012 -0.00006 -0.00033 -0.00100 -0.00016 114 12 C 1S -0.00055 -0.00210 0.00421 0.00015 -0.00114 115 2S 0.00176 0.00548 -0.00921 -0.00447 0.00218 116 2PX -0.00018 -0.00031 0.01301 -0.00105 -0.00313 117 2PY 0.00125 0.00297 -0.00258 0.00322 -0.00017 118 2PZ 0.00333 0.01127 0.00493 -0.01332 0.00208 119 3S 0.00836 0.02173 -0.02192 -0.01601 0.01395 120 3PX 0.00247 0.00375 0.00374 -0.00226 -0.00033 121 3PY 0.00017 0.00075 -0.00556 0.00098 0.00268 122 3PZ 0.00378 0.00921 0.01039 0.00217 0.00684 123 4XX 0.00117 0.00199 -0.00003 -0.00259 -0.00083 124 4YY -0.00054 -0.00065 0.00008 0.00051 0.00030 125 4ZZ -0.00040 -0.00129 0.00030 0.00254 0.00070 126 4XY -0.00033 0.00003 0.00049 -0.00004 0.00000 127 4XZ -0.00018 -0.00048 0.00093 0.00077 -0.00015 128 4YZ -0.00017 0.00043 0.00025 -0.00041 0.00026 129 13 C 1S 0.00421 0.00015 -0.00055 -0.00210 -0.00114 130 2S -0.00920 -0.00447 0.00176 0.00548 0.00218 131 2PX 0.01301 -0.00105 -0.00018 -0.00031 -0.00313 132 2PY 0.00258 -0.00321 -0.00125 -0.00297 0.00017 133 2PZ 0.00493 -0.01333 0.00333 0.01127 0.00208 134 3S -0.02192 -0.01601 0.00836 0.02173 0.01396 135 3PX 0.00374 -0.00226 0.00247 0.00375 -0.00034 136 3PY 0.00556 -0.00098 -0.00017 -0.00075 -0.00268 137 3PZ 0.01038 0.00217 0.00378 0.00922 0.00684 138 4XX -0.00003 -0.00259 0.00117 0.00199 -0.00083 139 4YY 0.00008 0.00051 -0.00054 -0.00065 0.00030 140 4ZZ 0.00030 0.00254 -0.00040 -0.00129 0.00070 141 4XY -0.00049 0.00004 0.00033 -0.00003 0.00000 142 4XZ 0.00093 0.00077 -0.00018 -0.00048 -0.00015 143 4YZ -0.00025 0.00041 0.00017 -0.00043 -0.00026 144 14 C 1S 0.00589 0.00655 -0.00232 -0.00405 0.00153 145 2S -0.01362 -0.01226 0.00538 0.00722 -0.00249 146 2PX 0.02038 0.04792 -0.01953 -0.03565 0.01279 147 2PY -0.00124 -0.01065 0.00854 0.01617 -0.00197 148 2PZ 0.02040 0.04126 -0.01188 -0.03080 0.00486 149 3S -0.02748 -0.03276 0.00796 0.00730 -0.01619 150 3PX 0.02254 0.04294 -0.02138 -0.03644 0.00530 151 3PY -0.01069 -0.01626 -0.00249 -0.00298 -0.01053 152 3PZ 0.00693 0.02357 -0.01045 -0.02163 0.00920 153 4XX 0.00073 -0.00068 0.00033 0.00129 0.00061 154 4YY -0.00119 -0.00045 -0.00020 -0.00042 -0.00012 155 4ZZ 0.00145 0.00205 -0.00034 -0.00109 -0.00010 156 4XY 0.00043 0.00066 0.00021 0.00013 0.00014 157 4XZ 0.00289 0.00206 -0.00086 -0.00196 -0.00018 158 4YZ 0.00033 0.00100 0.00012 0.00006 0.00016 159 15 C 1S -0.00109 -0.00149 -0.00026 -0.00046 -0.00043 160 2S 0.00302 0.00769 -0.00090 -0.00318 -0.00223 161 2PX 0.02316 0.03343 -0.01477 -0.04093 -0.00288 162 2PY -0.00384 -0.00294 0.00167 0.01070 0.00129 163 2PZ 0.00499 -0.00291 -0.00642 -0.01043 -0.00121 164 3S 0.00796 0.00757 0.00977 0.01501 0.00698 165 3PX 0.01781 0.02038 -0.01278 -0.03174 -0.00701 166 3PY -0.01074 -0.01380 0.00786 0.01640 0.00194 167 3PZ 0.00167 0.00013 -0.00834 -0.01833 -0.00765 168 4XX 0.00048 0.00043 -0.00030 -0.00041 0.00009 169 4YY 0.00024 0.00047 -0.00033 -0.00052 -0.00041 170 4ZZ -0.00076 -0.00211 0.00053 0.00087 -0.00097 171 4XY -0.00114 -0.00285 0.00141 0.00233 -0.00025 172 4XZ -0.00097 -0.00166 0.00031 0.00077 -0.00031 173 4YZ -0.00011 0.00013 0.00024 -0.00015 0.00007 174 16 H 1S 0.00125 0.00406 -0.00203 -0.00887 -0.00125 175 2S 0.00342 0.00957 -0.00328 -0.01223 0.00030 176 17 H 1S -0.00200 -0.00474 -0.00755 -0.00284 -0.00109 177 2S -0.00900 -0.01453 -0.00513 0.00157 -0.00100 178 18 H 1S -0.00222 -0.00825 -0.00266 0.01601 0.00165 179 2S -0.00346 -0.01426 0.01259 0.03128 0.00413 180 19 H 1S -0.00266 0.01601 -0.00222 -0.00825 0.00165 181 2S 0.01259 0.03128 -0.00346 -0.01426 0.00413 182 20 H 1S -0.00755 -0.00284 -0.00200 -0.00474 -0.00109 183 2S -0.00513 0.00157 -0.00900 -0.01453 -0.00100 184 21 H 1S -0.00203 -0.00887 0.00125 0.00406 -0.00125 185 2S -0.00328 -0.01223 0.00342 0.00957 0.00030 186 22 H 1S 0.00274 0.00830 0.00330 -0.00995 -0.00321 187 2S 0.00043 0.00474 0.00436 -0.01571 -0.01108 188 23 H 1S 0.00330 -0.00996 0.00274 0.00830 -0.00321 189 2S 0.00435 -0.01571 0.00043 0.00474 -0.01108 66 67 68 69 70 66 2S 0.21156 67 8 O 1S 0.00100 2.07561 68 2S -0.00591 -0.17780 0.50274 69 2PX 0.12383 0.00636 -0.01603 0.61893 70 2PY 0.03427 -0.03934 0.07420 -0.05184 0.66749 71 2PZ 0.13125 -0.01474 0.02195 0.12922 0.00023 72 3S 0.00354 -0.24634 0.59440 -0.01669 0.21223 73 3PX 0.09829 0.00455 -0.01074 0.37211 -0.06149 74 3PY 0.02122 -0.02576 0.04951 -0.05985 0.42594 75 3PZ 0.10794 -0.01067 0.01634 0.13510 0.00842 76 4XX 0.00406 -0.01619 -0.00080 0.00625 0.00495 77 4YY -0.00325 -0.01262 -0.00841 0.00035 -0.04101 78 4ZZ -0.00390 -0.01277 -0.00781 -0.00492 0.00627 79 4XY -0.00318 -0.00166 0.00377 -0.02715 0.00461 80 4XZ 0.00187 0.00340 -0.00727 -0.00843 0.00122 81 4YZ -0.00198 0.00109 -0.00217 -0.00342 -0.00832 82 9 H 1S -0.08779 0.01123 -0.02517 -0.00185 0.01430 83 2S -0.11043 0.00725 -0.01491 -0.02329 0.03434 84 10 C 1S -0.00064 -0.00016 0.00099 0.00076 -0.00049 85 2S -0.00290 0.00196 -0.00335 -0.01200 0.00001 86 2PX -0.02268 -0.00628 0.01491 0.02456 -0.00756 87 2PY -0.00476 0.00032 -0.00049 -0.00146 -0.00365 88 2PZ -0.01122 -0.00258 0.00319 0.00916 -0.00455 89 3S 0.01046 0.00144 -0.00728 0.02296 -0.00489 90 3PX -0.02740 -0.00170 0.00501 0.00607 -0.01112 91 3PY -0.00599 0.00117 -0.00105 -0.00431 -0.00433 92 3PZ -0.02104 -0.00120 0.00430 -0.01173 -0.00846 93 4XX 0.00027 0.00003 0.00029 0.00189 -0.00082 94 4YY -0.00060 0.00028 -0.00039 -0.00082 -0.00040 95 4ZZ -0.00197 0.00067 -0.00127 -0.00346 -0.00045 96 4XY 0.00113 -0.00019 0.00052 0.00193 -0.00018 97 4XZ -0.00088 0.00018 -0.00032 -0.00084 -0.00034 98 4YZ 0.00011 -0.00005 -0.00006 0.00022 -0.00009 99 11 C 1S 0.00193 -0.00086 0.00268 0.00889 0.00038 100 2S -0.00161 0.00337 -0.00669 -0.01757 0.00094 101 2PX 0.02778 -0.01007 0.02195 0.06629 -0.00085 102 2PY 0.00339 -0.00120 0.00203 0.01290 -0.00425 103 2PZ 0.00985 -0.00238 0.00742 0.02473 -0.00146 104 3S -0.02883 0.00144 0.00391 -0.04868 -0.02110 105 3PX 0.01287 -0.00263 0.00682 0.04552 -0.01180 106 3PY 0.01947 0.00207 -0.00695 0.02805 -0.00719 107 3PZ 0.01837 -0.00641 0.01294 0.03116 0.01288 108 4XX 0.00067 0.00006 -0.00007 0.00328 0.00016 109 4YY 0.00015 0.00031 -0.00072 -0.00077 0.00000 110 4ZZ -0.00040 0.00003 -0.00014 0.00034 -0.00011 111 4XY -0.00043 0.00009 -0.00028 -0.00102 -0.00006 112 4XZ -0.00174 -0.00002 0.00003 0.00068 -0.00041 113 4YZ -0.00049 0.00011 -0.00026 -0.00025 -0.00032 114 12 C 1S -0.00345 0.00044 -0.00137 -0.00296 -0.00165 115 2S 0.00717 -0.00157 0.00300 0.01008 -0.00188 116 2PX -0.01062 0.00371 -0.00679 -0.01532 -0.00018 117 2PY 0.00033 -0.00109 0.00234 0.00093 0.00206 118 2PZ 0.00672 0.00111 -0.00124 -0.00048 0.00205 119 3S 0.03204 -0.00155 -0.00300 0.01343 0.03549 120 3PX -0.00213 0.00042 0.00192 0.00447 -0.01304 121 3PY 0.00669 -0.00367 0.00816 0.01166 0.00111 122 3PZ 0.01308 -0.00071 0.00097 0.01572 0.00289 123 4XX -0.00196 0.00051 -0.00101 -0.00387 -0.00036 124 4YY 0.00080 -0.00008 0.00029 0.00161 -0.00047 125 4ZZ 0.00139 -0.00048 0.00113 0.00363 -0.00057 126 4XY -0.00004 0.00014 -0.00024 -0.00018 0.00002 127 4XZ -0.00051 0.00004 0.00001 -0.00019 -0.00045 128 4YZ 0.00047 -0.00009 0.00023 0.00050 0.00027 129 13 C 1S -0.00345 0.00015 -0.00020 -0.00393 0.00083 130 2S 0.00717 0.00042 -0.00070 0.00729 0.00074 131 2PX -0.01062 -0.00037 0.00066 -0.00858 0.00008 132 2PY -0.00033 -0.00041 0.00025 0.00458 -0.00242 133 2PZ 0.00672 -0.00059 0.00108 0.00520 -0.00214 134 3S 0.03205 -0.00489 0.01225 0.03591 -0.01185 135 3PX -0.00214 0.00124 -0.00373 -0.00295 0.00708 136 3PY -0.00669 -0.00170 0.00436 0.00522 -0.00814 137 3PZ 0.01308 -0.00039 0.00091 0.00687 -0.00425 138 4XX -0.00196 -0.00012 0.00034 -0.00105 -0.00003 139 4YY 0.00080 0.00003 -0.00012 0.00047 0.00019 140 4ZZ 0.00139 0.00011 -0.00034 0.00047 0.00049 141 4XY 0.00004 0.00017 -0.00034 -0.00025 0.00005 142 4XZ -0.00051 0.00006 -0.00013 -0.00064 0.00020 143 4YZ -0.00047 0.00003 0.00002 -0.00013 -0.00009 144 14 C 1S 0.00193 0.00002 -0.00038 -0.00122 0.00050 145 2S -0.00161 -0.00146 0.00284 0.00718 -0.00170 146 2PX 0.02778 0.00291 -0.00860 -0.00222 0.00768 147 2PY -0.00339 -0.00133 0.00304 0.00519 -0.00657 148 2PZ 0.00985 0.00101 -0.00527 -0.00202 0.00397 149 3S -0.02884 0.00457 -0.01157 -0.01282 0.00840 150 3PX 0.01287 0.00208 -0.00614 -0.00675 0.00804 151 3PY -0.01947 0.00260 -0.00614 -0.01518 -0.00076 152 3PZ 0.01837 0.00092 -0.00469 -0.00523 0.00886 153 4XX 0.00067 -0.00012 0.00034 0.00028 -0.00028 154 4YY 0.00015 -0.00012 0.00021 0.00017 0.00052 155 4ZZ -0.00040 -0.00010 0.00019 -0.00013 -0.00023 156 4XY 0.00043 -0.00009 0.00022 0.00113 -0.00053 157 4XZ -0.00174 0.00001 0.00001 -0.00181 -0.00036 158 4YZ 0.00049 -0.00003 -0.00002 0.00051 -0.00004 159 15 C 1S -0.00064 0.00017 0.00030 -0.00062 -0.00034 160 2S -0.00290 -0.00032 -0.00040 -0.00050 0.00148 161 2PX -0.02268 0.00064 -0.00313 -0.02007 -0.00167 162 2PY 0.00476 0.00007 0.00067 0.00058 0.00222 163 2PZ -0.01122 0.00055 -0.00034 -0.01189 0.00108 164 3S 0.01047 -0.00149 0.00641 0.00854 -0.00835 165 3PX -0.02741 0.00036 -0.00155 -0.02170 -0.00126 166 3PY 0.00600 0.00011 0.00106 0.00218 0.00103 167 3PZ -0.02104 0.00205 -0.00568 -0.01803 0.00503 168 4XX 0.00027 0.00009 -0.00030 0.00010 0.00007 169 4YY -0.00060 0.00005 -0.00012 -0.00069 0.00036 170 4ZZ -0.00197 -0.00009 0.00025 -0.00045 -0.00042 171 4XY -0.00113 -0.00039 0.00091 0.00128 -0.00035 172 4XZ -0.00088 0.00001 0.00006 -0.00034 -0.00013 173 4YZ -0.00011 -0.00016 0.00020 0.00087 -0.00017 174 16 H 1S -0.00258 0.00130 -0.00406 -0.00787 -0.00129 175 2S 0.00181 -0.00056 -0.00094 0.00138 0.00569 176 17 H 1S -0.00069 0.00125 -0.00261 -0.00526 -0.00239 177 2S -0.00061 -0.00309 0.00678 -0.00002 0.01304 178 18 H 1S 0.00327 -0.00258 0.00478 0.01275 -0.00189 179 2S 0.00566 -0.00236 0.00441 0.02355 -0.00792 180 19 H 1S 0.00327 0.00093 -0.00183 0.00017 0.00170 181 2S 0.00566 0.00141 -0.00309 -0.00321 0.00048 182 20 H 1S -0.00069 0.00034 -0.00088 -0.00065 0.00349 183 2S -0.00061 0.00124 -0.00302 -0.00816 0.00103 184 21 H 1S -0.00258 -0.00024 0.00104 -0.00036 0.00029 185 2S 0.00181 -0.00051 0.00232 0.00181 -0.00247 186 22 H 1S -0.00781 0.00282 -0.00546 -0.01672 0.00082 187 2S -0.02543 0.00487 -0.01002 -0.04162 0.00279 188 23 H 1S -0.00781 -0.00084 0.00221 -0.00346 -0.00090 189 2S -0.02543 -0.00168 0.00460 -0.01451 -0.00447 71 72 73 74 75 71 2PZ 0.74389 72 3S 0.11212 0.76069 73 3PX 0.14987 -0.01069 0.23557 74 3PY 0.00053 0.13518 -0.05353 0.27449 75 3PZ 0.49384 0.07654 0.12927 0.00435 0.33562 76 4XX 0.00255 -0.00067 0.00334 0.00251 0.00185 77 4YY 0.00096 -0.01783 0.00225 -0.02579 -0.00021 78 4ZZ -0.01860 -0.01080 -0.00471 0.00415 -0.01188 79 4XY -0.00501 0.00352 -0.01606 0.00408 -0.00536 80 4XZ 0.00375 -0.00701 -0.00438 0.00132 0.00179 81 4YZ -0.02954 -0.00677 -0.00422 -0.00517 -0.01899 82 9 H 1S -0.06397 -0.05214 -0.01062 0.00658 -0.05254 83 2S -0.11726 -0.03216 -0.03139 0.02009 -0.08474 84 10 C 1S -0.00063 -0.00251 -0.00044 0.00028 -0.00024 85 2S -0.01549 -0.00867 -0.00850 0.00156 -0.00918 86 2PX 0.01403 0.03775 0.01225 -0.01626 0.00683 87 2PY -0.00533 -0.00003 -0.00192 -0.00301 -0.00427 88 2PZ -0.00171 0.02601 0.00782 -0.01028 -0.00549 89 3S 0.05106 -0.00297 0.01867 -0.00433 0.03327 90 3PX -0.00745 0.01931 -0.00006 -0.01577 -0.00944 91 3PY -0.01534 -0.00177 -0.00417 -0.00375 -0.01007 92 3PZ -0.03940 0.00850 -0.01153 -0.00898 -0.02902 93 4XX 0.00109 0.00056 0.00131 -0.00067 0.00086 94 4YY -0.00148 -0.00028 -0.00044 -0.00032 -0.00085 95 4ZZ -0.00451 -0.00241 -0.00271 -0.00014 -0.00364 96 4XY 0.00238 0.00047 0.00153 0.00013 0.00237 97 4XZ -0.00090 -0.00121 -0.00093 -0.00014 -0.00098 98 4YZ -0.00001 0.00080 0.00048 -0.00010 0.00000 99 11 C 1S 0.00866 0.00061 0.00484 -0.00011 0.00749 100 2S -0.01317 -0.01746 -0.01409 0.00345 -0.00983 101 2PX 0.06209 0.05591 0.05227 -0.00651 0.05298 102 2PY 0.01558 0.00874 0.01129 -0.00475 0.01507 103 2PZ 0.02921 0.00523 0.01699 -0.00072 0.02889 104 3S -0.09211 -0.02042 -0.04105 -0.00960 -0.06528 105 3PX 0.03824 0.02385 0.03457 -0.01157 0.03393 106 3PY 0.05302 -0.00111 0.02403 -0.00613 0.03854 107 3PZ 0.04299 0.02508 0.02365 0.00743 0.03639 108 4XX 0.00251 -0.00019 0.00191 -0.00012 0.00158 109 4YY 0.00015 -0.00078 -0.00033 0.00010 0.00028 110 4ZZ 0.00078 0.00104 0.00043 -0.00035 0.00031 111 4XY -0.00019 -0.00071 -0.00084 0.00010 -0.00031 112 4XZ 0.00164 0.00046 0.00008 -0.00086 0.00070 113 4YZ -0.00033 0.00033 -0.00012 -0.00035 -0.00054 114 12 C 1S 0.00003 -0.00055 -0.00206 -0.00172 -0.00059 115 2S -0.00152 0.01055 0.00959 -0.00105 -0.00081 116 2PX -0.00341 -0.02855 -0.01531 0.00127 -0.00060 117 2PY -0.00211 0.00687 -0.00032 0.00053 -0.00217 118 2PZ 0.00841 -0.01185 -0.00167 0.00238 0.00828 119 3S 0.03275 0.01109 0.01575 0.02545 0.02360 120 3PX -0.00614 -0.01174 -0.00004 -0.00761 -0.00190 121 3PY 0.00409 0.01352 0.00815 0.00039 0.00476 122 3PZ 0.03341 -0.00007 0.01213 0.00169 0.02472 123 4XX -0.00241 -0.00312 -0.00320 -0.00004 -0.00227 124 4YY 0.00108 0.00022 0.00123 -0.00027 0.00116 125 4ZZ 0.00235 0.00269 0.00273 -0.00060 0.00196 126 4XY 0.00008 -0.00112 -0.00027 0.00008 0.00018 127 4XZ -0.00013 -0.00009 -0.00015 -0.00037 -0.00011 128 4YZ 0.00117 0.00005 0.00031 0.00016 0.00101 129 13 C 1S -0.00361 -0.00062 -0.00366 0.00033 -0.00369 130 2S 0.00759 -0.00499 0.00588 0.00159 0.00831 131 2PX -0.00808 0.00697 -0.00780 -0.00074 -0.00906 132 2PY 0.00167 0.00506 0.00547 -0.00191 0.00125 133 2PZ 0.00525 0.00339 0.00518 -0.00125 0.00448 134 3S 0.03074 0.01358 0.02874 -0.00689 0.03049 135 3PX 0.00084 -0.00142 -0.00212 0.00480 -0.00031 136 3PY -0.00402 0.00753 0.00357 -0.00664 -0.00307 137 3PZ 0.00184 0.00147 0.00617 -0.00281 0.00230 138 4XX -0.00118 0.00070 -0.00108 -0.00013 -0.00099 139 4YY 0.00025 -0.00016 0.00051 0.00027 0.00025 140 4ZZ 0.00073 -0.00058 0.00048 0.00030 0.00052 141 4XY 0.00016 -0.00126 -0.00023 0.00013 0.00030 142 4XZ -0.00038 -0.00016 -0.00058 0.00013 -0.00046 143 4YZ -0.00034 -0.00041 -0.00025 -0.00005 -0.00017 144 14 C 1S -0.00102 0.00101 -0.00035 0.00002 -0.00184 145 2S 0.00620 0.00705 0.00720 -0.00141 0.00706 146 2PX 0.00801 -0.01489 0.00157 0.00583 0.00302 147 2PY -0.00389 0.00945 0.00442 -0.00675 -0.00182 148 2PZ 0.00418 0.00560 0.00312 0.00124 -0.00072 149 3S -0.00223 -0.00785 -0.00781 0.00526 -0.00102 150 3PX -0.00040 -0.01129 -0.00337 0.00638 -0.00407 151 3PY -0.01152 -0.00441 -0.01145 -0.00116 -0.00956 152 3PZ 0.00888 0.00202 0.00045 0.00584 0.00421 153 4XX -0.00064 -0.00003 -0.00008 -0.00023 -0.00059 154 4YY 0.00104 0.00004 0.00017 0.00054 0.00085 155 4ZZ -0.00054 0.00037 -0.00021 -0.00038 -0.00068 156 4XY 0.00061 0.00019 0.00088 -0.00043 0.00053 157 4XZ -0.00291 0.00034 -0.00170 -0.00067 -0.00291 158 4YZ 0.00067 0.00034 0.00056 -0.00006 0.00055 159 15 C 1S -0.00118 -0.00277 -0.00096 0.00088 -0.00123 160 2S 0.00070 0.00563 0.00147 -0.00020 0.00051 161 2PX -0.02971 0.00737 -0.01782 -0.00990 -0.03369 162 2PY 0.00332 -0.00387 0.00060 0.00307 0.00486 163 2PZ -0.01574 -0.00662 -0.01389 -0.00115 -0.01600 164 3S -0.01134 0.00588 0.00558 -0.00722 -0.00619 165 3PX -0.03542 0.00152 -0.02051 -0.00686 -0.03489 166 3PY -0.00041 -0.00014 0.00227 0.00142 0.00288 167 3PZ -0.01215 -0.00465 -0.01529 0.00110 -0.01450 168 4XX -0.00015 -0.00071 0.00000 0.00011 -0.00016 169 4YY -0.00069 -0.00058 -0.00055 0.00039 -0.00043 170 4ZZ -0.00152 0.00027 -0.00055 -0.00036 -0.00104 171 4XY 0.00076 0.00184 0.00063 -0.00066 0.00052 172 4XZ -0.00058 0.00001 -0.00044 -0.00009 -0.00047 173 4YZ 0.00064 0.00139 0.00081 -0.00040 0.00035 174 16 H 1S -0.01335 0.00047 -0.00364 -0.00134 -0.01084 175 2S 0.00826 0.00858 0.00378 0.00262 0.00332 176 17 H 1S -0.00185 -0.00517 -0.00311 -0.00103 0.00062 177 2S 0.00161 0.01142 0.00016 0.00824 0.00428 178 18 H 1S 0.00315 0.01925 0.01151 -0.00251 0.00139 179 2S 0.02459 0.01852 0.01923 -0.00760 0.01707 180 19 H 1S 0.00091 -0.00731 -0.00048 0.00153 0.00141 181 2S -0.00475 -0.00846 -0.00270 0.00017 -0.00447 182 20 H 1S 0.00569 -0.00296 -0.00011 0.00390 0.00487 183 2S -0.00003 -0.00582 -0.00565 0.00233 -0.00050 184 21 H 1S -0.00077 -0.00178 -0.00173 0.00055 -0.00012 185 2S -0.00436 -0.00258 -0.00070 -0.00096 -0.00156 186 22 H 1S -0.00972 -0.02004 -0.01460 0.00185 -0.00719 187 2S -0.02838 -0.02791 -0.03393 0.00266 -0.02418 188 23 H 1S -0.00468 0.00626 -0.00396 -0.00110 -0.00449 189 2S -0.02097 0.01140 -0.01388 -0.00490 -0.01876 76 77 78 79 80 76 4XX 0.00074 77 4YY -0.00028 0.00293 78 4ZZ 0.00002 -0.00029 0.00115 79 4XY -0.00009 -0.00013 0.00025 0.00154 80 4XZ -0.00011 0.00005 -0.00011 0.00035 0.00055 81 4YZ -0.00027 0.00043 0.00061 -0.00006 -0.00011 82 9 H 1S 0.00087 0.00015 0.00490 0.00129 -0.00491 83 2S -0.00049 -0.00212 0.00625 0.00065 -0.00411 84 10 C 1S 0.00010 -0.00004 -0.00011 0.00000 -0.00013 85 2S -0.00042 0.00018 0.00126 0.00055 0.00040 86 2PX -0.00075 0.00183 -0.00155 -0.00050 -0.00269 87 2PY -0.00008 0.00015 0.00018 0.00025 -0.00003 88 2PZ -0.00040 -0.00016 -0.00168 -0.00059 -0.00094 89 3S 0.00091 0.00034 -0.00145 -0.00080 0.00037 90 3PX -0.00020 0.00150 -0.00106 0.00012 -0.00182 91 3PY -0.00041 0.00035 0.00060 0.00034 -0.00029 92 3PZ -0.00044 0.00067 0.00020 0.00044 -0.00077 93 4XX -0.00003 0.00004 -0.00004 -0.00009 -0.00007 94 4YY -0.00010 0.00003 0.00006 0.00003 -0.00002 95 4ZZ 0.00012 0.00001 0.00005 0.00014 0.00007 96 4XY -0.00017 0.00003 0.00013 -0.00008 -0.00003 97 4XZ 0.00017 0.00002 -0.00009 0.00003 0.00004 98 4YZ -0.00007 -0.00007 0.00001 -0.00004 0.00001 99 11 C 1S -0.00003 0.00025 0.00030 -0.00038 -0.00027 100 2S 0.00044 0.00059 0.00092 0.00095 0.00084 101 2PX -0.00442 0.00046 0.00040 -0.00295 -0.00236 102 2PY -0.00134 0.00067 -0.00037 -0.00044 -0.00032 103 2PZ -0.00168 0.00094 0.00115 -0.00067 -0.00077 104 3S 0.00033 0.00178 0.00200 0.00204 0.00053 105 3PX -0.00300 0.00115 0.00059 -0.00209 -0.00173 106 3PY -0.00034 0.00060 -0.00102 -0.00096 -0.00002 107 3PZ -0.00159 -0.00051 0.00014 -0.00127 -0.00067 108 4XX 0.00023 -0.00007 -0.00017 -0.00014 -0.00003 109 4YY -0.00008 0.00004 0.00001 0.00002 0.00005 110 4ZZ -0.00007 -0.00002 -0.00003 -0.00001 -0.00005 111 4XY 0.00009 -0.00001 -0.00003 0.00002 0.00005 112 4XZ 0.00016 0.00008 -0.00015 0.00003 -0.00011 113 4YZ 0.00002 -0.00002 -0.00008 -0.00001 -0.00001 114 12 C 1S 0.00012 -0.00010 -0.00034 0.00009 -0.00013 115 2S -0.00090 -0.00042 -0.00011 -0.00065 -0.00010 116 2PX 0.00191 0.00058 0.00008 0.00087 0.00037 117 2PY -0.00015 -0.00020 0.00015 -0.00031 -0.00003 118 2PZ 0.00081 0.00036 0.00070 0.00007 0.00006 119 3S -0.00072 -0.00274 -0.00033 -0.00088 0.00093 120 3PX 0.00083 0.00091 0.00005 -0.00015 -0.00011 121 3PY -0.00053 -0.00032 0.00009 -0.00069 -0.00013 122 3PZ 0.00058 -0.00001 -0.00031 -0.00047 -0.00010 123 4XX 0.00032 0.00003 -0.00004 0.00017 0.00010 124 4YY -0.00008 0.00004 0.00002 -0.00006 -0.00002 125 4ZZ -0.00019 0.00003 -0.00001 -0.00016 -0.00010 126 4XY 0.00006 0.00001 0.00001 0.00001 0.00001 127 4XZ 0.00002 0.00002 -0.00003 0.00001 -0.00002 128 4YZ 0.00002 0.00002 0.00001 -0.00002 -0.00002 129 13 C 1S 0.00027 0.00008 -0.00004 0.00015 0.00001 130 2S -0.00037 0.00010 0.00041 -0.00024 0.00003 131 2PX 0.00026 -0.00004 -0.00041 0.00029 0.00002 132 2PY -0.00051 -0.00005 -0.00037 -0.00001 -0.00013 133 2PZ -0.00048 -0.00014 0.00005 -0.00011 0.00009 134 3S -0.00159 0.00021 0.00074 -0.00152 -0.00053 135 3PX -0.00004 -0.00025 0.00005 0.00010 0.00008 136 3PY -0.00025 0.00046 -0.00043 -0.00002 -0.00030 137 3PZ -0.00035 0.00005 0.00006 -0.00013 0.00008 138 4XX 0.00000 0.00003 0.00003 0.00007 -0.00001 139 4YY -0.00003 -0.00003 0.00000 -0.00004 0.00001 140 4ZZ 0.00005 -0.00003 -0.00004 -0.00004 0.00001 141 4XY 0.00004 0.00002 0.00003 0.00002 0.00001 142 4XZ 0.00004 0.00001 -0.00002 0.00002 0.00001 143 4YZ 0.00003 0.00003 0.00004 0.00001 -0.00001 144 14 C 1S 0.00036 -0.00018 -0.00033 -0.00006 0.00003 145 2S -0.00081 -0.00013 0.00024 -0.00026 -0.00020 146 2PX 0.00128 -0.00076 -0.00126 -0.00034 0.00061 147 2PY -0.00060 -0.00003 0.00029 0.00010 -0.00015 148 2PZ 0.00032 -0.00104 -0.00124 -0.00031 0.00021 149 3S -0.00078 -0.00018 0.00069 0.00056 -0.00010 150 3PX 0.00131 -0.00066 -0.00124 -0.00016 0.00064 151 3PY -0.00004 -0.00002 0.00035 0.00050 0.00005 152 3PZ 0.00027 -0.00119 -0.00071 -0.00023 0.00038 153 4XX 0.00006 0.00002 -0.00001 0.00001 0.00001 154 4YY -0.00001 -0.00001 0.00000 -0.00003 0.00000 155 4ZZ 0.00007 0.00001 -0.00008 0.00002 -0.00001 156 4XY -0.00002 0.00003 -0.00001 -0.00002 -0.00003 157 4XZ 0.00018 0.00004 -0.00017 0.00010 0.00000 158 4YZ -0.00003 -0.00002 0.00001 -0.00002 0.00000 159 15 C 1S 0.00038 0.00014 0.00034 0.00004 0.00003 160 2S -0.00036 -0.00032 -0.00016 -0.00003 -0.00005 161 2PX 0.00242 0.00037 -0.00314 0.00089 -0.00067 162 2PY -0.00028 0.00024 0.00064 -0.00007 0.00015 163 2PZ 0.00143 0.00065 -0.00098 0.00058 -0.00021 164 3S -0.00044 0.00061 -0.00002 -0.00006 -0.00034 165 3PX 0.00213 0.00047 -0.00210 0.00107 -0.00041 166 3PY -0.00082 0.00010 0.00084 -0.00008 -0.00016 167 3PZ 0.00124 0.00001 -0.00107 0.00071 -0.00001 168 4XX 0.00003 0.00001 -0.00001 -0.00001 0.00000 169 4YY 0.00000 0.00000 0.00005 0.00002 0.00001 170 4ZZ -0.00003 0.00003 0.00005 0.00004 -0.00003 171 4XY -0.00005 0.00008 -0.00003 -0.00002 -0.00012 172 4XZ 0.00001 0.00003 0.00001 0.00001 0.00000 173 4YZ -0.00004 -0.00002 -0.00007 -0.00004 -0.00004 174 16 H 1S -0.00012 -0.00052 0.00005 0.00015 0.00039 175 2S 0.00019 -0.00103 -0.00066 -0.00023 0.00027 176 17 H 1S -0.00048 0.00063 0.00014 0.00034 0.00032 177 2S -0.00078 -0.00041 0.00015 0.00006 -0.00008 178 18 H 1S -0.00134 -0.00040 -0.00038 -0.00065 -0.00033 179 2S -0.00120 0.00027 -0.00064 -0.00086 -0.00069 180 19 H 1S 0.00042 0.00010 0.00013 -0.00007 0.00006 181 2S 0.00082 0.00013 -0.00029 0.00013 0.00020 182 20 H 1S -0.00010 0.00003 0.00005 -0.00015 -0.00001 183 2S 0.00025 -0.00002 -0.00007 -0.00003 0.00015 184 21 H 1S 0.00000 0.00012 0.00016 0.00010 -0.00005 185 2S -0.00020 0.00029 0.00056 0.00003 -0.00015 186 22 H 1S 0.00151 0.00015 0.00007 0.00072 0.00045 187 2S 0.00237 0.00023 -0.00001 0.00189 0.00068 188 23 H 1S -0.00013 0.00009 0.00004 0.00016 -0.00004 189 2S 0.00012 0.00034 -0.00022 0.00071 -0.00016 81 82 83 84 85 81 4YZ 0.00156 82 9 H 1S -0.00201 0.22384 83 2S 0.00132 0.16995 0.15548 84 10 C 1S -0.00002 0.00050 0.00031 2.05282 85 2S 0.00061 0.00107 0.00288 -0.06255 0.32755 86 2PX -0.00133 0.00437 -0.01399 -0.00140 0.00252 87 2PY 0.00015 0.00073 0.00267 -0.00096 -0.00036 88 2PZ -0.00007 0.00111 -0.00045 -0.00131 -0.00543 89 3S -0.00217 -0.00792 -0.01359 -0.15830 0.24228 90 3PX -0.00051 0.00602 -0.00451 0.00114 -0.00315 91 3PY 0.00048 0.00032 0.00105 -0.00251 0.01344 92 3PZ 0.00129 0.00599 0.00647 -0.00982 0.03047 93 4XX -0.00002 0.00017 0.00001 -0.01240 -0.01304 94 4YY 0.00009 0.00029 0.00042 -0.01693 -0.00310 95 4ZZ 0.00013 0.00050 0.00117 -0.01781 -0.00166 96 4XY -0.00005 -0.00017 0.00023 0.00134 -0.00254 97 4XZ -0.00001 0.00018 0.00015 0.00350 -0.00743 98 4YZ 0.00001 0.00001 0.00039 -0.00175 0.00281 99 11 C 1S -0.00036 -0.00090 -0.00194 0.01820 -0.03656 100 2S 0.00061 0.00132 0.00386 -0.03387 0.06338 101 2PX -0.00133 -0.00532 -0.01248 0.01248 -0.02889 102 2PY 0.00013 -0.00104 -0.00334 0.03915 -0.07811 103 2PZ -0.00079 -0.00240 -0.00851 -0.06920 0.14401 104 3S 0.00375 0.01209 0.02084 -0.01204 0.03990 105 3PX -0.00076 -0.00158 -0.00651 -0.00123 0.00105 106 3PY -0.00165 -0.00876 -0.01474 0.01123 -0.02913 107 3PZ -0.00120 -0.00402 -0.00778 -0.01450 0.03845 108 4XX -0.00017 -0.00031 -0.00056 0.00275 -0.00570 109 4YY 0.00004 -0.00002 -0.00005 0.00161 -0.00337 110 4ZZ -0.00006 0.00003 -0.00026 -0.00434 0.00759 111 4XY -0.00001 -0.00004 0.00022 -0.00115 0.00233 112 4XZ -0.00017 0.00001 -0.00094 0.00133 -0.00236 113 4YZ 0.00001 0.00002 0.00021 0.00435 -0.00871 114 12 C 1S -0.00005 0.00011 -0.00052 -0.00306 0.00583 115 2S 0.00045 0.00010 0.00168 0.00645 -0.01548 116 2PX -0.00045 0.00003 -0.00244 -0.00664 0.01796 117 2PY 0.00006 0.00019 0.00261 0.00144 -0.00333 118 2PZ -0.00042 -0.00255 -0.00161 0.01299 -0.03365 119 3S -0.00078 -0.00594 -0.00471 0.00807 -0.01543 120 3PX 0.00027 0.00051 -0.00073 -0.00507 0.01254 121 3PY 0.00010 -0.00054 0.00161 0.00350 -0.00783 122 3PZ -0.00133 -0.00587 -0.00809 0.00772 -0.01717 123 4XX 0.00000 0.00010 0.00038 0.00040 -0.00111 124 4YY 0.00001 -0.00005 -0.00008 0.00066 -0.00161 125 4ZZ -0.00003 -0.00019 -0.00058 -0.00193 0.00383 126 4XY -0.00002 -0.00003 -0.00004 -0.00037 0.00095 127 4XZ 0.00000 0.00000 -0.00012 0.00028 -0.00057 128 4YZ -0.00003 -0.00018 -0.00031 0.00043 -0.00131 129 13 C 1S 0.00000 0.00011 -0.00052 -0.00268 0.00519 130 2S -0.00006 0.00010 0.00168 0.00477 -0.00902 131 2PX -0.00011 0.00003 -0.00244 -0.00575 0.00901 132 2PY 0.00004 -0.00019 -0.00261 0.00391 -0.00924 133 2PZ -0.00009 -0.00255 -0.00161 0.00545 -0.01011 134 3S -0.00006 -0.00594 -0.00472 0.01276 -0.02471 135 3PX -0.00024 0.00051 -0.00073 -0.00401 0.00652 136 3PY 0.00008 0.00054 -0.00161 0.00322 -0.00782 137 3PZ 0.00010 -0.00587 -0.00809 0.00300 -0.00542 138 4XX -0.00005 0.00010 0.00038 -0.00003 0.00016 139 4YY 0.00003 -0.00005 -0.00008 -0.00013 0.00028 140 4ZZ 0.00001 -0.00019 -0.00058 -0.00007 -0.00015 141 4XY -0.00001 0.00003 0.00004 -0.00012 0.00054 142 4XZ -0.00001 0.00000 -0.00012 -0.00034 0.00061 143 4YZ -0.00001 0.00018 0.00031 0.00016 -0.00069 144 14 C 1S 0.00003 -0.00090 -0.00194 -0.00341 0.00805 145 2S -0.00005 0.00132 0.00386 0.00799 -0.01931 146 2PX 0.00071 -0.00532 -0.01248 -0.00013 -0.00049 147 2PY -0.00019 0.00104 0.00334 0.01143 -0.02690 148 2PZ 0.00044 -0.00240 -0.00851 0.00945 -0.03038 149 3S -0.00019 0.01209 0.02084 0.00706 -0.01923 150 3PX 0.00054 -0.00158 -0.00651 -0.00155 0.00072 151 3PY 0.00017 0.00876 0.01474 0.00344 -0.00954 152 3PZ 0.00034 -0.00402 -0.00778 0.00614 -0.01691 153 4XX -0.00004 -0.00031 -0.00056 0.00018 -0.00032 154 4YY -0.00001 -0.00002 -0.00005 -0.00185 0.00428 155 4ZZ 0.00000 0.00003 -0.00026 0.00103 -0.00218 156 4XY 0.00000 0.00004 -0.00022 0.00017 -0.00048 157 4XZ 0.00002 0.00001 -0.00094 -0.00043 0.00068 158 4YZ -0.00001 -0.00002 -0.00021 -0.00123 0.00226 159 15 C 1S 0.00007 0.00050 0.00031 0.01657 -0.03200 160 2S 0.00007 0.00107 0.00288 -0.03200 0.05429 161 2PX 0.00048 0.00437 -0.01399 -0.00531 0.00508 162 2PY -0.00010 -0.00073 -0.00267 -0.07761 0.16009 163 2PZ 0.00010 0.00111 -0.00045 -0.00242 0.00891 164 3S 0.00041 -0.00792 -0.01359 -0.00528 0.03319 165 3PX 0.00051 0.00602 -0.00451 -0.00336 0.00532 166 3PY 0.00017 -0.00032 -0.00105 -0.01369 0.04243 167 3PZ -0.00003 0.00599 0.00647 0.00238 -0.01063 168 4XX 0.00001 0.00017 0.00001 0.00227 -0.00499 169 4YY 0.00004 0.00029 0.00042 -0.00698 0.01226 170 4ZZ 0.00001 0.00050 0.00117 0.00297 -0.00672 171 4XY -0.00008 0.00017 -0.00023 0.00005 -0.00010 172 4XZ -0.00002 0.00018 0.00015 -0.00043 0.00120 173 4YZ -0.00002 -0.00001 -0.00039 -0.00025 -0.00026 174 16 H 1S 0.00060 0.00013 0.00523 -0.06047 0.11437 175 2S -0.00033 0.00040 0.00336 -0.01307 0.02613 176 17 H 1S 0.00055 0.00047 0.00051 0.01202 -0.02505 177 2S 0.00024 0.00154 0.00165 0.01331 -0.02557 178 18 H 1S 0.00017 0.00038 0.00003 -0.00765 0.01861 179 2S -0.00077 -0.00304 -0.00685 -0.01117 0.02682 180 19 H 1S 0.00006 0.00038 0.00003 -0.00055 0.00024 181 2S 0.00020 -0.00304 -0.00685 -0.00112 0.00004 182 20 H 1S 0.00004 0.00047 0.00051 -0.00834 0.01854 183 2S 0.00035 0.00154 0.00165 -0.01169 0.02553 184 21 H 1S -0.00007 0.00013 0.00523 0.01228 -0.02561 185 2S 0.00010 0.00040 0.00336 0.01413 -0.02480 186 22 H 1S -0.00006 0.00041 0.00113 0.00146 -0.00211 187 2S 0.00009 0.00366 0.00550 0.00149 -0.00233 188 23 H 1S -0.00015 0.00041 0.00113 -0.00129 0.00194 189 2S 0.00001 0.00366 0.00550 -0.00202 0.00358 86 87 88 89 90 86 2PX 0.35515 87 2PY 0.00139 0.41443 88 2PZ -0.03125 -0.00023 0.40211 89 3S 0.00290 -0.01318 0.04226 0.23665 90 3PX 0.21933 0.01072 0.03527 0.00652 0.14682 91 3PY 0.02696 0.13648 0.00083 -0.00804 0.02135 92 3PZ 0.04210 0.01216 0.12273 0.02201 0.04332 93 4XX 0.00071 0.00285 0.00347 -0.00857 0.00095 94 4YY 0.00128 -0.01322 0.00402 -0.00280 0.00122 95 4ZZ -0.00664 0.01342 -0.00166 0.00017 -0.00369 96 4XY 0.00125 -0.00159 -0.00728 -0.00508 -0.00039 97 4XZ -0.00287 -0.00739 -0.00687 -0.00603 -0.00244 98 4YZ -0.00873 0.00073 0.01435 0.00534 -0.00323 99 11 C 1S -0.01017 -0.03660 0.07343 0.00947 0.00716 100 2S 0.01982 0.07637 -0.14773 0.01598 -0.00750 101 2PX 0.18248 -0.00838 0.12423 -0.01395 0.12104 102 2PY 0.00825 -0.05069 0.15364 -0.09104 0.02348 103 2PZ 0.15744 0.15691 -0.18240 0.06287 0.07217 104 3S 0.00233 0.05280 -0.16228 -0.02058 -0.01949 105 3PX 0.13403 0.00030 0.05752 -0.00534 0.08766 106 3PY 0.01793 -0.00611 0.06278 -0.01666 0.01808 107 3PZ 0.08770 0.07191 -0.04939 0.00407 0.04373 108 4XX -0.00647 -0.00277 0.00709 -0.00163 -0.00328 109 4YY -0.00018 -0.01232 0.00173 -0.00546 -0.00019 110 4ZZ 0.00511 0.00900 0.00395 0.00805 0.00416 111 4XY -0.00459 -0.00024 -0.00387 0.00182 -0.00308 112 4XZ 0.01199 -0.00174 0.00221 -0.00125 0.00835 113 4YZ -0.00393 0.00305 0.00980 -0.00542 -0.00080 114 12 C 1S 0.00800 0.00177 -0.01006 0.00444 0.00641 115 2S -0.01868 -0.00611 0.02653 -0.01030 -0.01376 116 2PX -0.01458 0.00155 -0.04034 -0.01306 -0.02221 117 2PY -0.00706 0.00385 0.00504 0.01033 -0.00644 118 2PZ -0.02312 -0.01220 0.03950 -0.02962 -0.01983 119 3S -0.07166 0.00865 0.03254 0.01325 -0.04951 120 3PX -0.00725 -0.01112 -0.03982 -0.00855 -0.01467 121 3PY -0.01742 0.00438 0.01673 -0.00847 -0.01147 122 3PZ -0.00501 -0.00144 0.02931 -0.00547 -0.00461 123 4XX -0.00869 -0.00081 -0.00240 -0.00076 -0.00586 124 4YY -0.00031 -0.00172 0.00373 -0.00258 0.00026 125 4ZZ 0.00968 0.00408 -0.00456 0.00336 0.00567 126 4XY -0.00075 0.00158 -0.00273 -0.00144 -0.00151 127 4XZ -0.00042 -0.00099 0.00335 -0.00060 0.00016 128 4YZ 0.00132 -0.00070 0.00275 -0.00064 0.00078 129 13 C 1S 0.00449 -0.00369 -0.00385 0.01311 0.00381 130 2S -0.01318 0.00692 0.00530 -0.02268 -0.00986 131 2PX 0.01475 -0.01711 -0.00024 0.06531 0.02460 132 2PY 0.01091 -0.01171 0.02808 -0.01717 0.01252 133 2PZ -0.01766 0.01847 -0.00079 -0.04682 -0.01384 134 3S -0.01194 0.02743 0.02149 -0.06191 -0.01100 135 3PX 0.00232 -0.02113 0.00156 0.03593 0.00871 136 3PY 0.02237 -0.00755 0.02812 -0.01389 0.01969 137 3PZ 0.00005 0.01411 0.00024 -0.02411 -0.00260 138 4XX 0.00104 0.00096 0.00004 -0.00046 0.00163 139 4YY -0.00171 -0.00189 0.00034 0.00085 -0.00143 140 4ZZ 0.00005 0.00125 -0.00056 0.00166 -0.00045 141 4XY -0.00063 -0.00033 -0.00079 -0.00174 -0.00133 142 4XZ 0.00073 -0.00126 0.00051 0.00292 0.00088 143 4YZ -0.00022 -0.00093 0.00099 -0.00025 -0.00013 144 14 C 1S 0.00518 -0.01241 -0.00307 -0.00219 -0.00079 145 2S -0.01249 0.03302 0.00919 -0.01801 -0.00485 146 2PX -0.02109 0.00143 -0.00883 0.00516 -0.02906 147 2PY -0.00683 0.03368 0.00518 -0.08499 0.00005 148 2PZ -0.01522 0.03576 0.01473 0.04251 0.00316 149 3S -0.03007 0.02491 0.04787 -0.00699 -0.00547 150 3PX -0.03301 -0.01268 -0.01350 0.02003 -0.02961 151 3PY -0.01632 -0.00508 0.00176 -0.02323 -0.00540 152 3PZ -0.02828 0.02793 0.01867 0.02045 -0.01332 153 4XX 0.00004 0.00146 0.00054 -0.00182 0.00031 154 4YY -0.00018 -0.00989 -0.00142 0.00641 -0.00066 155 4ZZ 0.00229 0.00349 0.00132 -0.00234 0.00170 156 4XY 0.00264 0.00132 0.00153 -0.00040 0.00147 157 4XZ 0.00707 -0.00076 0.00333 0.00340 0.00530 158 4YZ 0.00037 -0.00717 -0.00061 0.00410 0.00031 159 15 C 1S -0.00531 0.07761 -0.00241 -0.00528 -0.00336 160 2S 0.00509 -0.16009 0.00888 0.03319 0.00532 161 2PX 0.15912 -0.00476 0.06116 0.06256 0.10963 162 2PY 0.00477 -0.31360 0.00713 0.12723 -0.00899 163 2PZ 0.06116 -0.00719 0.03633 -0.01565 0.03494 164 3S 0.06257 -0.12723 -0.01567 -0.00851 0.03448 165 3PX 0.10963 0.00900 0.03495 0.03447 0.07523 166 3PY 0.01074 -0.09233 0.00474 0.01714 0.00230 167 3PZ 0.02032 -0.02059 0.04579 0.00084 0.01982 168 4XX -0.00125 0.00696 0.00063 -0.00356 -0.00082 169 4YY -0.00003 -0.00598 -0.00110 0.01149 -0.00057 170 4ZZ -0.00035 0.01109 -0.00034 -0.00851 0.00037 171 4XY 0.01330 0.00062 -0.00048 -0.00173 0.00840 172 4XZ 0.00055 -0.00204 0.00042 0.00212 0.00081 173 4YZ -0.00001 0.00121 0.01310 0.00433 0.00212 174 16 H 1S -0.10770 0.13131 0.20429 0.11163 -0.03752 175 2S -0.10364 0.11573 0.18744 0.05136 -0.03642 176 17 H 1S 0.00096 -0.03529 0.02659 -0.05395 0.00252 177 2S 0.00976 -0.07177 0.04539 -0.05132 0.00957 178 18 H 1S 0.02816 0.01507 -0.01740 0.02092 0.01982 179 2S 0.07206 0.02255 -0.02834 0.02507 0.04660 180 19 H 1S -0.00220 -0.00239 -0.00167 0.01612 -0.00418 181 2S 0.00425 -0.00404 0.00328 0.02477 0.00014 182 20 H 1S 0.00155 -0.03521 -0.00164 0.05322 -0.00062 183 2S -0.00347 -0.06911 -0.01170 0.05940 -0.00551 184 21 H 1S 0.00303 0.04307 -0.02280 -0.06018 -0.00165 185 2S 0.01688 0.08410 -0.04847 -0.06560 0.00208 186 22 H 1S -0.03905 -0.00246 -0.01315 -0.01502 -0.03447 187 2S -0.03686 0.00133 -0.01425 -0.01375 -0.02833 188 23 H 1S 0.00672 0.00025 -0.00058 0.02356 0.01370 189 2S 0.02594 0.00482 0.00549 0.02297 0.02957 91 92 93 94 95 91 3PY 0.05806 92 3PZ 0.01311 0.05819 93 4XX 0.00047 0.00024 0.00073 94 4YY -0.00303 0.00086 0.00012 0.00115 95 4ZZ 0.00273 -0.00117 0.00023 -0.00055 0.00110 96 4XY 0.00047 -0.00152 0.00013 0.00010 -0.00021 97 4XZ -0.00263 -0.00329 0.00011 0.00029 -0.00017 98 4YZ -0.00013 0.00261 0.00002 -0.00007 0.00015 99 11 C 1S -0.00664 0.00572 0.00197 0.00121 -0.00362 100 2S 0.01372 -0.03328 -0.00391 -0.00333 0.00683 101 2PX 0.00594 0.06024 0.00460 0.00045 -0.00425 102 2PY 0.00955 0.05155 0.00268 0.01327 -0.00905 103 2PZ 0.08829 -0.01033 -0.00488 -0.00352 -0.00331 104 3S 0.00713 -0.03123 -0.00338 -0.00244 0.00650 105 3PX 0.01720 0.03953 0.00206 0.00142 -0.00442 106 3PY 0.00191 0.01564 0.00127 0.00390 -0.00289 107 3PZ 0.04173 0.00714 -0.00047 -0.00120 -0.00262 108 4XX -0.00219 0.00056 0.00031 -0.00012 0.00007 109 4YY -0.00297 0.00071 -0.00004 0.00096 -0.00069 110 4ZZ 0.00397 0.00238 -0.00013 -0.00047 0.00016 111 4XY 0.00027 -0.00168 -0.00014 -0.00005 0.00002 112 4XZ 0.00080 0.00240 0.00008 0.00026 -0.00040 113 4YZ -0.00012 0.00183 0.00041 -0.00008 0.00031 114 12 C 1S 0.00522 -0.00358 -0.00080 0.00084 -0.00123 115 2S -0.00969 0.00673 0.00130 -0.00166 0.00202 116 2PX 0.01513 0.00045 -0.00055 0.00297 -0.00498 117 2PY 0.00586 -0.00697 0.00089 -0.00122 0.00142 118 2PZ -0.03845 0.01133 0.00258 -0.00318 0.00489 119 3S -0.02284 -0.00729 0.00150 -0.00463 0.00426 120 3PX 0.00355 -0.00516 -0.00067 0.00173 -0.00267 121 3PY 0.00722 -0.00016 0.00085 0.00016 0.00012 122 3PZ -0.01771 0.00544 0.00143 -0.00177 0.00201 123 4XX -0.00178 -0.00163 -0.00001 -0.00013 0.00034 124 4YY -0.00013 0.00133 0.00005 0.00035 -0.00027 125 4ZZ 0.00314 -0.00042 -0.00011 -0.00012 -0.00016 126 4XY 0.00105 0.00007 -0.00001 -0.00008 -0.00007 127 4XZ 0.00100 0.00128 0.00005 0.00025 -0.00033 128 4YZ -0.00167 0.00106 0.00009 0.00006 0.00005 129 13 C 1S -0.00348 -0.00236 -0.00035 -0.00016 0.00006 130 2S 0.00517 0.00299 0.00054 0.00029 -0.00012 131 2PX -0.01161 -0.01822 -0.00036 0.00029 -0.00036 132 2PY -0.00780 0.01600 -0.00008 0.00184 -0.00130 133 2PZ 0.02513 0.00413 0.00076 -0.00088 0.00025 134 3S 0.02380 0.01168 0.00171 0.00200 -0.00190 135 3PX -0.01073 -0.01062 -0.00035 0.00052 -0.00053 136 3PY 0.00106 0.01567 0.00006 0.00223 -0.00173 137 3PZ 0.01505 0.00320 0.00046 -0.00037 -0.00022 138 4XX 0.00205 0.00065 0.00006 0.00001 -0.00005 139 4YY -0.00180 0.00018 0.00000 -0.00009 0.00003 140 4ZZ -0.00059 -0.00151 -0.00007 0.00003 0.00008 141 4XY 0.00012 0.00093 -0.00001 0.00007 -0.00016 142 4XZ -0.00124 -0.00014 -0.00001 -0.00004 0.00002 143 4YZ -0.00139 0.00026 0.00005 -0.00002 0.00011 144 14 C 1S -0.00504 0.00764 -0.00014 -0.00100 -0.00001 145 2S 0.01555 -0.00395 0.00036 0.00208 -0.00008 146 2PX -0.01319 -0.01655 -0.00090 -0.00238 0.00204 147 2PY 0.04883 -0.00307 0.00028 0.00428 -0.00059 148 2PZ -0.01167 -0.04323 -0.00088 0.00262 0.00258 149 3S 0.01195 0.00648 0.00071 0.00177 0.00061 150 3PX -0.02142 -0.02113 -0.00118 -0.00133 0.00192 151 3PY 0.00733 -0.00345 -0.00002 0.00120 0.00061 152 3PZ -0.00760 -0.02031 -0.00014 -0.00025 0.00243 153 4XX 0.00178 0.00101 0.00010 -0.00014 0.00001 154 4YY -0.00506 -0.00003 -0.00018 -0.00003 -0.00025 155 4ZZ 0.00134 -0.00003 0.00002 0.00017 0.00009 156 4XY 0.00022 0.00093 0.00005 -0.00007 -0.00001 157 4XZ -0.00078 0.00191 -0.00005 -0.00008 0.00001 158 4YZ -0.00249 -0.00173 -0.00020 0.00038 -0.00028 159 15 C 1S 0.01369 0.00238 0.00227 -0.00698 0.00297 160 2S -0.04242 -0.01064 -0.00499 0.01226 -0.00672 161 2PX -0.01073 0.02032 -0.00125 -0.00003 -0.00035 162 2PY -0.09233 0.02057 -0.00696 0.00598 -0.01109 163 2PZ -0.00476 0.04580 0.00063 -0.00109 -0.00035 164 3S -0.01714 0.00084 -0.00356 0.01149 -0.00851 165 3PX -0.00229 0.01982 -0.00082 -0.00057 0.00037 166 3PY -0.01732 0.01293 -0.00164 0.00273 -0.00483 167 3PZ -0.01294 0.01830 0.00020 0.00085 0.00040 168 4XX 0.00164 0.00020 0.00030 -0.00045 0.00033 169 4YY -0.00273 0.00085 -0.00045 -0.00015 -0.00011 170 4ZZ 0.00483 0.00041 0.00033 -0.00011 0.00033 171 4XY 0.00185 0.00254 0.00007 0.00013 -0.00030 172 4XZ -0.00050 0.00078 0.00002 -0.00013 -0.00007 173 4YZ -0.00016 0.00298 0.00010 0.00006 -0.00003 174 16 H 1S 0.03854 0.06087 -0.00203 -0.00398 0.00568 175 2S 0.02569 0.04161 0.00088 -0.00348 0.00601 176 17 H 1S -0.00018 0.01405 -0.00033 0.00812 -0.00390 177 2S -0.00649 0.02119 0.00003 0.00887 -0.00647 178 18 H 1S 0.02578 -0.00543 -0.00086 0.00025 -0.00164 179 2S 0.03337 -0.00232 -0.00103 0.00042 -0.00286 180 19 H 1S -0.01296 -0.00567 -0.00017 0.00009 0.00061 181 2S -0.01710 -0.00732 -0.00038 -0.00011 0.00099 182 20 H 1S -0.03275 0.00182 -0.00046 -0.00128 -0.00063 183 2S -0.04660 -0.00344 -0.00112 -0.00111 -0.00081 184 21 H 1S 0.01990 0.00236 0.00081 0.00187 0.00086 185 2S 0.03591 0.00210 0.00147 -0.00152 0.00200 186 22 H 1S -0.00226 -0.00080 0.00050 0.00001 -0.00025 187 2S -0.00082 -0.00004 0.00001 0.00008 0.00050 188 23 H 1S 0.00497 -0.00836 0.00027 -0.00023 0.00005 189 2S 0.00938 0.00074 0.00023 -0.00045 0.00039 96 97 98 99 100 96 4XY 0.00077 97 4XZ 0.00002 0.00070 98 4YZ -0.00032 -0.00039 0.00134 99 11 C 1S -0.00128 0.00125 0.00482 2.05493 100 2S 0.00250 -0.00243 -0.00896 -0.06108 0.32600 101 2PX 0.00553 -0.00985 0.00406 0.00137 0.00135 102 2PY 0.00056 0.00317 -0.00230 -0.00186 -0.00372 103 2PZ 0.00434 -0.00244 -0.00890 -0.00409 0.00570 104 3S 0.00289 0.00010 -0.01073 -0.19677 0.28869 105 3PX 0.00489 -0.00561 0.00132 0.00513 -0.00814 106 3PY -0.00013 -0.00002 -0.00060 0.00719 0.00824 107 3PZ 0.00337 -0.00237 -0.00332 0.00797 -0.01693 108 4XX -0.00022 0.00014 0.00052 -0.01165 -0.01268 109 4YY 0.00013 0.00045 -0.00038 -0.01845 0.00165 110 4ZZ -0.00017 -0.00046 0.00038 -0.01376 -0.00746 111 4XY 0.00001 0.00021 0.00005 0.00144 -0.00305 112 4XZ -0.00009 0.00017 -0.00030 0.00268 -0.00572 113 4YZ -0.00014 -0.00007 0.00039 0.00106 -0.00231 114 12 C 1S -0.00009 0.00097 -0.00088 0.01244 -0.02357 115 2S 0.00010 -0.00212 0.00188 -0.02396 0.03949 116 2PX -0.00083 0.00441 -0.00293 0.04790 -0.10349 117 2PY 0.00141 -0.00173 0.00217 -0.02374 0.04947 118 2PZ 0.00066 -0.00494 0.00269 -0.04592 0.09406 119 3S -0.00151 -0.00276 0.00347 0.00574 0.02216 120 3PX 0.00010 0.00257 -0.00249 0.00940 -0.03227 121 3PY 0.00119 -0.00113 0.00223 -0.00508 0.00884 122 3PZ -0.00006 -0.00265 0.00177 -0.00844 0.03021 123 4XX -0.00024 0.00028 0.00002 -0.00124 0.00156 124 4YY 0.00006 0.00006 -0.00004 0.00066 -0.00218 125 4ZZ 0.00026 -0.00023 -0.00020 -0.00153 0.00225 126 4XY -0.00006 0.00010 -0.00004 0.00307 -0.00569 127 4XZ -0.00008 0.00020 0.00006 0.00456 -0.00898 128 4YZ 0.00005 -0.00018 0.00002 -0.00296 0.00534 129 13 C 1S -0.00019 0.00011 0.00014 -0.00188 0.00452 130 2S 0.00042 -0.00015 -0.00067 0.00482 -0.00915 131 2PX 0.00099 -0.00019 0.00117 -0.00233 0.01074 132 2PY -0.00100 0.00036 0.00007 0.01008 -0.02605 133 2PZ 0.00074 -0.00048 -0.00095 0.00332 -0.00980 134 3S 0.00316 -0.00127 -0.00103 -0.00249 -0.01275 135 3PX 0.00054 -0.00016 0.00135 0.00056 0.00525 136 3PY -0.00070 0.00043 0.00022 0.00694 -0.02183 137 3PZ 0.00025 -0.00036 -0.00098 -0.00007 -0.00678 138 4XX 0.00043 -0.00007 0.00011 0.00016 -0.00042 139 4YY -0.00006 0.00001 -0.00010 -0.00049 0.00081 140 4ZZ -0.00040 0.00004 0.00011 -0.00026 0.00065 141 4XY -0.00004 0.00014 -0.00020 0.00116 -0.00266 142 4XZ 0.00000 0.00002 -0.00009 -0.00026 0.00086 143 4YZ 0.00006 -0.00013 0.00019 -0.00106 0.00215 144 14 C 1S 0.00018 0.00027 -0.00211 -0.00459 0.00658 145 2S -0.00030 -0.00062 0.00444 0.00658 -0.01954 146 2PX -0.00905 0.00203 -0.00466 -0.00371 0.00845 147 2PY 0.00091 -0.00086 0.00633 0.01012 -0.02795 148 2PZ -0.00719 -0.00005 0.00605 -0.00313 0.01041 149 3S -0.00034 -0.00094 0.00699 0.02760 -0.02935 150 3PX -0.00702 0.00233 -0.00236 -0.00343 0.00831 151 3PY 0.00063 -0.00008 0.00322 0.01020 -0.00626 152 3PZ -0.00475 -0.00025 0.00245 -0.00252 0.00977 153 4XX 0.00025 -0.00002 -0.00016 -0.00044 -0.00028 154 4YY 0.00002 0.00012 -0.00015 -0.00079 0.00055 155 4ZZ -0.00023 0.00001 -0.00012 -0.00044 -0.00001 156 4XY -0.00017 -0.00005 -0.00015 0.00018 -0.00039 157 4XZ -0.00047 0.00007 -0.00009 -0.00002 -0.00047 158 4YZ -0.00009 0.00005 0.00029 0.00037 -0.00055 159 15 C 1S -0.00005 -0.00043 0.00025 -0.00341 0.00799 160 2S 0.00010 0.00120 0.00026 0.00805 -0.01931 161 2PX -0.01330 0.00055 0.00001 0.00518 -0.01249 162 2PY 0.00061 0.00205 0.00122 0.01241 -0.03302 163 2PZ 0.00048 0.00043 -0.01310 -0.00307 0.00919 164 3S 0.00173 0.00212 -0.00433 -0.00220 -0.01800 165 3PX -0.00840 0.00081 -0.00212 -0.00079 -0.00485 166 3PY 0.00185 0.00050 -0.00016 0.00504 -0.01555 167 3PZ -0.00254 0.00078 -0.00298 0.00764 -0.00396 168 4XX -0.00007 0.00002 -0.00010 -0.00014 0.00036 169 4YY -0.00013 -0.00013 -0.00007 -0.00101 0.00208 170 4ZZ 0.00030 -0.00007 0.00003 -0.00001 -0.00008 171 4XY 0.00034 -0.00017 -0.00044 -0.00018 0.00030 172 4XZ 0.00017 0.00000 0.00026 0.00027 -0.00062 173 4YZ -0.00044 -0.00026 0.00091 0.00211 -0.00444 174 16 H 1S -0.00596 -0.00815 0.01198 0.01303 -0.02811 175 2S -0.00552 -0.00608 0.01152 0.01856 -0.03297 176 17 H 1S 0.00110 0.00251 -0.00540 -0.05974 0.11313 177 2S 0.00127 0.00294 -0.00315 -0.01318 0.02654 178 18 H 1S 0.00075 0.00061 -0.00052 0.00836 -0.01923 179 2S 0.00152 0.00015 -0.00176 0.01324 -0.02578 180 19 H 1S -0.00118 0.00007 0.00062 -0.00412 0.01082 181 2S -0.00307 0.00015 0.00105 -0.00541 0.01200 182 20 H 1S -0.00001 0.00045 -0.00187 -0.00248 0.00754 183 2S -0.00060 0.00118 -0.00241 -0.00361 0.01354 184 21 H 1S 0.00413 0.00003 -0.00776 -0.00745 0.01733 185 2S 0.00450 -0.00047 -0.00806 -0.01207 0.02472 186 22 H 1S -0.00095 0.00152 -0.00018 0.00784 -0.02317 187 2S -0.00209 0.00261 -0.00057 0.01198 -0.02844 188 23 H 1S 0.00205 -0.00071 0.00073 -0.00199 0.00839 189 2S 0.00214 -0.00074 0.00096 -0.00264 0.00790 101 102 103 104 105 101 2PX 0.34895 102 2PY -0.01259 0.41140 103 2PZ -0.03323 -0.01965 0.39185 104 3S -0.04142 0.00160 0.00462 0.29354 105 3PX 0.20156 0.02642 0.03981 -0.03134 0.13458 106 3PY 0.02145 0.13271 -0.01205 -0.00441 0.02086 107 3PZ 0.04362 0.00315 0.16555 -0.02128 0.05105 108 4XX -0.00008 -0.00550 -0.00825 -0.01007 -0.00215 109 4YY -0.00442 0.02175 -0.00237 0.00408 -0.00070 110 4ZZ 0.00382 -0.00996 0.00779 -0.00795 0.00300 111 4XY -0.00713 -0.00233 0.00297 -0.00191 -0.00336 112 4XZ 0.00067 0.00585 0.00628 -0.00466 0.00247 113 4YZ 0.00357 0.00096 -0.01163 -0.00247 0.00016 114 12 C 1S -0.03607 0.02997 0.04416 0.00108 -0.00169 115 2S 0.07421 -0.05500 -0.09016 0.01380 0.01259 116 2PX -0.10582 0.09322 0.15610 -0.06880 -0.04389 117 2PY 0.08843 -0.03184 -0.07089 0.03174 0.03957 118 2PZ 0.13907 -0.08289 -0.13093 0.09340 0.03898 119 3S 0.05716 -0.11777 -0.11983 -0.00960 -0.01345 120 3PX -0.05670 0.04711 0.07740 -0.01393 -0.02374 121 3PY 0.04982 0.00332 -0.03349 0.00117 0.02541 122 3PZ 0.07259 -0.04275 -0.05938 0.02438 0.02247 123 4XX -0.00791 -0.00281 -0.00508 0.00362 -0.00668 124 4YY -0.00160 0.00988 0.00164 -0.00155 0.00045 125 4ZZ 0.00636 -0.00273 0.00848 -0.00028 0.00567 126 4XY -0.00321 -0.00243 0.00650 -0.00384 -0.00178 127 4XZ -0.00380 0.00623 0.00419 -0.00794 -0.00103 128 4YZ 0.00633 0.00254 -0.00393 0.00518 0.00284 129 13 C 1S 0.00258 -0.00947 -0.00507 0.00063 0.00005 130 2S -0.01152 0.01815 0.01179 -0.00690 -0.00391 131 2PX 0.01516 -0.00543 -0.01074 -0.01494 0.01466 132 2PY -0.02638 0.03533 0.01528 -0.02630 -0.01499 133 2PZ -0.00895 0.00623 0.01170 -0.01130 -0.00689 134 3S 0.02496 0.07999 0.03944 -0.00945 0.02905 135 3PX 0.01174 -0.00078 -0.01384 -0.01044 0.00962 136 3PY -0.01114 0.05357 0.01823 -0.01954 -0.00004 137 3PZ -0.00008 0.00806 0.01470 -0.00764 -0.00018 138 4XX 0.00365 0.00128 0.00196 -0.00068 0.00402 139 4YY -0.00065 -0.00189 -0.00247 0.00049 -0.00173 140 4ZZ -0.00200 -0.00081 -0.00116 0.00034 -0.00215 141 4XY -0.00330 0.00360 0.00442 -0.00074 -0.00167 142 4XZ 0.00015 -0.00083 -0.00124 0.00067 0.00003 143 4YZ 0.00485 -0.00279 -0.00362 0.00239 0.00205 144 14 C 1S -0.00371 -0.01012 -0.00313 0.02760 -0.00343 145 2S 0.00845 0.02795 0.01042 -0.02935 0.00831 146 2PX -0.10394 -0.02503 -0.03147 0.01388 -0.09451 147 2PY 0.02503 0.03608 0.01684 -0.03316 0.02861 148 2PZ -0.03147 -0.01682 -0.05691 -0.02657 -0.04064 149 3S 0.01388 0.03316 -0.02656 -0.04354 0.01187 150 3PX -0.09452 -0.02860 -0.04064 0.01187 -0.08214 151 3PY 0.00784 -0.01048 -0.02201 -0.00696 0.00689 152 3PZ -0.02867 -0.01663 -0.04662 -0.00803 -0.03537 153 4XX 0.00117 0.00089 0.00130 0.00016 0.00162 154 4YY -0.00141 -0.00117 -0.00177 0.00058 -0.00113 155 4ZZ -0.00073 0.00036 0.00002 0.00039 -0.00100 156 4XY 0.00017 0.00082 0.00109 -0.00049 -0.00039 157 4XZ -0.00135 0.00009 -0.00096 -0.00045 -0.00136 158 4YZ 0.00099 0.00066 -0.00217 -0.00199 0.00057 159 15 C 1S -0.00013 -0.01144 0.00945 0.00706 -0.00155 160 2S -0.00050 0.02691 -0.03038 -0.01922 0.00072 161 2PX -0.02109 0.00683 -0.01521 -0.03006 -0.03301 162 2PY -0.00143 0.03368 -0.03576 -0.02492 0.01268 163 2PZ -0.00883 -0.00518 0.01473 0.04787 -0.01350 164 3S 0.00516 0.08499 0.04253 -0.00698 0.02003 165 3PX -0.02906 -0.00005 0.00316 -0.00547 -0.02960 166 3PY 0.01320 0.04884 0.01169 -0.01195 0.02142 167 3PZ -0.01655 0.00308 -0.04323 0.00647 -0.02113 168 4XX -0.00090 -0.00028 -0.00089 0.00071 -0.00118 169 4YY -0.00238 -0.00429 0.00262 0.00177 -0.00133 170 4ZZ 0.00204 0.00059 0.00258 0.00061 0.00192 171 4XY 0.00905 0.00091 0.00719 0.00034 0.00702 172 4XZ 0.00203 0.00086 -0.00004 -0.00094 0.00233 173 4YZ 0.00466 0.00633 -0.00605 -0.00699 0.00236 174 16 H 1S 0.00994 0.00382 -0.04387 -0.05137 -0.00537 175 2S 0.02491 -0.00036 -0.09600 -0.05570 -0.00627 176 17 H 1S -0.03569 0.26354 -0.01519 0.11156 -0.00248 177 2S -0.02584 0.24292 0.00124 0.03260 0.00815 178 18 H 1S -0.00782 0.00216 0.03479 -0.03973 0.00861 179 2S 0.00586 0.01064 0.08286 -0.04434 0.02828 180 19 H 1S 0.00465 -0.01090 -0.01587 0.01434 -0.00148 181 2S 0.00031 -0.02098 -0.02861 0.01288 -0.01138 182 20 H 1S -0.00732 -0.00905 -0.00837 0.00683 -0.00885 183 2S -0.02064 -0.02462 -0.02720 0.01579 -0.02052 184 21 H 1S 0.00072 -0.01537 0.03355 0.03976 0.00069 185 2S 0.00395 -0.03066 0.06994 0.04600 0.00681 186 22 H 1S -0.02370 0.00466 0.01467 -0.01004 -0.02696 187 2S -0.06285 0.00792 0.01757 -0.00441 -0.04470 188 23 H 1S 0.02437 -0.00437 -0.00381 -0.00715 0.02215 189 2S 0.03233 -0.01229 -0.00476 -0.00385 0.02883 106 107 108 109 110 106 3PY 0.05435 107 3PZ 0.00138 0.08688 108 4XX -0.00209 -0.00293 0.00127 109 4YY 0.00642 -0.00124 -0.00040 0.00185 110 4ZZ -0.00273 0.00383 0.00022 -0.00083 0.00134 111 4XY -0.00167 -0.00001 0.00012 -0.00016 0.00014 112 4XZ 0.00207 0.00273 -0.00009 0.00034 0.00007 113 4YZ 0.00083 -0.00367 0.00033 -0.00008 -0.00006 114 12 C 1S 0.00483 0.00524 -0.00217 0.00156 -0.00143 115 2S -0.01501 -0.01805 0.00325 -0.00345 0.00169 116 2PX 0.00852 0.05917 0.00835 0.00282 -0.00375 117 2PY -0.01131 -0.02974 0.00373 -0.00944 0.00316 118 2PZ -0.01734 -0.04187 0.00582 -0.00290 -0.00993 119 3S -0.02718 -0.03146 0.00542 -0.00724 0.00263 120 3PX 0.00357 0.02816 0.00302 0.00228 -0.00258 121 3PY -0.00174 -0.00868 0.00205 -0.00365 0.00115 122 3PZ -0.00470 -0.01695 0.00314 -0.00214 -0.00367 123 4XX -0.00209 -0.00403 0.00072 -0.00025 -0.00050 124 4YY 0.00350 0.00121 -0.00030 0.00084 -0.00035 125 4ZZ -0.00006 0.00431 -0.00057 -0.00041 0.00080 126 4XY -0.00226 0.00329 0.00043 -0.00024 0.00003 127 4XZ 0.00120 0.00202 0.00031 0.00014 0.00018 128 4YZ 0.00179 -0.00106 0.00007 0.00018 -0.00051 129 13 C 1S -0.00297 -0.00497 0.00045 -0.00142 0.00046 130 2S 0.00873 0.00965 -0.00095 0.00319 -0.00115 131 2PX 0.02170 -0.02705 0.00047 -0.00069 0.00134 132 2PY 0.01261 0.01784 -0.00243 0.00808 -0.00239 133 2PZ -0.01256 0.01018 -0.00109 0.00084 -0.00022 134 3S 0.02681 0.03637 -0.00264 0.00575 -0.00201 135 3PX 0.01197 -0.01674 -0.00002 0.00022 0.00031 136 3PY 0.01613 0.01327 -0.00159 0.00556 -0.00155 137 3PZ -0.00303 0.01048 -0.00061 0.00032 0.00032 138 4XX 0.00000 0.00058 -0.00003 -0.00010 0.00014 139 4YY -0.00037 -0.00042 0.00006 0.00009 -0.00005 140 4ZZ 0.00033 -0.00125 0.00010 -0.00023 0.00001 141 4XY -0.00002 0.00246 0.00019 0.00016 -0.00019 142 4XZ 0.00076 -0.00127 0.00006 -0.00006 0.00004 143 4YZ -0.00053 -0.00114 0.00022 -0.00012 -0.00025 144 14 C 1S -0.01020 -0.00253 -0.00044 -0.00079 -0.00044 145 2S 0.00626 0.00977 -0.00028 0.00055 -0.00001 146 2PX -0.00785 -0.02867 0.00117 -0.00141 -0.00073 147 2PY -0.01048 0.01664 -0.00089 0.00117 -0.00036 148 2PZ 0.02201 -0.04661 0.00130 -0.00177 0.00002 149 3S 0.00697 -0.00803 0.00016 0.00058 0.00039 150 3PX -0.00690 -0.03537 0.00162 -0.00113 -0.00100 151 3PY -0.01224 -0.00961 0.00008 -0.00026 -0.00042 152 3PZ 0.00961 -0.03040 0.00069 -0.00130 0.00006 153 4XX -0.00008 0.00069 0.00004 -0.00005 0.00011 154 4YY 0.00026 -0.00130 -0.00005 0.00037 -0.00018 155 4ZZ 0.00042 0.00006 0.00011 -0.00018 0.00007 156 4XY 0.00061 0.00089 -0.00008 0.00010 0.00000 157 4XZ 0.00046 -0.00148 0.00005 0.00001 0.00011 158 4YZ 0.00084 -0.00190 0.00002 0.00011 -0.00007 159 15 C 1S -0.00344 0.00614 0.00018 -0.00185 0.00103 160 2S 0.00954 -0.01691 -0.00032 0.00428 -0.00218 161 2PX 0.01632 -0.02828 0.00004 -0.00018 0.00229 162 2PY -0.00508 -0.02794 -0.00146 0.00989 -0.00349 163 2PZ -0.00177 0.01867 0.00054 -0.00142 0.00131 164 3S 0.02323 0.02045 -0.00182 0.00642 -0.00234 165 3PX 0.00540 -0.01332 0.00031 -0.00066 0.00170 166 3PY 0.00733 0.00761 -0.00178 0.00506 -0.00134 167 3PZ 0.00345 -0.02031 0.00101 -0.00003 -0.00003 168 4XX 0.00002 -0.00014 0.00010 -0.00018 0.00002 169 4YY -0.00120 -0.00025 -0.00014 -0.00003 0.00017 170 4ZZ -0.00061 0.00243 0.00001 -0.00025 0.00009 171 4XY 0.00063 0.00475 -0.00025 -0.00002 0.00023 172 4XZ 0.00008 -0.00025 -0.00002 0.00012 0.00001 173 4YZ 0.00322 -0.00245 0.00016 0.00015 0.00012 174 16 H 1S 0.00707 -0.01815 0.00274 -0.00556 0.00659 175 2S 0.00968 -0.03605 0.00426 -0.00527 0.00408 176 17 H 1S 0.08502 -0.01080 -0.00811 0.01662 -0.01016 177 2S 0.07297 0.00334 -0.00547 0.01575 -0.00812 178 18 H 1S -0.00045 0.01726 -0.00315 -0.00269 0.00875 179 2S 0.00503 0.03715 -0.00459 -0.00207 0.00871 180 19 H 1S 0.00439 -0.00934 0.00148 -0.00152 -0.00049 181 2S 0.00184 -0.01853 0.00239 -0.00248 -0.00056 182 20 H 1S 0.00887 -0.00707 0.00003 0.00087 -0.00035 183 2S 0.00300 -0.01990 0.00000 0.00156 -0.00131 184 21 H 1S -0.00619 0.02891 -0.00008 -0.00253 0.00052 185 2S -0.01435 0.04555 -0.00094 -0.00367 0.00154 186 22 H 1S -0.01210 0.00690 0.00852 -0.00239 -0.00292 187 2S -0.01397 -0.00203 0.00744 -0.00166 -0.00322 188 23 H 1S 0.00996 -0.01260 -0.00032 -0.00102 0.00150 189 2S 0.00251 -0.01210 -0.00043 -0.00202 0.00252 111 112 113 114 115 111 4XY 0.00038 112 4XZ -0.00002 0.00090 113 4YZ -0.00024 -0.00012 0.00071 114 12 C 1S 0.00238 0.00437 -0.00280 2.05093 115 2S -0.00462 -0.00809 0.00538 -0.05356 0.30675 116 2PX 0.00337 0.00315 -0.00632 -0.00216 0.00247 117 2PY 0.00344 -0.00565 -0.00256 -0.00197 0.00049 118 2PZ -0.00553 -0.00345 0.00441 0.00106 -0.00015 119 3S -0.00421 -0.01029 0.00641 -0.18822 0.28344 120 3PX 0.00160 0.00109 -0.00361 0.00084 0.00408 121 3PY 0.00156 -0.00311 -0.00078 0.00045 0.00297 122 3PZ -0.00259 -0.00117 0.00221 0.00065 -0.00479 123 4XX 0.00023 -0.00024 -0.00007 -0.01716 -0.00165 124 4YY -0.00017 0.00032 0.00012 -0.01550 -0.00526 125 4ZZ 0.00011 0.00005 -0.00032 -0.01720 -0.00155 126 4XY 0.00014 0.00001 -0.00019 -0.00095 0.00184 127 4XZ 0.00017 0.00018 -0.00010 -0.00087 0.00221 128 4YZ -0.00025 0.00001 0.00011 0.00108 -0.00202 129 13 C 1S 0.00079 -0.00011 -0.00080 0.01005 -0.01959 130 2S -0.00142 0.00021 0.00154 -0.01959 0.03093 131 2PX 0.00048 0.00108 -0.00075 0.00333 -0.00748 132 2PY -0.00547 0.00207 0.00493 -0.06220 0.12851 133 2PZ -0.00059 -0.00078 0.00059 -0.00195 0.00418 134 3S -0.00198 0.00035 0.00156 0.00743 0.01044 135 3PX 0.00015 0.00028 -0.00036 0.00123 -0.00547 136 3PY -0.00250 0.00257 0.00195 -0.01339 0.04076 137 3PZ -0.00042 -0.00025 0.00007 -0.00141 0.00469 138 4XX 0.00020 0.00013 -0.00011 0.00213 -0.00499 139 4YY -0.00026 -0.00024 0.00023 -0.00691 0.01194 140 4ZZ 0.00012 -0.00004 -0.00014 0.00191 -0.00471 141 4XY 0.00005 0.00006 -0.00017 -0.00027 0.00034 142 4XZ 0.00001 0.00006 -0.00001 0.00003 -0.00021 143 4YZ -0.00011 -0.00007 0.00011 0.00016 -0.00014 144 14 C 1S -0.00018 -0.00002 -0.00037 -0.00188 0.00482 145 2S 0.00039 -0.00047 0.00055 0.00452 -0.00915 146 2PX -0.00017 -0.00135 -0.00099 0.00258 -0.01152 147 2PY 0.00082 -0.00009 0.00066 0.00948 -0.01815 148 2PZ -0.00109 -0.00096 0.00217 -0.00507 0.01179 149 3S 0.00050 -0.00045 0.00199 0.00063 -0.00690 150 3PX 0.00039 -0.00136 -0.00057 0.00005 -0.00391 151 3PY 0.00061 -0.00046 0.00084 0.00297 -0.00873 152 3PZ -0.00089 -0.00148 0.00190 -0.00497 0.00965 153 4XX 0.00008 0.00005 -0.00002 0.00045 -0.00095 154 4YY -0.00010 0.00001 -0.00011 -0.00142 0.00319 155 4ZZ 0.00000 0.00011 0.00007 0.00046 -0.00115 156 4XY -0.00018 0.00011 0.00008 -0.00079 0.00142 157 4XZ -0.00011 0.00039 0.00003 -0.00011 0.00021 158 4YZ 0.00008 -0.00003 -0.00021 0.00080 -0.00154 159 15 C 1S -0.00017 -0.00043 0.00123 -0.00268 0.00477 160 2S 0.00048 0.00068 -0.00226 0.00518 -0.00902 161 2PX -0.00265 0.00707 -0.00037 0.00449 -0.01318 162 2PY 0.00132 0.00076 -0.00717 0.00369 -0.00692 163 2PZ -0.00153 0.00333 0.00061 -0.00385 0.00530 164 3S 0.00039 0.00340 -0.00410 0.01311 -0.02268 165 3PX -0.00147 0.00530 -0.00031 0.00380 -0.00986 166 3PY 0.00021 0.00078 -0.00249 0.00348 -0.00517 167 3PZ -0.00093 0.00191 0.00173 -0.00236 0.00299 168 4XX -0.00005 -0.00005 0.00019 -0.00035 0.00054 169 4YY 0.00007 -0.00008 -0.00038 -0.00016 0.00029 170 4ZZ 0.00001 0.00001 0.00028 0.00006 -0.00012 171 4XY -0.00017 0.00047 -0.00009 0.00019 -0.00042 172 4XZ 0.00005 0.00007 -0.00005 0.00011 -0.00015 173 4YZ -0.00015 0.00009 0.00029 -0.00014 0.00067 174 16 H 1S -0.00010 -0.00402 0.00406 -0.00724 0.01592 175 2S -0.00095 -0.00382 0.00629 -0.00969 0.02215 176 17 H 1S -0.00237 0.00185 -0.00063 0.01192 -0.02350 177 2S -0.00162 0.00344 -0.00082 0.01495 -0.02651 178 18 H 1S 0.00196 -0.00197 -0.00112 -0.05232 0.10153 179 2S 0.00230 0.00141 -0.00287 -0.00563 0.02059 180 19 H 1S 0.00075 -0.00039 -0.00062 0.00750 -0.01927 181 2S 0.00054 -0.00038 -0.00067 0.00827 -0.01896 182 20 H 1S -0.00061 0.00011 -0.00036 -0.00735 0.01455 183 2S -0.00078 -0.00002 -0.00046 -0.00920 0.01851 184 21 H 1S -0.00010 0.00007 0.00104 -0.00076 0.00121 185 2S -0.00001 0.00002 0.00036 -0.00031 0.00002 186 22 H 1S 0.00078 -0.00298 -0.00156 -0.05287 0.10266 187 2S 0.00206 -0.00037 -0.00201 -0.00681 0.02188 188 23 H 1S 0.00086 0.00039 -0.00054 0.00849 -0.02092 189 2S 0.00114 0.00120 -0.00035 0.01082 -0.02314 116 117 118 119 120 116 2PX 0.39946 117 2PY 0.00273 0.38112 118 2PZ 0.00826 -0.00398 0.40015 119 3S -0.02739 -0.00449 0.02951 0.31661 120 3PX 0.18488 0.00135 -0.00023 -0.01343 0.08894 121 3PY 0.00883 0.17478 -0.00087 -0.00454 0.00399 122 3PZ -0.00273 -0.00166 0.17903 0.01442 -0.00470 123 4XX 0.01424 0.00838 0.01103 0.00061 0.00655 124 4YY -0.00118 -0.01525 0.00028 -0.00513 -0.00060 125 4ZZ -0.00941 0.01006 -0.01441 -0.00144 -0.00411 126 4XY 0.01373 0.00048 0.00100 0.00145 0.00648 127 4XZ 0.01148 0.00052 -0.00893 0.00055 0.00512 128 4YZ 0.00121 -0.00053 0.01458 -0.00172 0.00046 129 13 C 1S 0.00332 0.06220 -0.00194 0.00743 0.00123 130 2S -0.00746 -0.12851 0.00417 0.01044 -0.00546 131 2PX 0.00232 0.00262 -0.00518 -0.00700 -0.00955 132 2PY -0.00258 -0.31517 -0.00036 0.12405 0.00031 133 2PZ -0.00518 0.00033 0.00448 0.00173 0.00000 134 3S -0.00698 -0.12405 0.00172 -0.02346 -0.00318 135 3PX -0.00955 -0.00029 0.00001 -0.00318 -0.00936 136 3PY 0.01500 -0.14739 -0.00994 0.02728 0.00758 137 3PZ 0.00256 0.00427 -0.00656 0.00286 0.00269 138 4XX -0.00014 0.00739 -0.00084 -0.00733 -0.00053 139 4YY 0.00050 -0.00832 -0.00006 0.01334 0.00060 140 4ZZ 0.00083 0.00779 -0.00005 -0.00345 0.00042 141 4XY 0.01106 -0.00012 0.00061 0.00013 0.00558 142 4XZ -0.00040 -0.00087 0.00033 0.00019 -0.00054 143 4YZ 0.00058 -0.00013 0.01102 -0.00030 0.00002 144 14 C 1S -0.00233 -0.01008 0.00332 -0.00249 0.00056 145 2S 0.01074 0.02606 -0.00979 -0.01275 0.00525 146 2PX 0.01516 0.02638 -0.00895 0.02496 0.01175 147 2PY 0.00543 0.03534 -0.00623 -0.07999 0.00077 148 2PZ -0.01074 -0.01527 0.01169 0.03943 -0.01384 149 3S -0.01494 0.02630 -0.01128 -0.00945 -0.01044 150 3PX 0.01466 0.01499 -0.00689 0.02905 0.00963 151 3PY -0.02169 0.01261 0.01256 -0.02681 -0.01197 152 3PZ -0.02705 -0.01784 0.01018 0.03637 -0.01673 153 4XX 0.00047 0.00244 -0.00109 -0.00265 -0.00002 154 4YY -0.00069 -0.00808 0.00084 0.00575 0.00023 155 4ZZ 0.00134 0.00239 -0.00022 -0.00201 0.00032 156 4XY -0.00048 -0.00547 0.00059 0.00197 -0.00015 157 4XZ 0.00108 -0.00207 -0.00078 0.00035 0.00028 158 4YZ 0.00075 0.00493 -0.00059 -0.00156 0.00036 159 15 C 1S -0.00575 -0.00391 0.00545 0.01276 -0.00401 160 2S 0.00900 0.00924 -0.01011 -0.02471 0.00652 161 2PX 0.01475 -0.01091 -0.01766 -0.01194 0.00232 162 2PY 0.01711 -0.01170 -0.01848 -0.02744 0.02113 163 2PZ -0.00024 -0.02809 -0.00080 0.02148 0.00157 164 3S 0.06530 0.01719 -0.04682 -0.06191 0.03593 165 3PX 0.02460 -0.01252 -0.01384 -0.01100 0.00871 166 3PY 0.01161 -0.00779 -0.02514 -0.02380 0.01073 167 3PZ -0.01822 -0.01601 0.00412 0.01167 -0.01061 168 4XX -0.00036 0.00008 0.00076 0.00171 -0.00035 169 4YY 0.00029 -0.00184 -0.00088 0.00200 0.00052 170 4ZZ -0.00036 0.00130 0.00025 -0.00190 -0.00053 171 4XY -0.00099 -0.00100 -0.00074 -0.00316 -0.00054 172 4XZ -0.00019 -0.00036 -0.00048 -0.00127 -0.00016 173 4YZ -0.00117 0.00007 0.00095 0.00103 -0.00135 174 16 H 1S -0.02366 0.01141 0.02600 0.04112 -0.02444 175 2S -0.04596 0.01667 0.05317 0.05161 -0.03546 176 17 H 1S 0.02591 -0.03151 -0.02255 -0.07034 0.02243 177 2S 0.05281 -0.05872 -0.04427 -0.07135 0.03188 178 18 H 1S -0.05699 0.09046 -0.24609 0.07881 -0.02311 179 2S -0.05729 0.07747 -0.22660 -0.00345 -0.02449 180 19 H 1S 0.00768 0.02963 0.02138 -0.02029 0.00205 181 2S 0.02006 0.05420 0.03578 -0.01040 0.00786 182 20 H 1S -0.00327 -0.03619 0.00279 0.04866 0.00062 183 2S -0.01492 -0.05935 0.01379 0.05329 -0.00390 184 21 H 1S -0.00236 -0.00106 0.00145 0.00394 -0.00101 185 2S 0.00181 -0.00123 -0.00429 0.00086 0.00221 186 22 H 1S 0.24468 0.08049 0.06953 0.08698 0.11387 187 2S 0.21796 0.06588 0.06412 0.00976 0.09997 188 23 H 1S -0.02233 0.02680 -0.00813 -0.03329 -0.01771 189 2S -0.03250 0.05106 -0.01879 -0.03855 -0.02212 121 122 123 124 125 121 3PY 0.08740 122 3PZ -0.00054 0.08364 123 4XX 0.00340 0.00441 0.00161 124 4YY -0.00599 0.00025 -0.00038 0.00123 125 4ZZ 0.00421 -0.00604 -0.00066 -0.00029 0.00156 126 4XY 0.00089 0.00022 0.00053 -0.00020 -0.00031 127 4XZ 0.00077 -0.00403 0.00012 -0.00003 -0.00001 128 4YZ -0.00034 0.00671 0.00036 0.00016 -0.00052 129 13 C 1S 0.01339 -0.00141 0.00213 -0.00691 0.00191 130 2S -0.04076 0.00468 -0.00499 0.01194 -0.00471 131 2PX -0.01498 0.00256 -0.00014 0.00050 0.00084 132 2PY -0.14739 -0.00428 -0.00739 0.00832 -0.00779 133 2PZ 0.00993 -0.00656 -0.00084 -0.00005 -0.00005 134 3S -0.02728 0.00286 -0.00733 0.01334 -0.00345 135 3PX -0.00757 0.00270 -0.00053 0.00060 0.00042 136 3PY -0.06679 -0.00691 -0.00364 0.00464 -0.00364 137 3PZ 0.00691 -0.00628 -0.00072 -0.00028 0.00062 138 4XX 0.00364 -0.00072 0.00003 -0.00009 0.00031 139 4YY -0.00464 -0.00028 -0.00009 -0.00007 -0.00023 140 4ZZ 0.00364 0.00062 0.00031 -0.00023 0.00014 141 4XY 0.00026 -0.00008 0.00041 -0.00008 -0.00029 142 4XZ -0.00122 0.00054 0.00002 0.00008 -0.00004 143 4YZ 0.00018 0.00516 0.00030 0.00007 -0.00041 144 14 C 1S -0.00694 -0.00008 0.00016 -0.00049 -0.00026 145 2S 0.02183 -0.00677 -0.00042 0.00081 0.00065 146 2PX 0.01114 -0.00008 0.00365 -0.00065 -0.00200 147 2PY 0.05358 -0.00806 -0.00128 0.00189 0.00081 148 2PZ -0.01822 0.01469 0.00196 -0.00247 -0.00116 149 3S 0.01954 -0.00763 -0.00068 0.00049 0.00034 150 3PX 0.00004 -0.00019 0.00402 -0.00173 -0.00215 151 3PY 0.01613 0.00304 0.00000 0.00037 -0.00033 152 3PZ -0.01327 0.01047 0.00058 -0.00042 -0.00125 153 4XX 0.00159 -0.00061 -0.00003 0.00006 0.00010 154 4YY -0.00556 0.00032 -0.00010 0.00009 -0.00023 155 4ZZ 0.00155 0.00032 0.00014 -0.00005 0.00001 156 4XY -0.00250 0.00042 -0.00020 0.00026 -0.00012 157 4XZ -0.00257 -0.00025 0.00013 -0.00024 -0.00004 158 4YZ 0.00195 -0.00007 0.00011 -0.00023 0.00014 159 15 C 1S -0.00322 0.00300 -0.00003 -0.00013 -0.00007 160 2S 0.00783 -0.00543 0.00016 0.00028 -0.00015 161 2PX -0.02237 0.00004 0.00104 -0.00171 0.00005 162 2PY -0.00753 -0.01412 -0.00096 0.00189 -0.00125 163 2PZ -0.02812 0.00023 0.00004 0.00034 -0.00056 164 3S 0.01390 -0.02412 -0.00046 0.00085 0.00166 165 3PX -0.01969 -0.00261 0.00163 -0.00143 -0.00045 166 3PY 0.00107 -0.01506 -0.00205 0.00180 0.00059 167 3PZ -0.01567 0.00319 0.00065 0.00018 -0.00151 168 4XX -0.00007 0.00046 0.00006 0.00000 -0.00007 169 4YY -0.00223 -0.00037 0.00001 -0.00009 0.00003 170 4ZZ 0.00173 -0.00022 -0.00005 0.00003 0.00008 171 4XY -0.00070 -0.00025 -0.00043 0.00006 0.00040 172 4XZ -0.00043 -0.00036 -0.00007 0.00001 0.00004 173 4YZ 0.00022 0.00098 -0.00011 0.00010 -0.00011 174 16 H 1S 0.01410 0.01728 0.00073 0.00006 -0.00217 175 2S 0.01672 0.03123 0.00122 -0.00009 -0.00316 176 17 H 1S -0.00897 -0.01991 -0.00107 0.00654 -0.00226 177 2S -0.01736 -0.02753 -0.00228 0.00714 -0.00258 178 18 H 1S 0.04112 -0.11026 -0.00782 -0.00511 0.01314 179 2S 0.03435 -0.09887 -0.00873 -0.00337 0.01364 180 19 H 1S 0.01691 0.01669 0.00168 0.00191 -0.00097 181 2S 0.02234 0.02286 0.00396 -0.00144 -0.00102 182 20 H 1S -0.03681 0.00266 -0.00016 -0.00012 -0.00078 183 2S -0.04916 0.00733 0.00001 0.00025 -0.00199 184 21 H 1S -0.00013 -0.00072 -0.00012 -0.00007 0.00081 185 2S 0.00083 -0.00433 -0.00076 -0.00031 0.00187 186 22 H 1S 0.04156 0.02494 0.01312 -0.00578 -0.00705 187 2S 0.03170 0.02282 0.01314 -0.00444 -0.00742 188 23 H 1S 0.01206 -0.00087 -0.00159 0.00270 0.00160 189 2S 0.01847 -0.00801 -0.00110 -0.00044 0.00324 126 127 128 129 130 126 4XY 0.00089 127 4XZ 0.00040 0.00065 128 4YZ -0.00001 -0.00032 0.00095 129 13 C 1S 0.00027 0.00003 -0.00016 2.05093 130 2S -0.00034 -0.00021 0.00014 -0.05356 0.30675 131 2PX -0.01106 -0.00040 -0.00058 -0.00216 0.00247 132 2PY -0.00012 0.00087 -0.00013 0.00197 -0.00049 133 2PZ -0.00061 0.00033 -0.01102 0.00106 -0.00015 134 3S -0.00013 0.00019 0.00030 -0.18821 0.28344 135 3PX -0.00558 -0.00055 -0.00002 0.00084 0.00408 136 3PY 0.00026 0.00122 0.00018 -0.00045 -0.00297 137 3PZ 0.00008 0.00054 -0.00516 0.00065 -0.00479 138 4XX -0.00041 0.00002 -0.00030 -0.01716 -0.00165 139 4YY 0.00008 0.00008 -0.00007 -0.01550 -0.00526 140 4ZZ 0.00029 -0.00004 0.00041 -0.01720 -0.00155 141 4XY 0.00073 0.00033 0.00011 0.00095 -0.00184 142 4XZ -0.00033 -0.00005 0.00025 -0.00087 0.00221 143 4YZ 0.00011 -0.00025 0.00079 -0.00108 0.00202 144 14 C 1S -0.00116 -0.00026 0.00106 0.01244 -0.02396 145 2S 0.00266 0.00086 -0.00215 -0.02357 0.03949 146 2PX 0.00330 0.00015 -0.00485 -0.03607 0.07421 147 2PY 0.00360 0.00083 -0.00279 -0.02998 0.05502 148 2PZ -0.00442 -0.00124 0.00362 0.04415 -0.09015 149 3S 0.00074 0.00067 -0.00238 0.00108 0.01380 150 3PX 0.00168 0.00003 -0.00205 -0.00169 0.01259 151 3PY -0.00002 -0.00076 -0.00053 -0.00483 0.01502 152 3PZ -0.00246 -0.00127 0.00114 0.00524 -0.01805 153 4XX -0.00019 0.00006 -0.00022 -0.00217 0.00325 154 4YY -0.00016 -0.00006 0.00012 0.00156 -0.00345 155 4ZZ 0.00019 0.00004 0.00025 -0.00143 0.00169 156 4XY 0.00005 -0.00001 -0.00011 -0.00239 0.00462 157 4XZ -0.00006 0.00006 0.00007 0.00437 -0.00808 158 4YZ -0.00017 0.00001 0.00011 0.00280 -0.00538 159 15 C 1S 0.00012 -0.00034 -0.00016 -0.00306 0.00645 160 2S -0.00054 0.00061 0.00069 0.00583 -0.01548 161 2PX 0.00063 0.00073 0.00022 0.00800 -0.01868 162 2PY -0.00033 0.00126 -0.00093 -0.00176 0.00610 163 2PZ 0.00079 0.00052 -0.00099 -0.01006 0.02653 164 3S 0.00174 0.00292 0.00025 0.00444 -0.01031 165 3PX 0.00133 0.00088 0.00013 0.00641 -0.01376 166 3PY 0.00012 0.00124 -0.00139 -0.00522 0.00969 167 3PZ -0.00093 -0.00014 -0.00026 -0.00358 0.00673 168 4XX 0.00001 -0.00001 -0.00005 -0.00080 0.00130 169 4YY -0.00007 -0.00004 0.00002 0.00084 -0.00166 170 4ZZ 0.00016 0.00002 -0.00011 -0.00123 0.00202 171 4XY -0.00004 0.00000 0.00006 0.00009 -0.00010 172 4XZ -0.00014 0.00002 0.00013 0.00097 -0.00212 173 4YZ -0.00020 0.00009 0.00019 0.00088 -0.00188 174 16 H 1S -0.00056 0.00042 0.00069 -0.00076 0.00122 175 2S -0.00134 -0.00063 0.00166 -0.00031 0.00002 176 17 H 1S -0.00353 0.00070 0.00328 -0.00735 0.01455 177 2S -0.00143 0.00284 0.00149 -0.00920 0.01851 178 18 H 1S -0.00170 0.00470 -0.01047 0.00750 -0.01927 179 2S -0.00232 0.00364 -0.00946 0.00827 -0.01896 180 19 H 1S 0.00207 -0.00076 0.00760 -0.05232 0.10153 181 2S 0.00259 -0.00070 0.00746 -0.00563 0.02059 182 20 H 1S -0.00162 -0.00031 0.00123 0.01192 -0.02350 183 2S -0.00254 -0.00110 0.00178 0.01495 -0.02651 184 21 H 1S 0.00086 -0.00019 -0.00072 -0.00724 0.01592 185 2S 0.00188 -0.00024 -0.00174 -0.00969 0.02215 186 22 H 1S 0.00990 0.00626 0.00220 0.00849 -0.02092 187 2S 0.00889 0.00503 0.00252 0.01082 -0.02314 188 23 H 1S -0.00756 -0.00077 -0.00233 -0.05287 0.10266 189 2S -0.00705 -0.00066 -0.00265 -0.00681 0.02188 131 132 133 134 135 131 2PX 0.39946 132 2PY -0.00273 0.38112 133 2PZ 0.00826 0.00398 0.40015 134 3S -0.02740 0.00449 0.02951 0.31661 135 3PX 0.18488 -0.00135 -0.00023 -0.01343 0.08895 136 3PY -0.00883 0.17478 0.00087 0.00454 -0.00399 137 3PZ -0.00274 0.00166 0.17903 0.01442 -0.00470 138 4XX 0.01424 -0.00838 0.01103 0.00061 0.00655 139 4YY -0.00118 0.01525 0.00028 -0.00513 -0.00060 140 4ZZ -0.00941 -0.01006 -0.01441 -0.00144 -0.00411 141 4XY -0.01373 0.00047 -0.00100 -0.00145 -0.00648 142 4XZ 0.01148 -0.00052 -0.00893 0.00055 0.00512 143 4YZ -0.00121 -0.00053 -0.01458 0.00172 -0.00046 144 14 C 1S 0.04791 0.02375 -0.04591 0.00574 0.00940 145 2S -0.10349 -0.04949 0.09404 0.02216 -0.03227 146 2PX -0.10583 -0.08846 0.13904 0.05716 -0.05671 147 2PY -0.09326 -0.03188 0.08291 0.11780 -0.04713 148 2PZ 0.15608 0.07091 -0.13089 -0.11980 0.07739 149 3S -0.06881 -0.03176 0.09339 -0.00960 -0.01393 150 3PX -0.04390 -0.03958 0.03897 -0.01345 -0.02375 151 3PY -0.00853 -0.01132 0.01734 0.02719 -0.00357 152 3PZ 0.05917 0.02975 -0.04186 -0.03145 0.02816 153 4XX 0.00835 -0.00374 0.00582 0.00542 0.00302 154 4YY 0.00282 0.00945 -0.00289 -0.00724 0.00228 155 4ZZ -0.00375 -0.00316 -0.00994 0.00263 -0.00258 156 4XY -0.00337 0.00344 0.00554 0.00422 -0.00160 157 4XZ 0.00315 0.00565 -0.00345 -0.01029 0.00109 158 4YZ 0.00632 -0.00256 -0.00441 -0.00641 0.00361 159 15 C 1S -0.00664 -0.00145 0.01299 0.00807 -0.00507 160 2S 0.01796 0.00334 -0.03364 -0.01543 0.01254 161 2PX -0.01459 0.00706 -0.02312 -0.07165 -0.00726 162 2PY -0.00154 0.00385 0.01219 -0.00865 0.01113 163 2PZ -0.04035 -0.00504 0.03950 0.03254 -0.03982 164 3S -0.01306 -0.01033 -0.02963 0.01325 -0.00856 165 3PX -0.02221 0.00644 -0.01984 -0.04951 -0.01467 166 3PY -0.01513 0.00586 0.03845 0.02284 -0.00355 167 3PZ 0.00044 0.00697 0.01134 -0.00729 -0.00516 168 4XX -0.00055 -0.00089 0.00258 0.00150 -0.00067 169 4YY 0.00297 0.00122 -0.00318 -0.00463 0.00173 170 4ZZ -0.00498 -0.00142 0.00489 0.00425 -0.00267 171 4XY 0.00083 0.00141 -0.00066 0.00151 -0.00011 172 4XZ 0.00441 0.00173 -0.00494 -0.00276 0.00257 173 4YZ 0.00294 0.00218 -0.00269 -0.00347 0.00249 174 16 H 1S -0.00236 0.00106 0.00145 0.00393 -0.00100 175 2S 0.00181 0.00123 -0.00429 0.00086 0.00221 176 17 H 1S -0.00327 0.03619 0.00280 0.04866 0.00061 177 2S -0.01493 0.05934 0.01379 0.05329 -0.00391 178 18 H 1S 0.00768 -0.02963 0.02138 -0.02029 0.00205 179 2S 0.02008 -0.05420 0.03577 -0.01039 0.00787 180 19 H 1S -0.05695 -0.09044 -0.24610 0.07881 -0.02309 181 2S -0.05725 -0.07745 -0.22661 -0.00345 -0.02447 182 20 H 1S 0.02591 0.03151 -0.02254 -0.07034 0.02243 183 2S 0.05281 0.05873 -0.04426 -0.07135 0.03189 184 21 H 1S -0.02367 -0.01142 0.02600 0.04112 -0.02444 185 2S -0.04597 -0.01668 0.05316 0.05160 -0.03546 186 22 H 1S -0.02233 -0.02680 -0.00813 -0.03330 -0.01771 187 2S -0.03249 -0.05106 -0.01879 -0.03856 -0.02211 188 23 H 1S 0.24468 -0.08047 0.06955 0.08698 0.11388 189 2S 0.21796 -0.06586 0.06414 0.00976 0.09997 136 137 138 139 140 136 3PY 0.08740 137 3PZ 0.00054 0.08364 138 4XX -0.00340 0.00441 0.00161 139 4YY 0.00600 0.00026 -0.00038 0.00123 140 4ZZ -0.00421 -0.00604 -0.00066 -0.00029 0.00156 141 4XY 0.00089 -0.00022 -0.00053 0.00020 0.00031 142 4XZ -0.00077 -0.00403 0.00012 -0.00003 -0.00001 143 4YZ -0.00034 -0.00671 -0.00036 -0.00016 0.00052 144 14 C 1S 0.00508 -0.00844 -0.00124 0.00066 -0.00153 145 2S -0.00884 0.03020 0.00156 -0.00218 0.00225 146 2PX -0.04983 0.07258 -0.00791 -0.00160 0.00636 147 2PY 0.00330 0.04276 0.00282 -0.00988 0.00273 148 2PZ 0.03350 -0.05935 -0.00508 0.00164 0.00848 149 3S -0.00118 0.02437 0.00363 -0.00155 -0.00028 150 3PX -0.02541 0.02246 -0.00668 0.00045 0.00567 151 3PY -0.00175 0.00470 0.00209 -0.00350 0.00006 152 3PZ 0.00868 -0.01694 -0.00403 0.00121 0.00431 153 4XX -0.00205 0.00314 0.00072 -0.00030 -0.00057 154 4YY 0.00365 -0.00214 -0.00025 0.00084 -0.00041 155 4ZZ -0.00115 -0.00367 -0.00050 -0.00035 0.00080 156 4XY 0.00156 0.00259 -0.00023 0.00017 -0.00011 157 4XZ 0.00312 -0.00117 -0.00024 0.00032 0.00005 158 4YZ -0.00078 -0.00221 0.00007 -0.00012 0.00032 159 15 C 1S -0.00350 0.00772 0.00040 0.00066 -0.00193 160 2S 0.00783 -0.01716 -0.00111 -0.00161 0.00383 161 2PX 0.01742 -0.00500 -0.00869 -0.00031 0.00968 162 2PY 0.00438 0.00144 0.00081 0.00172 -0.00408 163 2PZ -0.01673 0.02930 -0.00240 0.00373 -0.00456 164 3S 0.00848 -0.00547 -0.00076 -0.00258 0.00336 165 3PX 0.01148 -0.00461 -0.00586 0.00026 0.00567 166 3PY 0.00722 0.01771 0.00178 0.00013 -0.00314 167 3PZ 0.00017 0.00544 -0.00163 0.00133 -0.00042 168 4XX -0.00085 0.00143 -0.00001 0.00005 -0.00011 169 4YY -0.00016 -0.00177 -0.00013 0.00035 -0.00012 170 4ZZ -0.00012 0.00200 0.00034 -0.00027 -0.00016 171 4XY 0.00119 0.00006 0.00024 -0.00006 -0.00026 172 4XZ 0.00113 -0.00265 0.00028 0.00006 -0.00023 173 4YZ 0.00223 -0.00177 -0.00002 0.00004 0.00020 174 16 H 1S 0.00013 -0.00072 -0.00012 -0.00007 0.00081 175 2S -0.00083 -0.00433 -0.00076 -0.00031 0.00188 176 17 H 1S 0.03681 0.00266 -0.00016 -0.00012 -0.00079 177 2S 0.04916 0.00733 0.00001 0.00026 -0.00199 178 18 H 1S -0.01691 0.01669 0.00168 0.00191 -0.00098 179 2S -0.02235 0.02286 0.00396 -0.00144 -0.00103 180 19 H 1S -0.04111 -0.11026 -0.00783 -0.00511 0.01314 181 2S -0.03434 -0.09887 -0.00873 -0.00338 0.01364 182 20 H 1S 0.00898 -0.01991 -0.00107 0.00654 -0.00226 183 2S 0.01736 -0.02752 -0.00228 0.00714 -0.00258 184 21 H 1S -0.01411 0.01727 0.00073 0.00006 -0.00217 185 2S -0.01672 0.03122 0.00122 -0.00009 -0.00316 186 22 H 1S -0.01206 -0.00088 -0.00159 0.00270 0.00160 187 2S -0.01847 -0.00802 -0.00110 -0.00044 0.00324 188 23 H 1S -0.04155 0.02495 0.01312 -0.00578 -0.00705 189 2S -0.03170 0.02283 0.01314 -0.00444 -0.00741 141 142 143 144 145 141 4XY 0.00089 142 4XZ -0.00040 0.00065 143 4YZ -0.00001 0.00032 0.00095 144 14 C 1S -0.00307 0.00455 0.00296 2.05494 145 2S 0.00570 -0.00898 -0.00534 -0.06108 0.32600 146 2PX 0.00321 -0.00380 -0.00633 0.00137 0.00135 147 2PY -0.00243 -0.00623 0.00254 0.00186 0.00372 148 2PZ -0.00650 0.00419 0.00393 -0.00409 0.00570 149 3S 0.00384 -0.00794 -0.00518 -0.19678 0.28869 150 3PX 0.00178 -0.00103 -0.00285 0.00513 -0.00814 151 3PY -0.00226 -0.00120 0.00178 -0.00719 -0.00824 152 3PZ -0.00329 0.00202 0.00106 0.00797 -0.01694 153 4XX -0.00043 0.00031 -0.00007 -0.01165 -0.01268 154 4YY 0.00024 0.00014 -0.00018 -0.01845 0.00165 155 4ZZ -0.00003 0.00018 0.00051 -0.01376 -0.00746 156 4XY 0.00014 -0.00017 -0.00025 -0.00144 0.00305 157 4XZ -0.00001 0.00018 -0.00001 0.00268 -0.00572 158 4YZ -0.00019 0.00010 0.00011 -0.00106 0.00231 159 15 C 1S 0.00036 0.00028 -0.00043 0.01820 -0.03387 160 2S -0.00095 -0.00057 0.00131 -0.03656 0.06338 161 2PX 0.00075 -0.00042 -0.00132 -0.01017 0.01982 162 2PY 0.00158 0.00099 -0.00070 0.03659 -0.07634 163 2PZ 0.00273 0.00335 -0.00275 0.07344 -0.14774 164 3S 0.00144 -0.00060 0.00064 0.00947 0.01598 165 3PX 0.00150 0.00016 -0.00078 0.00716 -0.00750 166 3PY 0.00105 -0.00100 -0.00167 0.00664 -0.01372 167 3PZ -0.00007 0.00128 -0.00106 0.00572 -0.03328 168 4XX 0.00001 0.00005 -0.00009 0.00197 -0.00391 169 4YY 0.00008 0.00025 -0.00006 0.00121 -0.00333 170 4ZZ 0.00007 -0.00033 -0.00005 -0.00362 0.00683 171 4XY -0.00006 0.00008 0.00005 0.00128 -0.00250 172 4XZ -0.00010 0.00020 0.00018 0.00125 -0.00243 173 4YZ -0.00004 -0.00006 0.00002 -0.00482 0.00896 174 16 H 1S -0.00086 -0.00019 0.00072 -0.00745 0.01733 175 2S -0.00188 -0.00024 0.00174 -0.01207 0.02472 176 17 H 1S 0.00162 -0.00031 -0.00123 -0.00248 0.00754 177 2S 0.00254 -0.00109 -0.00178 -0.00361 0.01354 178 18 H 1S -0.00208 -0.00076 -0.00760 -0.00412 0.01082 179 2S -0.00259 -0.00070 -0.00746 -0.00540 0.01200 180 19 H 1S 0.00169 0.00470 0.01047 0.00836 -0.01923 181 2S 0.00232 0.00364 0.00946 0.01324 -0.02578 182 20 H 1S 0.00353 0.00070 -0.00328 -0.05974 0.11313 183 2S 0.00143 0.00284 -0.00149 -0.01318 0.02654 184 21 H 1S 0.00056 0.00043 -0.00069 0.01303 -0.02811 185 2S 0.00134 -0.00063 -0.00166 0.01856 -0.03297 186 22 H 1S 0.00756 -0.00077 0.00233 -0.00199 0.00839 187 2S 0.00705 -0.00066 0.00265 -0.00265 0.00790 188 23 H 1S -0.00990 0.00626 -0.00220 0.00784 -0.02317 189 2S -0.00889 0.00503 -0.00252 0.01198 -0.02844 146 147 148 149 150 146 2PX 0.34895 147 2PY 0.01259 0.41139 148 2PZ -0.03323 0.01965 0.39186 149 3S -0.04143 -0.00160 0.00461 0.29355 150 3PX 0.20156 -0.02642 0.03981 -0.03135 0.13458 151 3PY -0.02145 0.13270 0.01204 0.00442 -0.02086 152 3PZ 0.04362 -0.00316 0.16556 -0.02128 0.05105 153 4XX -0.00008 0.00550 -0.00825 -0.01007 -0.00215 154 4YY -0.00442 -0.02175 -0.00238 0.00408 -0.00070 155 4ZZ 0.00382 0.00996 0.00780 -0.00795 0.00300 156 4XY 0.00713 -0.00232 -0.00298 0.00191 0.00336 157 4XZ 0.00067 -0.00586 0.00628 -0.00466 0.00247 158 4YZ -0.00357 0.00095 0.01163 0.00248 -0.00016 159 15 C 1S 0.01248 -0.03913 -0.06920 -0.01204 -0.00123 160 2S -0.02889 0.07808 0.14402 0.03990 0.00105 161 2PX 0.18247 -0.00827 0.15745 0.00232 0.13403 162 2PY 0.00836 -0.05063 -0.15688 -0.05278 -0.00031 163 2PZ 0.12424 -0.15361 -0.18246 -0.16229 0.05752 164 3S -0.01396 0.09103 0.06289 -0.02058 -0.00534 165 3PX 0.12104 -0.02349 0.07217 -0.01949 0.08766 166 3PY -0.00595 0.00957 -0.08828 -0.00712 -0.01720 167 3PZ 0.06024 -0.05155 -0.01035 -0.03123 0.03953 168 4XX 0.00460 -0.00268 -0.00489 -0.00338 0.00206 169 4YY 0.00045 -0.01327 -0.00353 -0.00245 0.00142 170 4ZZ -0.00425 0.00905 -0.00331 0.00651 -0.00442 171 4XY -0.00552 0.00056 -0.00434 -0.00289 -0.00489 172 4XZ -0.00985 -0.00317 -0.00244 0.00010 -0.00561 173 4YZ -0.00406 -0.00230 0.00890 0.01073 -0.00132 174 16 H 1S 0.00072 0.01536 0.03355 0.03976 0.00069 175 2S 0.00395 0.03065 0.06995 0.04600 0.00681 176 17 H 1S -0.00732 0.00905 -0.00836 0.00684 -0.00885 177 2S -0.02064 0.02463 -0.02719 0.01579 -0.02051 178 18 H 1S 0.00464 0.01090 -0.01587 0.01433 -0.00148 179 2S 0.00030 0.02098 -0.02861 0.01287 -0.01140 180 19 H 1S -0.00782 -0.00216 0.03479 -0.03973 0.00861 181 2S 0.00585 -0.01065 0.08285 -0.04434 0.02827 182 20 H 1S -0.03567 -0.26354 -0.01524 0.11156 -0.00248 183 2S -0.02582 -0.24292 0.00120 0.03260 0.00816 184 21 H 1S 0.00994 -0.00381 -0.04387 -0.05137 -0.00536 185 2S 0.02491 0.00037 -0.09600 -0.05570 -0.00627 186 22 H 1S 0.02438 0.00437 -0.00381 -0.00714 0.02215 187 2S 0.03233 0.01230 -0.00476 -0.00384 0.02883 188 23 H 1S -0.02370 -0.00466 0.01466 -0.01004 -0.02696 189 2S -0.06285 -0.00793 0.01756 -0.00441 -0.04470 151 152 153 154 155 151 3PY 0.05435 152 3PZ -0.00139 0.08689 153 4XX 0.00209 -0.00293 0.00127 154 4YY -0.00642 -0.00124 -0.00040 0.00185 155 4ZZ 0.00273 0.00383 0.00022 -0.00083 0.00134 156 4XY -0.00167 0.00000 -0.00012 0.00016 -0.00014 157 4XZ -0.00207 0.00273 -0.00009 0.00034 0.00007 158 4YZ 0.00083 0.00367 -0.00033 0.00008 0.00006 159 15 C 1S -0.01122 -0.01451 0.00275 0.00162 -0.00434 160 2S 0.02913 0.03846 -0.00570 -0.00337 0.00759 161 2PX -0.01794 0.08770 -0.00647 -0.00018 0.00512 162 2PY -0.00609 -0.07190 0.00276 0.01232 -0.00900 163 2PZ -0.06277 -0.04942 0.00709 0.00174 0.00395 164 3S 0.01666 0.00407 -0.00163 -0.00546 0.00806 165 3PX -0.01808 0.04372 -0.00328 -0.00019 0.00416 166 3PY 0.00191 -0.04173 0.00219 0.00297 -0.00397 167 3PZ -0.01564 0.00713 0.00056 0.00071 0.00238 168 4XX -0.00127 -0.00047 0.00031 -0.00004 -0.00013 169 4YY -0.00390 -0.00120 -0.00012 0.00096 -0.00047 170 4ZZ 0.00289 -0.00262 0.00007 -0.00069 0.00016 171 4XY -0.00013 -0.00337 0.00022 -0.00013 0.00017 172 4XZ 0.00002 -0.00237 0.00014 0.00045 -0.00046 173 4YZ -0.00060 0.00332 -0.00052 0.00038 -0.00038 174 16 H 1S 0.00619 0.02891 -0.00008 -0.00253 0.00052 175 2S 0.01435 0.04556 -0.00094 -0.00367 0.00154 176 17 H 1S -0.00887 -0.00707 0.00003 0.00087 -0.00035 177 2S -0.00300 -0.01989 0.00000 0.00156 -0.00131 178 18 H 1S -0.00439 -0.00934 0.00148 -0.00152 -0.00049 179 2S -0.00184 -0.01853 0.00239 -0.00248 -0.00056 180 19 H 1S 0.00045 0.01726 -0.00315 -0.00269 0.00875 181 2S -0.00503 0.03715 -0.00458 -0.00207 0.00871 182 20 H 1S -0.08502 -0.01081 -0.00811 0.01662 -0.01016 183 2S -0.07297 0.00333 -0.00547 0.01575 -0.00812 184 21 H 1S -0.00706 -0.01816 0.00274 -0.00556 0.00658 185 2S -0.00967 -0.03605 0.00426 -0.00527 0.00407 186 22 H 1S -0.00996 -0.01260 -0.00032 -0.00102 0.00150 187 2S -0.00250 -0.01211 -0.00043 -0.00202 0.00252 188 23 H 1S 0.01210 0.00690 0.00852 -0.00239 -0.00292 189 2S 0.01397 -0.00203 0.00744 -0.00166 -0.00322 156 157 158 159 160 156 4XY 0.00038 157 4XZ 0.00002 0.00090 158 4YZ -0.00024 0.00012 0.00071 159 15 C 1S 0.00115 0.00133 -0.00435 2.05282 160 2S -0.00233 -0.00236 0.00871 -0.06255 0.32755 161 2PX 0.00459 0.01199 0.00393 -0.00140 0.00252 162 2PY -0.00024 0.00174 0.00305 0.00097 0.00036 163 2PZ 0.00387 0.00221 -0.00980 -0.00131 -0.00543 164 3S -0.00182 -0.00125 0.00542 -0.15830 0.24228 165 3PX 0.00308 0.00835 0.00080 0.00113 -0.00315 166 3PY 0.00027 -0.00080 -0.00011 0.00251 -0.01345 167 3PZ 0.00168 0.00240 -0.00183 -0.00982 0.03047 168 4XX 0.00014 0.00008 -0.00041 -0.01240 -0.01304 169 4YY 0.00005 0.00026 0.00008 -0.01693 -0.00310 170 4ZZ -0.00002 -0.00040 -0.00031 -0.01781 -0.00166 171 4XY 0.00001 0.00009 -0.00014 -0.00134 0.00254 172 4XZ -0.00021 0.00017 0.00007 0.00350 -0.00743 173 4YZ 0.00005 0.00030 0.00039 0.00175 -0.00281 174 16 H 1S 0.00010 0.00007 -0.00104 0.01228 -0.02561 175 2S 0.00001 0.00002 -0.00036 0.01413 -0.02480 176 17 H 1S 0.00061 0.00011 0.00036 -0.00834 0.01853 177 2S 0.00078 -0.00002 0.00046 -0.01169 0.02553 178 18 H 1S -0.00075 -0.00039 0.00062 -0.00055 0.00024 179 2S -0.00054 -0.00038 0.00067 -0.00112 0.00004 180 19 H 1S -0.00196 -0.00197 0.00112 -0.00765 0.01861 181 2S -0.00230 0.00141 0.00287 -0.01117 0.02682 182 20 H 1S 0.00237 0.00185 0.00063 0.01202 -0.02505 183 2S 0.00162 0.00344 0.00082 0.01331 -0.02557 184 21 H 1S 0.00010 -0.00402 -0.00406 -0.06047 0.11437 185 2S 0.00095 -0.00382 -0.00629 -0.01307 0.02613 186 22 H 1S -0.00087 0.00039 0.00054 -0.00129 0.00194 187 2S -0.00114 0.00119 0.00035 -0.00201 0.00358 188 23 H 1S -0.00078 -0.00297 0.00156 0.00146 -0.00211 189 2S -0.00206 -0.00037 0.00201 0.00149 -0.00233 161 162 163 164 165 161 2PX 0.35515 162 2PY -0.00138 0.41443 163 2PZ -0.03125 0.00023 0.40211 164 3S 0.00291 0.01317 0.04226 0.23666 165 3PX 0.21933 -0.01073 0.03527 0.00653 0.14682 166 3PY -0.02697 0.13648 -0.00083 0.00804 -0.02135 167 3PZ 0.04209 -0.01216 0.12272 0.02201 0.04331 168 4XX 0.00071 -0.00285 0.00347 -0.00857 0.00095 169 4YY 0.00128 0.01322 0.00403 -0.00280 0.00121 170 4ZZ -0.00663 -0.01342 -0.00166 0.00017 -0.00369 171 4XY -0.00125 -0.00159 0.00728 0.00508 0.00039 172 4XZ -0.00287 0.00739 -0.00687 -0.00603 -0.00244 173 4YZ 0.00873 0.00073 -0.01435 -0.00535 0.00323 174 16 H 1S 0.00303 -0.04306 -0.02281 -0.06018 -0.00165 175 2S 0.01688 -0.08409 -0.04849 -0.06560 0.00208 176 17 H 1S 0.00155 0.03521 -0.00164 0.05322 -0.00062 177 2S -0.00347 0.06912 -0.01169 0.05940 -0.00551 178 18 H 1S -0.00220 0.00239 -0.00167 0.01612 -0.00419 179 2S 0.00424 0.00404 0.00328 0.02477 0.00014 180 19 H 1S 0.02816 -0.01506 -0.01740 0.02092 0.01982 181 2S 0.07206 -0.02254 -0.02835 0.02508 0.04660 182 20 H 1S 0.00096 0.03529 0.02659 -0.05395 0.00252 183 2S 0.00975 0.07176 0.04540 -0.05132 0.00957 184 21 H 1S -0.10770 -0.13135 0.20427 0.11163 -0.03752 185 2S -0.10364 -0.11577 0.18742 0.05136 -0.03642 186 22 H 1S 0.00672 -0.00025 -0.00058 0.02356 0.01370 187 2S 0.02593 -0.00482 0.00549 0.02297 0.02957 188 23 H 1S -0.03905 0.00246 -0.01315 -0.01502 -0.03448 189 2S -0.03687 -0.00133 -0.01424 -0.01376 -0.02833 166 167 168 169 170 166 3PY 0.05806 167 3PZ -0.01311 0.05819 168 4XX -0.00047 0.00024 0.00073 169 4YY 0.00303 0.00086 0.00012 0.00115 170 4ZZ -0.00273 -0.00118 0.00023 -0.00055 0.00110 171 4XY 0.00047 0.00152 -0.00013 -0.00010 0.00021 172 4XZ 0.00263 -0.00329 0.00011 0.00028 -0.00017 173 4YZ -0.00013 -0.00261 -0.00002 0.00006 -0.00015 174 16 H 1S -0.01990 0.00236 0.00081 0.00186 0.00087 175 2S -0.03592 0.00209 0.00147 -0.00152 0.00200 176 17 H 1S 0.03275 0.00183 -0.00046 -0.00128 -0.00063 177 2S 0.04660 -0.00343 -0.00112 -0.00111 -0.00081 178 18 H 1S 0.01297 -0.00567 -0.00017 0.00009 0.00061 179 2S 0.01711 -0.00732 -0.00039 -0.00011 0.00099 180 19 H 1S -0.02578 -0.00544 -0.00086 0.00025 -0.00164 181 2S -0.03336 -0.00233 -0.00103 0.00042 -0.00286 182 20 H 1S 0.00018 0.01405 -0.00033 0.00812 -0.00390 183 2S 0.00649 0.02119 0.00003 0.00887 -0.00647 184 21 H 1S -0.03856 0.06086 -0.00203 -0.00398 0.00567 185 2S -0.02570 0.04161 0.00088 -0.00348 0.00600 186 22 H 1S -0.00497 -0.00836 0.00027 -0.00023 0.00005 187 2S -0.00938 0.00074 0.00023 -0.00045 0.00039 188 23 H 1S 0.00227 -0.00080 0.00050 0.00001 -0.00025 189 2S 0.00082 -0.00004 0.00001 0.00008 0.00050 171 172 173 174 175 171 4XY 0.00077 172 4XZ -0.00002 0.00070 173 4YZ -0.00032 0.00039 0.00134 174 16 H 1S -0.00413 0.00003 0.00776 0.21724 175 2S -0.00450 -0.00047 0.00806 0.17508 0.16429 176 17 H 1S 0.00001 0.00045 0.00187 -0.02322 -0.02696 177 2S 0.00060 0.00118 0.00241 -0.02780 -0.03281 178 18 H 1S 0.00118 0.00007 -0.00062 -0.00920 -0.02129 179 2S 0.00307 0.00015 -0.00105 -0.02202 -0.03595 180 19 H 1S -0.00075 0.00061 0.00052 0.00337 0.00973 181 2S -0.00152 0.00015 0.00176 0.00687 0.01666 182 20 H 1S -0.00110 0.00251 0.00540 -0.00954 -0.01804 183 2S -0.00127 0.00294 0.00316 -0.02017 -0.02680 184 21 H 1S 0.00596 -0.00814 -0.01198 -0.02200 -0.02493 185 2S 0.00552 -0.00608 -0.01152 -0.02493 -0.03128 186 22 H 1S -0.00205 -0.00071 -0.00073 0.00019 -0.00468 187 2S -0.00214 -0.00074 -0.00096 0.00012 -0.00455 188 23 H 1S 0.00095 0.00152 0.00018 -0.00040 0.00019 189 2S 0.00209 0.00261 0.00057 0.00029 -0.00060 176 177 178 179 180 176 17 H 1S 0.21689 177 2S 0.17480 0.16312 178 18 H 1S -0.01313 -0.00817 0.21677 179 2S -0.01111 -0.00323 0.17930 0.17241 180 19 H 1S -0.00710 -0.01833 -0.02802 -0.03301 0.21677 181 2S -0.01349 -0.02634 -0.03300 -0.03951 0.17930 182 20 H 1S 0.00167 -0.00097 -0.00710 -0.01348 -0.01313 183 2S -0.00097 -0.00327 -0.01833 -0.02633 -0.00818 184 21 H 1S -0.00954 -0.02017 0.00337 0.00687 -0.00920 185 2S -0.01804 -0.02680 0.00973 0.01666 -0.02129 186 22 H 1S -0.00866 -0.00364 -0.02461 -0.05553 0.01641 187 2S -0.00561 -0.00187 -0.05111 -0.06291 0.02854 188 23 H 1S -0.00553 -0.01301 0.01642 0.03289 -0.02461 189 2S -0.01238 -0.01781 0.02855 0.04384 -0.05111 181 182 183 184 185 181 2S 0.17240 182 20 H 1S -0.01111 0.21689 183 2S -0.00323 0.17480 0.16313 184 21 H 1S -0.02202 -0.02322 -0.02780 0.21724 185 2S -0.03594 -0.02696 -0.03281 0.17508 0.16429 186 22 H 1S 0.03288 -0.00554 -0.01301 -0.00040 0.00019 187 2S 0.04383 -0.01239 -0.01781 0.00029 -0.00060 188 23 H 1S -0.05553 -0.00866 -0.00363 0.00019 -0.00468 189 2S -0.06291 -0.00561 -0.00187 0.00013 -0.00455 186 187 188 189 186 22 H 1S 0.21519 187 2S 0.17214 0.15965 188 23 H 1S -0.03097 -0.03287 0.21519 189 2S -0.03287 -0.03048 0.17214 0.15965 Full Mulliken population analysis: 1 2 3 4 5 1 1 C 1S 2.05261 2 2S -0.01388 0.33256 3 2PX 0.00000 0.00000 0.35371 4 2PY 0.00000 0.00000 0.00000 0.42804 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.37250 6 3S -0.03169 0.22153 0.00000 0.00000 0.00000 7 3PX 0.00000 0.00000 0.10356 0.00000 0.00000 8 3PY 0.00000 0.00000 0.00000 0.06761 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.08662 10 4XX -0.00098 -0.00823 0.00000 0.00000 0.00000 11 4YY -0.00136 -0.00089 0.00000 0.00000 0.00000 12 4ZZ -0.00119 -0.00395 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 -0.00066 0.00000 -0.00298 0.00000 17 2S -0.00066 0.01406 0.00000 0.04390 0.00000 18 2PX 0.00000 0.00000 0.01689 0.00000 0.00000 19 2PY -0.00298 0.04390 0.00000 0.10306 0.00000 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.01345 21 3S 0.00022 0.00850 0.00000 0.03419 0.00000 22 3PX 0.00000 0.00000 0.02495 0.00000 0.00000 23 3PY -0.00027 0.01059 0.00000 0.01765 0.00000 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.02001 25 4XX 0.00000 -0.00058 0.00000 -0.00161 0.00000 26 4YY -0.00028 0.00372 0.00000 0.00305 0.00000 27 4ZZ 0.00000 -0.00072 0.00000 -0.00139 0.00000 28 4XY 0.00000 0.00000 0.00216 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 0.00225 31 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 32 2S 0.00000 -0.00017 -0.00052 -0.00020 0.00001 33 2PX 0.00000 -0.00050 -0.00057 -0.00023 -0.00040 34 2PY 0.00000 -0.00005 -0.00033 -0.00001 -0.00024 35 2PZ 0.00000 -0.00019 -0.00046 -0.00005 0.00001 36 3S 0.00010 -0.00108 -0.00375 -0.00142 -0.00004 37 3PX 0.00029 -0.00351 0.00031 -0.00101 -0.00346 38 3PY 0.00003 -0.00050 -0.00201 -0.00009 -0.00105 39 3PZ 0.00009 -0.00101 -0.00140 -0.00016 0.00004 40 4XX 0.00000 0.00003 0.00016 -0.00002 0.00008 41 4YY 0.00000 -0.00002 -0.00007 0.00000 -0.00003 42 4ZZ 0.00000 0.00002 0.00010 -0.00001 0.00001 43 4XY 0.00000 0.00001 0.00001 0.00000 0.00002 44 4XZ 0.00000 0.00002 0.00013 0.00001 0.00003 45 4YZ 0.00000 0.00000 0.00006 0.00000 0.00000 46 4 O 1S 0.00000 -0.00007 -0.00042 -0.00007 -0.00030 47 2S -0.00002 0.00123 0.00793 0.00179 0.00540 48 2PX -0.00023 0.01163 0.01476 0.00636 0.01937 49 2PY -0.00005 0.00233 0.00492 -0.00073 0.00370 50 2PZ -0.00013 0.00563 0.02017 0.00360 0.00309 51 3S 0.00037 -0.00405 0.00779 -0.00266 0.00958 52 3PX -0.00205 0.02126 0.00872 0.00721 0.01956 53 3PY -0.00079 0.00710 0.00657 -0.00457 0.00651 54 3PZ -0.00126 0.01050 0.02145 0.00438 -0.00174 55 4XX -0.00006 0.00082 -0.00105 0.00079 0.00109 56 4YY -0.00001 0.00013 0.00047 0.00000 0.00044 57 4ZZ -0.00002 0.00024 0.00134 0.00049 -0.00045 58 4XY -0.00007 0.00081 0.00075 0.00022 0.00104 59 4XZ -0.00016 0.00148 0.00068 0.00040 0.00008 60 4YZ -0.00005 0.00045 0.00134 0.00014 0.00010 61 5 H 1S -0.00228 0.03690 0.00793 0.03846 0.05133 62 2S -0.00156 0.01879 0.00288 0.02289 0.03191 63 6 H 1S 0.00000 -0.00021 -0.00002 -0.00048 0.00001 64 2S 0.00025 -0.00404 -0.00034 -0.00663 -0.00022 65 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 -0.00004 0.00100 0.00005 -0.00012 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 -0.00004 0.00007 -0.00016 -0.00005 70 2PY 0.00000 -0.00017 -0.00008 -0.00034 -0.00005 71 2PZ 0.00000 0.00001 -0.00008 -0.00013 0.00003 72 3S -0.00001 -0.00010 -0.00115 0.00120 -0.00084 73 3PX 0.00003 -0.00090 0.00052 -0.00165 -0.00102 74 3PY 0.00012 -0.00335 -0.00153 -0.00361 -0.00042 75 3PZ -0.00001 0.00029 -0.00155 -0.00159 -0.00018 76 4XX 0.00000 0.00000 -0.00001 -0.00004 0.00002 77 4YY 0.00000 -0.00003 -0.00001 -0.00006 0.00001 78 4ZZ 0.00000 0.00000 0.00002 -0.00002 0.00000 79 4XY 0.00000 0.00002 0.00002 0.00012 0.00000 80 4XZ 0.00000 0.00000 0.00000 0.00001 0.00000 81 4YZ 0.00000 0.00001 0.00001 0.00006 0.00000 82 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 83 2S -0.00001 0.00018 0.00049 0.00002 0.00017 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 -0.00002 87 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00000 -0.00001 0.00000 -0.00001 89 3S 0.00000 0.00000 -0.00010 -0.00008 -0.00011 90 3PX 0.00001 -0.00029 -0.00048 0.00014 -0.00123 91 3PY 0.00000 -0.00003 -0.00026 0.00002 -0.00039 92 3PZ 0.00001 -0.00023 -0.00085 0.00001 -0.00084 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 -0.00003 0.00006 -0.00004 -0.00007 105 3PX 0.00001 -0.00021 -0.00027 -0.00041 -0.00043 106 3PY 0.00000 -0.00001 0.00037 0.00007 0.00017 107 3PZ 0.00000 -0.00009 0.00001 -0.00034 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 -0.00001 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 -0.00005 -0.00069 0.00006 -0.00003 120 3PX 0.00000 0.00000 -0.00016 -0.00001 0.00000 121 3PY 0.00000 0.00001 0.00000 -0.00002 0.00001 122 3PZ 0.00000 0.00001 0.00003 0.00000 -0.00005 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 -0.00003 0.00000 0.00000 131 2PX 0.00000 -0.00002 -0.00009 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 -0.00057 -0.00076 -0.00002 -0.00003 135 3PX 0.00005 -0.00086 -0.00006 -0.00002 -0.00005 136 3PY 0.00000 0.00001 0.00006 -0.00012 0.00000 137 3PZ 0.00000 -0.00002 -0.00003 0.00000 -0.00015 138 4XX 0.00000 0.00000 0.00002 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 -0.00009 0.00003 -0.00002 0.00007 146 2PX 0.00000 0.00020 0.00187 0.00023 0.00122 147 2PY 0.00000 0.00001 0.00027 -0.00001 0.00012 148 2PZ 0.00000 0.00006 0.00077 0.00006 0.00032 149 3S 0.00005 -0.00009 -0.00022 -0.00008 0.00158 150 3PX 0.00000 0.00035 0.00670 0.00092 0.00586 151 3PY -0.00001 0.00032 0.00053 0.00001 0.00076 152 3PZ -0.00008 0.00091 0.00443 0.00082 0.00060 153 4XX 0.00000 0.00002 0.00007 0.00002 0.00005 154 4YY 0.00000 0.00000 -0.00001 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00001 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00002 0.00000 0.00001 157 4XZ 0.00000 0.00003 0.00011 0.00002 0.00002 158 4YZ 0.00000 0.00000 0.00001 0.00000 0.00001 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 -0.00001 0.00000 -0.00002 161 2PX 0.00000 -0.00001 -0.00002 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 -0.00002 -0.00004 0.00000 -0.00004 164 3S 0.00000 -0.00003 0.00036 0.00000 0.00011 165 3PX 0.00002 -0.00059 -0.00051 0.00000 -0.00063 166 3PY 0.00000 0.00000 0.00000 0.00009 0.00000 167 3PZ 0.00002 -0.00062 -0.00031 0.00000 -0.00069 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 0.00000 0.00000 0.00000 -0.00001 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00001 0.00000 0.00004 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00002 0.00008 -0.00003 -0.00002 180 19 H 1S 0.00000 0.00000 -0.00001 0.00000 0.00000 181 2S 0.00000 -0.00009 -0.00046 0.00000 0.00016 182 20 H 1S 0.00000 0.00000 -0.00001 -0.00001 0.00000 183 2S 0.00001 -0.00014 -0.00057 -0.00047 -0.00021 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00001 0.00003 0.00000 0.00005 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 0.00002 0.00011 0.00000 0.00001 6 7 8 9 10 6 3S 0.29973 7 3PX 0.00000 0.12473 8 3PY 0.00000 0.00000 0.05430 9 3PZ 0.00000 0.00000 0.00000 0.08173 10 4XX -0.00569 0.00000 0.00000 0.00000 0.00257 11 4YY -0.00013 0.00000 0.00000 0.00000 -0.00022 12 4ZZ -0.00315 0.00000 0.00000 0.00000 -0.00017 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 0.00022 0.00000 -0.00027 0.00000 0.00000 17 2S 0.00850 0.00000 0.01059 0.00000 -0.00058 18 2PX 0.00000 0.02495 0.00000 0.00000 0.00000 19 2PY 0.03420 0.00000 0.01765 0.00000 -0.00161 20 2PZ 0.00000 0.00000 0.00000 0.02001 0.00000 21 3S -0.02067 0.00000 -0.00416 0.00000 -0.00086 22 3PX 0.00000 0.03516 0.00000 0.00000 0.00000 23 3PY -0.00416 0.00000 0.00160 0.00000 -0.00173 24 3PZ 0.00000 0.00000 0.00000 0.02759 0.00000 25 4XX -0.00086 0.00000 -0.00173 0.00000 0.00004 26 4YY 0.00373 0.00000 0.00134 0.00000 -0.00004 27 4ZZ -0.00221 0.00000 -0.00081 0.00000 0.00000 28 4XY 0.00000 0.00129 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 0.00098 0.00000 31 3 C 1S 0.00007 0.00024 0.00007 -0.00002 0.00000 32 2S -0.00077 -0.00343 -0.00115 0.00097 0.00004 33 2PX -0.00349 -0.00246 -0.00025 -0.00079 0.00014 34 2PY 0.00049 -0.00178 -0.00087 -0.00083 0.00003 35 2PZ -0.00159 -0.00220 0.00017 0.00003 0.00005 36 3S 0.00114 -0.00718 -0.00271 0.00295 0.00005 37 3PX -0.00871 0.00157 0.00029 -0.00415 0.00006 38 3PY 0.00058 -0.00176 0.00005 -0.00046 -0.00002 39 3PZ -0.00128 -0.00325 -0.00026 -0.00045 0.00043 40 4XX -0.00025 0.00049 0.00008 0.00008 -0.00001 41 4YY -0.00017 -0.00061 0.00004 -0.00019 0.00000 42 4ZZ 0.00033 0.00059 -0.00007 0.00004 0.00000 43 4XY 0.00002 -0.00015 -0.00008 -0.00007 0.00000 44 4XZ 0.00006 0.00008 -0.00003 0.00001 0.00002 45 4YZ 0.00002 0.00010 -0.00002 0.00000 0.00001 46 4 O 1S 0.00133 0.00029 -0.00027 0.00044 -0.00004 47 2S -0.02021 -0.00428 0.00287 -0.00588 0.00111 48 2PX 0.00349 0.00051 0.00069 0.00347 -0.00088 49 2PY 0.00289 -0.00129 0.00461 0.00029 0.00079 50 2PZ 0.00684 0.00776 0.00155 -0.00120 0.00394 51 3S -0.06296 -0.01155 0.00244 -0.01076 0.00123 52 3PX 0.00095 -0.00193 -0.00011 0.00196 -0.00176 53 3PY 0.00839 -0.00310 0.01104 0.00115 0.00111 54 3PZ 0.01609 0.00886 0.00298 -0.00697 0.00637 55 4XX 0.00153 -0.00127 0.00052 0.00103 -0.00004 56 4YY 0.00058 -0.00036 -0.00023 0.00029 0.00008 57 4ZZ 0.00101 0.00207 0.00016 -0.00055 0.00009 58 4XY 0.00017 0.00001 0.00020 0.00006 -0.00006 59 4XZ 0.00042 0.00000 0.00004 0.00005 -0.00001 60 4YZ 0.00017 0.00020 0.00012 0.00001 0.00018 61 5 H 1S 0.05109 0.00330 0.01136 0.02349 -0.00138 62 2S 0.03020 -0.00079 0.00771 0.02377 -0.00261 63 6 H 1S -0.00438 -0.00015 -0.00396 0.00001 0.00000 64 2S -0.01600 -0.00044 -0.00968 0.00022 0.00021 65 7 H 1S -0.00005 0.00032 0.00003 0.00001 0.00000 66 2S -0.00222 0.00603 0.00084 -0.00068 -0.00023 67 8 O 1S -0.00013 0.00000 -0.00014 -0.00001 0.00000 68 2S 0.00200 0.00009 0.00147 0.00034 0.00000 69 2PX -0.00074 0.00019 -0.00020 -0.00007 0.00000 70 2PY -0.00427 0.00105 -0.00423 0.00087 0.00000 71 2PZ 0.00027 -0.00124 -0.00151 -0.00029 0.00000 72 3S 0.01262 -0.00127 0.00962 -0.00039 -0.00004 73 3PX -0.00356 -0.00142 0.00009 -0.00098 -0.00006 74 3PY -0.01640 0.00199 -0.01058 0.00302 -0.00001 75 3PZ 0.00197 -0.00483 -0.00484 -0.00248 0.00005 76 4XX 0.00004 -0.00009 -0.00019 0.00016 0.00000 77 4YY -0.00062 0.00005 -0.00056 0.00015 0.00000 78 4ZZ -0.00011 0.00011 -0.00017 -0.00006 0.00000 79 4XY 0.00000 0.00001 0.00010 0.00000 0.00000 80 4XZ 0.00000 0.00000 -0.00002 -0.00001 0.00000 81 4YZ -0.00001 0.00000 -0.00001 0.00000 0.00000 82 9 H 1S 0.00021 0.00022 -0.00007 0.00011 0.00000 83 2S 0.00178 0.00190 -0.00023 0.00035 0.00004 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S -0.00015 0.00000 -0.00010 -0.00019 0.00000 86 2PX -0.00017 -0.00053 0.00037 -0.00080 0.00000 87 2PY -0.00004 -0.00022 0.00003 -0.00008 0.00000 88 2PZ -0.00040 -0.00056 0.00002 -0.00077 0.00000 89 3S -0.00079 -0.00069 -0.00029 -0.00045 0.00000 90 3PX -0.00156 -0.00149 0.00180 -0.00467 -0.00001 91 3PY -0.00041 -0.00149 0.00008 -0.00119 -0.00001 92 3PZ -0.00183 -0.00411 0.00119 -0.00299 -0.00002 93 4XX 0.00000 0.00000 0.00000 0.00001 0.00000 94 4YY 0.00001 0.00000 0.00000 0.00000 0.00000 95 4ZZ 0.00000 0.00001 -0.00001 0.00001 0.00000 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00001 0.00000 98 4YZ 0.00001 -0.00001 0.00000 0.00001 0.00000 99 11 C 1S 0.00000 0.00001 -0.00001 0.00000 0.00000 100 2S -0.00024 -0.00037 -0.00005 -0.00029 0.00000 101 2PX -0.00001 -0.00015 0.00030 -0.00014 0.00000 102 2PY -0.00053 -0.00023 -0.00029 -0.00013 0.00000 103 2PZ 0.00006 -0.00034 0.00025 0.00002 0.00000 104 3S -0.00063 0.00011 -0.00066 -0.00048 0.00001 105 3PX -0.00028 -0.00120 0.00185 -0.00121 -0.00002 106 3PY -0.00030 0.00116 -0.00036 0.00043 0.00003 107 3PZ 0.00002 -0.00058 0.00013 -0.00007 0.00000 108 4XX 0.00000 0.00001 0.00000 0.00003 0.00000 109 4YY 0.00002 -0.00002 0.00003 -0.00001 0.00000 110 4ZZ 0.00000 0.00004 -0.00003 0.00001 0.00000 111 4XY 0.00000 0.00001 0.00000 0.00001 0.00000 112 4XZ 0.00001 0.00005 -0.00003 0.00001 0.00000 113 4YZ 0.00001 0.00001 0.00000 0.00000 0.00000 114 12 C 1S 0.00000 0.00001 0.00000 0.00000 0.00000 115 2S -0.00006 -0.00045 0.00004 -0.00001 0.00000 116 2PX -0.00015 -0.00059 -0.00006 -0.00002 0.00000 117 2PY -0.00004 -0.00004 -0.00001 -0.00001 0.00000 118 2PZ 0.00001 0.00003 0.00000 -0.00002 0.00000 119 3S -0.00107 -0.00499 0.00095 -0.00021 -0.00001 120 3PX -0.00023 -0.00060 -0.00019 -0.00001 0.00002 121 3PY -0.00032 0.00039 -0.00007 -0.00001 0.00000 122 3PZ 0.00008 0.00016 -0.00002 -0.00026 0.00000 123 4XX 0.00001 0.00003 0.00000 0.00000 0.00000 124 4YY 0.00000 -0.00001 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 -0.00001 0.00000 0.00000 126 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00001 0.00004 0.00000 0.00000 0.00000 130 2S -0.00039 -0.00054 -0.00001 -0.00004 0.00000 131 2PX -0.00103 -0.00093 -0.00007 -0.00012 0.00001 132 2PY 0.00001 -0.00001 -0.00005 0.00000 0.00000 133 2PZ -0.00005 -0.00001 0.00000 -0.00009 0.00000 134 3S -0.00286 -0.00326 -0.00007 -0.00021 0.00002 135 3PX -0.00331 0.00013 -0.00011 -0.00021 0.00011 136 3PY 0.00010 0.00014 -0.00044 0.00001 0.00000 137 3PZ -0.00013 -0.00007 0.00000 -0.00061 0.00001 138 4XX 0.00014 0.00044 0.00001 0.00003 0.00000 139 4YY -0.00001 -0.00009 0.00000 0.00000 0.00000 140 4ZZ -0.00003 -0.00011 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 -0.00001 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 0.00014 0.00009 0.00000 0.00002 0.00000 145 2S -0.00004 -0.00126 -0.00033 0.00072 0.00003 146 2PX 0.00261 0.00616 0.00210 0.00580 0.00008 147 2PY 0.00095 0.00128 0.00017 0.00057 0.00002 148 2PZ -0.00004 0.00484 0.00095 0.00028 0.00007 149 3S 0.00281 -0.00116 -0.00008 0.00367 0.00050 150 3PX 0.00467 0.00921 0.00428 0.01035 0.00053 151 3PY 0.00185 0.00120 -0.00005 0.00121 0.00019 152 3PZ 0.00257 0.00994 0.00215 -0.00078 0.00046 153 4XX 0.00019 0.00050 0.00013 0.00022 0.00000 154 4YY -0.00014 -0.00024 0.00000 -0.00005 0.00000 155 4ZZ 0.00001 0.00010 -0.00004 -0.00002 0.00000 156 4XY 0.00002 0.00004 0.00000 0.00004 0.00000 157 4XZ 0.00013 0.00025 0.00005 0.00003 0.00000 158 4YZ 0.00000 0.00006 -0.00001 0.00000 0.00000 159 15 C 1S 0.00001 0.00002 0.00000 0.00004 0.00000 160 2S 0.00008 -0.00065 0.00000 -0.00032 0.00000 161 2PX -0.00034 -0.00035 0.00000 -0.00045 0.00000 162 2PY 0.00000 0.00000 -0.00004 0.00000 0.00000 163 2PZ 0.00017 -0.00158 -0.00001 0.00009 0.00000 164 3S 0.00047 0.00174 0.00000 0.00066 -0.00004 165 3PX -0.00225 -0.00124 0.00000 -0.00274 0.00004 166 3PY 0.00000 0.00000 -0.00020 0.00000 0.00000 167 3PZ -0.00168 -0.00234 -0.00001 -0.00122 -0.00005 168 4XX 0.00000 0.00000 0.00000 -0.00003 0.00000 169 4YY -0.00002 -0.00003 0.00000 -0.00004 0.00000 170 4ZZ 0.00006 0.00014 0.00000 0.00012 0.00000 171 4XY 0.00000 0.00000 0.00002 0.00000 0.00000 172 4XZ 0.00002 0.00005 0.00000 0.00010 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00001 0.00000 175 2S 0.00012 -0.00010 0.00017 0.00006 0.00000 176 17 H 1S 0.00001 0.00000 0.00003 0.00000 0.00000 177 2S 0.00040 0.00007 0.00037 0.00002 0.00000 178 18 H 1S 0.00002 0.00001 -0.00003 0.00000 0.00000 179 2S 0.00031 0.00085 -0.00059 -0.00014 0.00000 180 19 H 1S -0.00045 -0.00048 -0.00014 0.00009 0.00000 181 2S -0.00210 -0.00172 -0.00057 0.00049 -0.00004 182 20 H 1S -0.00045 -0.00066 0.00017 -0.00012 0.00000 183 2S -0.00291 -0.00300 0.00034 -0.00089 -0.00003 184 21 H 1S -0.00001 0.00003 0.00001 -0.00004 0.00000 185 2S -0.00029 0.00045 0.00014 -0.00034 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00004 0.00029 0.00001 0.00002 0.00000 188 23 H 1S 0.00001 0.00003 0.00000 0.00000 0.00000 189 2S 0.00046 0.00124 0.00011 0.00012 0.00000 11 12 13 14 15 11 4YY 0.00122 12 4ZZ -0.00012 0.00177 13 4XY 0.00000 0.00000 0.00157 14 4XZ 0.00000 0.00000 0.00000 0.00159 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00181 16 2 C 1S -0.00028 0.00000 0.00000 0.00000 0.00000 17 2S 0.00372 -0.00072 0.00000 0.00000 0.00000 18 2PX 0.00000 0.00000 0.00216 0.00000 0.00000 19 2PY 0.00305 -0.00139 0.00000 0.00000 0.00000 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.00225 21 3S 0.00373 -0.00221 0.00000 0.00000 0.00000 22 3PX 0.00000 0.00000 0.00129 0.00000 0.00000 23 3PY 0.00134 -0.00081 0.00000 0.00000 0.00000 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.00098 25 4XX -0.00004 0.00000 0.00000 0.00000 0.00000 26 4YY -0.00006 -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 -0.00001 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 0.00001 0.00002 0.00001 0.00002 33 2PX -0.00003 0.00003 0.00007 0.00008 0.00005 34 2PY 0.00000 0.00001 0.00000 -0.00001 0.00000 35 2PZ -0.00001 0.00001 0.00002 0.00002 0.00001 36 3S -0.00010 0.00006 0.00006 -0.00004 0.00007 37 3PX -0.00021 0.00050 0.00013 0.00005 0.00004 38 3PY 0.00003 -0.00001 -0.00008 -0.00009 -0.00004 39 3PZ -0.00006 -0.00011 0.00001 0.00000 0.00000 40 4XX 0.00000 0.00001 0.00001 0.00002 0.00000 41 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 42 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 43 4XY 0.00000 0.00000 0.00000 0.00001 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 -0.00005 -0.00009 -0.00003 47 2S -0.00019 0.00021 0.00087 0.00166 0.00057 48 2PX -0.00052 0.00162 0.00035 0.00279 0.00102 49 2PY 0.00017 0.00032 0.00028 0.00123 0.00016 50 2PZ -0.00025 -0.00069 0.00138 0.00027 0.00003 51 3S -0.00005 0.00061 0.00101 0.00119 0.00077 52 3PX -0.00162 0.00391 -0.00001 0.00080 0.00057 53 3PY -0.00053 0.00066 0.00077 0.00085 0.00048 54 3PZ -0.00071 -0.00229 0.00089 -0.00001 0.00000 55 4XX -0.00001 0.00005 0.00002 0.00001 -0.00002 56 4YY -0.00004 0.00003 0.00002 0.00010 0.00001 57 4ZZ 0.00000 -0.00003 0.00002 -0.00002 -0.00001 58 4XY 0.00000 0.00004 0.00000 0.00011 -0.00003 59 4XZ -0.00003 0.00000 0.00003 0.00007 0.00000 60 4YZ 0.00000 -0.00003 -0.00002 0.00002 0.00000 61 5 H 1S -0.00041 0.00210 0.00064 0.00044 0.00359 62 2S -0.00056 0.00337 0.00014 0.00008 0.00064 63 6 H 1S 0.00001 0.00001 0.00001 0.00000 0.00004 64 2S -0.00032 0.00033 0.00001 0.00001 0.00022 65 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 0.00009 0.00002 0.00001 -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 0.00001 0.00000 0.00001 0.00000 0.00000 72 3S 0.00013 -0.00001 -0.00002 -0.00004 0.00002 73 3PX 0.00010 0.00010 0.00006 0.00000 0.00008 74 3PY 0.00038 -0.00004 0.00008 -0.00004 0.00013 75 3PZ 0.00007 -0.00003 0.00006 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 0.00001 0.00000 0.00001 0.00000 0.00000 82 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 83 2S 0.00001 -0.00007 -0.00001 -0.00002 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 0.00001 0.00000 -0.00001 0.00000 90 3PX 0.00000 0.00006 -0.00001 0.00000 -0.00001 91 3PY 0.00000 0.00001 0.00000 -0.00001 0.00000 92 3PZ -0.00001 0.00005 0.00000 -0.00001 -0.00001 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 0.00000 0.00000 0.00000 0.00001 105 3PX 0.00001 0.00001 0.00006 -0.00002 0.00006 106 3PY 0.00001 -0.00002 0.00002 0.00001 0.00001 107 3PZ 0.00000 0.00000 0.00004 0.00000 0.00001 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 -0.00001 0.00000 0.00000 120 3PX -0.00001 0.00000 0.00000 0.00000 0.00000 121 3PY 0.00000 0.00000 0.00001 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 0.00001 0.00000 0.00001 0.00000 135 3PX 0.00001 -0.00002 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 0.00001 0.00003 0.00001 146 2PX -0.00001 -0.00002 0.00002 0.00011 0.00001 147 2PY 0.00000 0.00000 0.00000 0.00001 0.00000 148 2PZ 0.00000 -0.00001 0.00001 0.00003 0.00000 149 3S -0.00008 -0.00023 -0.00001 0.00008 0.00002 150 3PX -0.00013 -0.00020 0.00005 0.00028 0.00007 151 3PY -0.00002 -0.00011 0.00004 0.00004 0.00000 152 3PZ -0.00009 -0.00011 0.00003 0.00003 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 0.00001 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00001 0.00000 164 3S 0.00000 0.00007 0.00000 0.00000 0.00000 165 3PX -0.00003 0.00008 0.00000 0.00008 0.00000 166 3PY 0.00000 0.00000 -0.00001 0.00000 -0.00002 167 3PZ -0.00002 0.00014 0.00000 0.00008 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 0.00000 0.00002 0.00000 0.00002 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 2.05261 17 2S -0.01388 0.33257 18 2PX 0.00000 0.00000 0.35371 19 2PY 0.00000 0.00000 0.00000 0.42805 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.37249 21 3S -0.03169 0.22153 0.00000 0.00000 0.00000 22 3PX 0.00000 0.00000 0.10356 0.00000 0.00000 23 3PY 0.00000 0.00000 0.00000 0.06761 0.00000 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.08662 25 4XX -0.00098 -0.00823 0.00000 0.00000 0.00000 26 4YY -0.00136 -0.00089 0.00000 0.00000 0.00000 27 4ZZ -0.00119 -0.00395 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 -0.00017 -0.00052 -0.00020 0.00001 33 2PX 0.00000 -0.00050 -0.00057 -0.00023 -0.00040 34 2PY 0.00000 -0.00005 -0.00033 -0.00001 -0.00024 35 2PZ 0.00000 -0.00019 -0.00046 -0.00005 0.00001 36 3S 0.00010 -0.00108 -0.00375 -0.00142 -0.00004 37 3PX 0.00029 -0.00351 0.00031 -0.00101 -0.00346 38 3PY 0.00003 -0.00050 -0.00201 -0.00009 -0.00105 39 3PZ 0.00009 -0.00101 -0.00139 -0.00016 0.00004 40 4XX 0.00000 0.00003 0.00016 -0.00002 0.00008 41 4YY 0.00000 -0.00002 -0.00007 0.00000 -0.00003 42 4ZZ 0.00000 0.00002 0.00010 -0.00001 0.00001 43 4XY 0.00000 0.00001 0.00001 0.00000 0.00002 44 4XZ 0.00000 0.00002 0.00013 0.00001 0.00003 45 4YZ 0.00000 0.00000 0.00006 0.00000 0.00000 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 -0.00004 0.00007 -0.00016 -0.00005 49 2PY 0.00000 -0.00017 -0.00008 -0.00034 -0.00005 50 2PZ 0.00000 0.00001 -0.00008 -0.00013 0.00003 51 3S -0.00001 -0.00010 -0.00115 0.00120 -0.00084 52 3PX 0.00003 -0.00090 0.00052 -0.00165 -0.00102 53 3PY 0.00012 -0.00335 -0.00153 -0.00361 -0.00042 54 3PZ -0.00001 0.00029 -0.00155 -0.00159 -0.00018 55 4XX 0.00000 0.00000 -0.00001 -0.00004 0.00002 56 4YY 0.00000 -0.00003 -0.00001 -0.00006 0.00001 57 4ZZ 0.00000 0.00000 0.00002 -0.00002 0.00000 58 4XY 0.00000 0.00002 0.00002 0.00012 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00001 0.00000 60 4YZ 0.00000 0.00001 0.00001 0.00006 0.00000 61 5 H 1S 0.00000 -0.00021 -0.00002 -0.00048 0.00001 62 2S 0.00025 -0.00404 -0.00034 -0.00663 -0.00022 63 6 H 1S -0.00228 0.03690 0.00793 0.03847 0.05132 64 2S -0.00156 0.01879 0.00288 0.02290 0.03190 65 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 -0.00004 0.00100 0.00005 -0.00012 67 8 O 1S 0.00000 -0.00007 -0.00042 -0.00007 -0.00030 68 2S -0.00002 0.00123 0.00793 0.00179 0.00540 69 2PX -0.00023 0.01163 0.01476 0.00636 0.01937 70 2PY -0.00005 0.00233 0.00492 -0.00073 0.00370 71 2PZ -0.00013 0.00563 0.02017 0.00360 0.00309 72 3S 0.00037 -0.00405 0.00779 -0.00266 0.00958 73 3PX -0.00205 0.02126 0.00872 0.00721 0.01956 74 3PY -0.00079 0.00710 0.00656 -0.00457 0.00651 75 3PZ -0.00126 0.01050 0.02145 0.00438 -0.00174 76 4XX -0.00006 0.00082 -0.00105 0.00079 0.00109 77 4YY -0.00001 0.00013 0.00047 0.00000 0.00044 78 4ZZ -0.00002 0.00024 0.00134 0.00049 -0.00045 79 4XY -0.00007 0.00081 0.00074 0.00022 0.00104 80 4XZ -0.00016 0.00148 0.00068 0.00040 0.00008 81 4YZ -0.00005 0.00045 0.00134 0.00014 0.00010 82 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 83 2S -0.00001 0.00018 0.00049 0.00002 0.00017 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00000 -0.00001 0.00000 -0.00002 86 2PX 0.00000 -0.00001 -0.00002 0.00000 0.00000 87 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 2PZ 0.00000 -0.00002 -0.00004 0.00000 -0.00004 89 3S 0.00000 -0.00003 0.00036 0.00000 0.00011 90 3PX 0.00002 -0.00059 -0.00051 0.00000 -0.00063 91 3PY 0.00000 0.00000 0.00000 0.00009 0.00000 92 3PZ 0.00002 -0.00062 -0.00031 0.00000 -0.00069 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 0.00001 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 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 -0.00009 0.00003 -0.00002 0.00007 101 2PX 0.00000 0.00020 0.00187 0.00023 0.00122 102 2PY 0.00000 0.00001 0.00027 -0.00001 0.00012 103 2PZ 0.00000 0.00006 0.00077 0.00006 0.00032 104 3S 0.00005 -0.00009 -0.00022 -0.00008 0.00158 105 3PX 0.00000 0.00035 0.00670 0.00092 0.00586 106 3PY -0.00001 0.00032 0.00053 0.00001 0.00076 107 3PZ -0.00008 0.00091 0.00443 0.00082 0.00060 108 4XX 0.00000 0.00002 0.00007 0.00002 0.00005 109 4YY 0.00000 0.00000 -0.00001 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00001 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00002 0.00000 0.00001 112 4XZ 0.00000 0.00003 0.00011 0.00002 0.00002 113 4YZ 0.00000 0.00000 0.00001 0.00000 0.00001 114 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 -0.00003 0.00000 0.00000 116 2PX 0.00000 -0.00002 -0.00009 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 -0.00057 -0.00076 -0.00002 -0.00003 120 3PX 0.00005 -0.00086 -0.00005 -0.00002 -0.00005 121 3PY 0.00000 0.00001 0.00006 -0.00012 0.00000 122 3PZ 0.00000 -0.00002 -0.00003 0.00000 -0.00015 123 4XX 0.00000 0.00000 0.00002 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 -0.00001 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 -0.00005 -0.00069 0.00006 -0.00003 135 3PX 0.00000 0.00000 -0.00016 -0.00001 0.00000 136 3PY 0.00000 0.00001 0.00000 -0.00002 0.00001 137 3PZ 0.00000 0.00001 0.00003 0.00000 -0.00005 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 -0.00003 0.00006 -0.00004 -0.00007 150 3PX 0.00001 -0.00021 -0.00027 -0.00041 -0.00043 151 3PY 0.00000 -0.00001 0.00037 0.00007 0.00017 152 3PZ 0.00000 -0.00009 0.00001 -0.00034 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 -0.00001 0.00000 -0.00002 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 -0.00001 0.00000 -0.00001 164 3S 0.00000 0.00000 -0.00010 -0.00008 -0.00011 165 3PX 0.00001 -0.00029 -0.00048 0.00014 -0.00123 166 3PY 0.00000 -0.00003 -0.00026 0.00002 -0.00039 167 3PZ 0.00001 -0.00023 -0.00085 0.00001 -0.00083 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 0.00001 0.00003 0.00000 0.00005 176 17 H 1S 0.00000 0.00000 -0.00001 -0.00001 0.00000 177 2S 0.00001 -0.00014 -0.00057 -0.00047 -0.00021 178 18 H 1S 0.00000 0.00000 -0.00001 0.00000 0.00000 179 2S 0.00000 -0.00009 -0.00046 0.00000 0.00016 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00002 0.00008 -0.00003 -0.00002 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00001 0.00000 0.00004 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00002 0.00011 0.00000 0.00001 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 0.29973 22 3PX 0.00000 0.12473 23 3PY 0.00000 0.00000 0.05430 24 3PZ 0.00000 0.00000 0.00000 0.08174 25 4XX -0.00569 0.00000 0.00000 0.00000 0.00257 26 4YY -0.00013 0.00000 0.00000 0.00000 -0.00022 27 4ZZ -0.00315 0.00000 0.00000 0.00000 -0.00017 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 0.00007 0.00024 0.00007 -0.00002 0.00000 32 2S -0.00077 -0.00343 -0.00115 0.00097 0.00004 33 2PX -0.00349 -0.00246 -0.00025 -0.00079 0.00014 34 2PY 0.00049 -0.00178 -0.00087 -0.00083 0.00003 35 2PZ -0.00159 -0.00220 0.00017 0.00003 0.00005 36 3S 0.00114 -0.00718 -0.00271 0.00296 0.00005 37 3PX -0.00871 0.00157 0.00029 -0.00415 0.00006 38 3PY 0.00058 -0.00176 0.00005 -0.00046 -0.00002 39 3PZ -0.00128 -0.00325 -0.00026 -0.00045 0.00043 40 4XX -0.00025 0.00049 0.00008 0.00008 -0.00001 41 4YY -0.00017 -0.00061 0.00004 -0.00019 0.00000 42 4ZZ 0.00033 0.00059 -0.00007 0.00004 0.00000 43 4XY 0.00002 -0.00015 -0.00008 -0.00007 0.00000 44 4XZ 0.00006 0.00008 -0.00003 0.00001 0.00002 45 4YZ 0.00002 0.00010 -0.00002 0.00000 0.00001 46 4 O 1S -0.00013 0.00000 -0.00014 -0.00001 0.00000 47 2S 0.00200 0.00009 0.00147 0.00034 0.00000 48 2PX -0.00074 0.00019 -0.00020 -0.00007 0.00000 49 2PY -0.00427 0.00105 -0.00423 0.00087 0.00000 50 2PZ 0.00027 -0.00124 -0.00151 -0.00029 0.00000 51 3S 0.01262 -0.00127 0.00962 -0.00039 -0.00004 52 3PX -0.00356 -0.00142 0.00009 -0.00098 -0.00006 53 3PY -0.01640 0.00199 -0.01059 0.00303 -0.00001 54 3PZ 0.00197 -0.00482 -0.00484 -0.00248 0.00005 55 4XX 0.00004 -0.00009 -0.00019 0.00016 0.00000 56 4YY -0.00062 0.00005 -0.00056 0.00015 0.00000 57 4ZZ -0.00011 0.00011 -0.00017 -0.00006 0.00000 58 4XY 0.00000 0.00001 0.00010 0.00000 0.00000 59 4XZ 0.00000 0.00000 -0.00002 -0.00001 0.00000 60 4YZ -0.00001 0.00000 -0.00001 0.00000 0.00000 61 5 H 1S -0.00438 -0.00015 -0.00396 0.00001 0.00000 62 2S -0.01600 -0.00044 -0.00968 0.00022 0.00021 63 6 H 1S 0.05109 0.00330 0.01136 0.02349 -0.00138 64 2S 0.03020 -0.00079 0.00772 0.02377 -0.00261 65 7 H 1S -0.00005 0.00032 0.00003 0.00001 0.00000 66 2S -0.00222 0.00603 0.00084 -0.00068 -0.00023 67 8 O 1S 0.00133 0.00029 -0.00027 0.00044 -0.00004 68 2S -0.02021 -0.00428 0.00287 -0.00588 0.00111 69 2PX 0.00349 0.00051 0.00069 0.00347 -0.00088 70 2PY 0.00289 -0.00129 0.00461 0.00029 0.00079 71 2PZ 0.00684 0.00776 0.00155 -0.00120 0.00394 72 3S -0.06296 -0.01155 0.00244 -0.01076 0.00123 73 3PX 0.00095 -0.00193 -0.00011 0.00196 -0.00176 74 3PY 0.00839 -0.00310 0.01104 0.00114 0.00111 75 3PZ 0.01610 0.00886 0.00298 -0.00697 0.00637 76 4XX 0.00153 -0.00127 0.00052 0.00104 -0.00004 77 4YY 0.00058 -0.00036 -0.00023 0.00029 0.00008 78 4ZZ 0.00101 0.00207 0.00016 -0.00055 0.00009 79 4XY 0.00017 0.00001 0.00020 0.00006 -0.00006 80 4XZ 0.00042 0.00000 0.00004 0.00005 -0.00001 81 4YZ 0.00017 0.00020 0.00012 0.00001 0.00018 82 9 H 1S 0.00021 0.00022 -0.00007 0.00011 0.00000 83 2S 0.00178 0.00190 -0.00023 0.00034 0.00004 84 10 C 1S 0.00001 0.00002 0.00000 0.00004 0.00000 85 2S 0.00008 -0.00065 0.00000 -0.00032 0.00000 86 2PX -0.00033 -0.00035 0.00000 -0.00045 0.00000 87 2PY 0.00000 0.00000 -0.00004 0.00000 0.00000 88 2PZ 0.00017 -0.00157 -0.00001 0.00009 0.00000 89 3S 0.00047 0.00174 0.00000 0.00066 -0.00004 90 3PX -0.00225 -0.00124 0.00000 -0.00274 0.00004 91 3PY 0.00000 0.00000 -0.00020 0.00000 0.00000 92 3PZ -0.00168 -0.00234 -0.00001 -0.00122 -0.00005 93 4XX 0.00000 0.00000 0.00000 -0.00003 0.00000 94 4YY -0.00002 -0.00003 0.00000 -0.00004 0.00000 95 4ZZ 0.00006 0.00014 0.00000 0.00012 0.00000 96 4XY 0.00000 0.00000 0.00002 0.00000 0.00000 97 4XZ 0.00002 0.00005 0.00000 0.00010 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00014 0.00009 0.00000 0.00002 0.00000 100 2S -0.00004 -0.00126 -0.00033 0.00072 0.00003 101 2PX 0.00261 0.00615 0.00210 0.00580 0.00008 102 2PY 0.00094 0.00128 0.00017 0.00057 0.00002 103 2PZ -0.00004 0.00484 0.00095 0.00028 0.00007 104 3S 0.00281 -0.00116 -0.00008 0.00366 0.00050 105 3PX 0.00467 0.00921 0.00427 0.01035 0.00053 106 3PY 0.00185 0.00120 -0.00005 0.00121 0.00019 107 3PZ 0.00257 0.00994 0.00215 -0.00078 0.00046 108 4XX 0.00019 0.00050 0.00013 0.00022 0.00000 109 4YY -0.00014 -0.00024 0.00000 -0.00005 0.00000 110 4ZZ 0.00001 0.00010 -0.00004 -0.00002 0.00000 111 4XY 0.00002 0.00004 0.00000 0.00004 0.00000 112 4XZ 0.00013 0.00025 0.00005 0.00003 0.00000 113 4YZ 0.00000 0.00006 -0.00001 0.00000 0.00000 114 12 C 1S 0.00001 0.00004 0.00000 0.00000 0.00000 115 2S -0.00039 -0.00054 -0.00001 -0.00004 0.00000 116 2PX -0.00103 -0.00093 -0.00007 -0.00012 0.00001 117 2PY 0.00001 -0.00001 -0.00005 0.00000 0.00000 118 2PZ -0.00005 -0.00001 0.00000 -0.00009 0.00000 119 3S -0.00286 -0.00326 -0.00007 -0.00021 0.00002 120 3PX -0.00331 0.00013 -0.00011 -0.00021 0.00011 121 3PY 0.00010 0.00014 -0.00044 0.00001 0.00000 122 3PZ -0.00013 -0.00007 0.00000 -0.00061 0.00001 123 4XX 0.00014 0.00044 0.00001 0.00003 0.00000 124 4YY -0.00001 -0.00009 0.00000 0.00000 0.00000 125 4ZZ -0.00003 -0.00011 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 -0.00001 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 0.00001 0.00000 0.00000 0.00000 130 2S -0.00006 -0.00045 0.00004 -0.00001 0.00000 131 2PX -0.00015 -0.00059 -0.00006 -0.00002 0.00000 132 2PY -0.00004 -0.00004 -0.00001 -0.00001 0.00000 133 2PZ 0.00001 0.00003 0.00000 -0.00002 0.00000 134 3S -0.00107 -0.00499 0.00095 -0.00021 -0.00001 135 3PX -0.00024 -0.00061 -0.00019 -0.00001 0.00002 136 3PY -0.00032 0.00039 -0.00007 -0.00001 0.00000 137 3PZ 0.00008 0.00016 -0.00002 -0.00026 0.00000 138 4XX 0.00001 0.00003 0.00000 0.00000 0.00000 139 4YY 0.00000 -0.00001 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 -0.00001 0.00000 0.00000 141 4XY 0.00000 0.00001 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 0.00001 -0.00001 0.00000 0.00000 145 2S -0.00024 -0.00037 -0.00005 -0.00029 0.00000 146 2PX -0.00001 -0.00015 0.00030 -0.00014 0.00000 147 2PY -0.00053 -0.00023 -0.00029 -0.00013 0.00000 148 2PZ 0.00006 -0.00034 0.00025 0.00002 0.00000 149 3S -0.00063 0.00011 -0.00066 -0.00048 0.00001 150 3PX -0.00028 -0.00120 0.00185 -0.00121 -0.00002 151 3PY -0.00030 0.00116 -0.00036 0.00043 0.00003 152 3PZ 0.00002 -0.00058 0.00013 -0.00008 0.00000 153 4XX 0.00000 0.00001 0.00000 0.00003 0.00000 154 4YY 0.00002 -0.00002 0.00003 -0.00001 0.00000 155 4ZZ 0.00000 0.00004 -0.00003 0.00001 0.00000 156 4XY 0.00000 0.00001 0.00000 0.00001 0.00000 157 4XZ 0.00001 0.00005 -0.00003 0.00001 0.00000 158 4YZ 0.00001 0.00001 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S -0.00015 0.00000 -0.00010 -0.00019 0.00000 161 2PX -0.00017 -0.00053 0.00037 -0.00080 0.00000 162 2PY -0.00004 -0.00022 0.00003 -0.00008 0.00000 163 2PZ -0.00040 -0.00056 0.00002 -0.00077 0.00000 164 3S -0.00079 -0.00069 -0.00029 -0.00045 0.00000 165 3PX -0.00156 -0.00149 0.00180 -0.00467 -0.00001 166 3PY -0.00041 -0.00149 0.00008 -0.00119 -0.00001 167 3PZ -0.00183 -0.00410 0.00119 -0.00299 -0.00002 168 4XX 0.00000 0.00000 0.00000 0.00001 0.00000 169 4YY 0.00001 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00001 -0.00001 0.00001 0.00000 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 0.00001 -0.00001 0.00000 0.00001 0.00000 174 16 H 1S -0.00001 0.00003 0.00001 -0.00004 0.00000 175 2S -0.00029 0.00045 0.00014 -0.00034 0.00000 176 17 H 1S -0.00045 -0.00066 0.00017 -0.00012 0.00000 177 2S -0.00291 -0.00300 0.00034 -0.00089 -0.00003 178 18 H 1S -0.00045 -0.00048 -0.00014 0.00009 0.00000 179 2S -0.00210 -0.00172 -0.00058 0.00049 -0.00004 180 19 H 1S 0.00002 0.00001 -0.00003 0.00000 0.00000 181 2S 0.00031 0.00085 -0.00059 -0.00014 0.00000 182 20 H 1S 0.00001 0.00000 0.00003 0.00000 0.00000 183 2S 0.00040 0.00007 0.00037 0.00002 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00001 0.00000 185 2S 0.00012 -0.00010 0.00017 0.00006 0.00000 186 22 H 1S 0.00001 0.00003 0.00000 0.00000 0.00000 187 2S 0.00046 0.00124 0.00011 0.00012 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00004 0.00029 0.00001 0.00002 0.00000 26 27 28 29 30 26 4YY 0.00122 27 4ZZ -0.00012 0.00177 28 4XY 0.00000 0.00000 0.00157 29 4XZ 0.00000 0.00000 0.00000 0.00159 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00181 31 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 32 2S -0.00001 0.00001 0.00002 0.00001 0.00002 33 2PX -0.00003 0.00003 0.00007 0.00008 0.00005 34 2PY 0.00000 0.00001 0.00000 -0.00001 0.00000 35 2PZ -0.00001 0.00001 0.00002 0.00002 0.00001 36 3S -0.00010 0.00006 0.00006 -0.00004 0.00007 37 3PX -0.00021 0.00050 0.00013 0.00005 0.00004 38 3PY 0.00003 -0.00001 -0.00008 -0.00009 -0.00004 39 3PZ -0.00006 -0.00011 0.00001 0.00000 0.00000 40 4XX 0.00000 0.00001 0.00001 0.00002 0.00000 41 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 42 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 43 4XY 0.00000 0.00000 0.00000 0.00001 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 0.00000 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 0.00001 0.00000 0.00001 0.00000 0.00000 51 3S 0.00013 -0.00001 -0.00002 -0.00004 0.00002 52 3PX 0.00010 0.00010 0.00006 0.00000 0.00008 53 3PY 0.00038 -0.00004 0.00008 -0.00004 0.00013 54 3PZ 0.00007 -0.00003 0.00006 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 0.00001 0.00000 0.00001 0.00000 0.00000 61 5 H 1S 0.00001 0.00001 0.00001 0.00000 0.00004 62 2S -0.00032 0.00033 0.00001 0.00001 0.00022 63 6 H 1S -0.00041 0.00209 0.00064 0.00044 0.00359 64 2S -0.00056 0.00337 0.00014 0.00008 0.00064 65 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 0.00009 0.00002 0.00001 -0.00001 67 8 O 1S 0.00000 -0.00001 -0.00005 -0.00009 -0.00003 68 2S -0.00019 0.00021 0.00087 0.00166 0.00057 69 2PX -0.00052 0.00162 0.00035 0.00279 0.00102 70 2PY 0.00017 0.00032 0.00028 0.00123 0.00016 71 2PZ -0.00025 -0.00069 0.00138 0.00027 0.00003 72 3S -0.00005 0.00061 0.00101 0.00119 0.00077 73 3PX -0.00162 0.00391 -0.00001 0.00080 0.00057 74 3PY -0.00053 0.00066 0.00077 0.00085 0.00048 75 3PZ -0.00071 -0.00229 0.00089 -0.00001 0.00000 76 4XX -0.00001 0.00005 0.00002 0.00001 -0.00002 77 4YY -0.00004 0.00003 0.00002 0.00010 0.00001 78 4ZZ 0.00000 -0.00003 0.00002 -0.00002 -0.00001 79 4XY 0.00000 0.00004 0.00000 0.00011 -0.00003 80 4XZ -0.00003 0.00000 0.00003 0.00007 0.00000 81 4YZ 0.00000 -0.00003 -0.00002 0.00002 0.00000 82 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 83 2S 0.00001 -0.00007 -0.00001 -0.00002 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 0.00001 0.00000 87 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00000 0.00000 0.00001 0.00000 89 3S 0.00000 0.00007 0.00000 0.00000 0.00000 90 3PX -0.00003 0.00008 0.00000 0.00008 0.00000 91 3PY 0.00000 0.00000 -0.00001 0.00000 -0.00002 92 3PZ -0.00002 0.00014 0.00000 0.00008 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 0.00003 0.00001 101 2PX -0.00001 -0.00002 0.00002 0.00011 0.00001 102 2PY 0.00000 0.00000 0.00000 0.00001 0.00000 103 2PZ 0.00000 -0.00001 0.00001 0.00003 0.00000 104 3S -0.00008 -0.00023 -0.00001 0.00008 0.00002 105 3PX -0.00013 -0.00020 0.00005 0.00028 0.00007 106 3PY -0.00002 -0.00011 0.00004 0.00004 0.00000 107 3PZ -0.00009 -0.00011 0.00003 0.00003 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 0.00000 0.00001 0.00000 120 3PX 0.00001 -0.00002 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 0.00001 -0.00001 0.00000 0.00000 135 3PX -0.00001 0.00000 0.00000 0.00000 0.00000 136 3PY 0.00000 0.00000 0.00001 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00001 0.00000 0.00000 0.00000 0.00001 150 3PX 0.00001 0.00001 0.00006 -0.00002 0.00006 151 3PY 0.00001 -0.00002 0.00002 0.00001 0.00001 152 3PZ 0.00000 0.00000 0.00004 0.00000 0.00001 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 0.00001 0.00000 -0.00001 0.00000 165 3PX 0.00000 0.00006 -0.00001 0.00000 -0.00001 166 3PY 0.00000 0.00001 0.00000 -0.00001 0.00000 167 3PZ -0.00001 0.00005 0.00000 -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 0.00000 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 0.00000 0.00002 0.00000 0.00002 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 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 2.04988 32 2S -0.01438 0.34507 33 2PX 0.00000 0.00000 0.38992 34 2PY 0.00000 0.00000 0.00000 0.29478 35 2PZ 0.00000 0.00000 0.00000 0.00000 0.46072 36 3S -0.02752 0.21127 0.00000 0.00000 0.00000 37 3PX 0.00000 0.00000 0.07401 0.00000 0.00000 38 3PY 0.00000 0.00000 0.00000 0.04064 0.00000 39 3PZ 0.00000 0.00000 0.00000 0.00000 0.09175 40 4XX -0.00134 -0.00129 0.00000 0.00000 0.00000 41 4YY -0.00104 -0.00714 0.00000 0.00000 0.00000 42 4ZZ -0.00144 0.00069 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 -0.00002 -0.00021 -0.00042 -0.00003 47 2S -0.00001 0.00026 0.00431 0.00845 0.00060 48 2PX -0.00009 0.00486 0.00280 0.01806 0.00094 49 2PY -0.00022 0.01278 0.01955 0.02363 0.00265 50 2PZ -0.00001 0.00044 0.00092 0.00241 -0.00034 51 3S 0.00079 -0.01391 0.00530 0.00750 0.00095 52 3PX -0.00067 0.00714 -0.00185 0.01886 0.00035 53 3PY -0.00307 0.03007 0.02629 0.01948 0.00330 54 3PZ -0.00002 -0.00002 0.00031 0.00196 -0.00370 55 4XX -0.00001 0.00015 -0.00040 -0.00013 0.00004 56 4YY -0.00016 0.00282 0.00333 0.00188 0.00040 57 4ZZ 0.00000 -0.00022 -0.00025 -0.00030 0.00005 58 4XY -0.00013 0.00151 0.00008 0.00119 0.00022 59 4XZ 0.00000 0.00003 -0.00002 -0.00003 0.00046 60 4YZ -0.00001 0.00013 0.00010 -0.00003 0.00064 61 5 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 0.00019 0.00031 0.00014 0.00020 63 6 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 64 2S 0.00000 0.00019 0.00031 0.00014 0.00020 65 7 H 1S -0.00180 0.03145 0.06349 0.00000 0.03566 66 2S -0.00075 0.01103 0.03863 0.00000 0.02491 67 8 O 1S 0.00000 -0.00002 -0.00021 -0.00042 -0.00003 68 2S -0.00001 0.00026 0.00431 0.00845 0.00060 69 2PX -0.00009 0.00486 0.00280 0.01806 0.00094 70 2PY -0.00022 0.01278 0.01955 0.02363 0.00265 71 2PZ -0.00001 0.00044 0.00092 0.00241 -0.00034 72 3S 0.00079 -0.01391 0.00530 0.00750 0.00095 73 3PX -0.00067 0.00714 -0.00185 0.01886 0.00035 74 3PY -0.00307 0.03008 0.02629 0.01949 0.00330 75 3PZ -0.00002 -0.00002 0.00031 0.00196 -0.00369 76 4XX -0.00001 0.00015 -0.00040 -0.00013 0.00004 77 4YY -0.00016 0.00282 0.00333 0.00188 0.00040 78 4ZZ 0.00000 -0.00022 -0.00025 -0.00030 0.00005 79 4XY -0.00013 0.00151 0.00008 0.00119 0.00022 80 4XZ 0.00000 0.00003 -0.00002 -0.00003 0.00046 81 4YZ -0.00001 0.00013 0.00010 -0.00003 0.00064 82 9 H 1S -0.00195 0.03454 0.00450 0.00000 0.09811 83 2S -0.00120 0.01835 0.00137 0.00000 0.05859 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 -0.00001 90 3PX 0.00000 -0.00007 -0.00005 0.00001 -0.00001 91 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 92 3PZ 0.00000 -0.00001 -0.00001 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 0.00001 0.00001 0.00000 105 3PX 0.00000 0.00001 0.00002 0.00003 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 0.00001 0.00001 0.00000 150 3PX 0.00000 0.00001 0.00002 0.00003 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 -0.00001 165 3PX 0.00000 -0.00007 -0.00005 0.00001 -0.00001 166 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PZ 0.00000 -0.00001 -0.00001 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 0.00000 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 36 37 38 39 40 36 3S 0.23162 37 3PX 0.00000 0.05548 38 3PY 0.00000 0.00000 0.02777 39 3PZ 0.00000 0.00000 0.00000 0.06559 40 4XX 0.00000 0.00000 0.00000 0.00000 0.00243 41 4YY -0.00789 0.00000 0.00000 0.00000 -0.00038 42 4ZZ 0.00298 0.00000 0.00000 0.00000 -0.00021 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 0.00108 0.00011 -0.00016 0.00004 0.00001 47 2S -0.01635 -0.00140 0.00080 -0.00043 -0.00014 48 2PX 0.00313 -0.00042 0.00862 0.00130 -0.00045 49 2PY 0.01024 0.00691 0.00069 0.00105 0.00103 50 2PZ 0.00013 0.00126 0.00081 0.00482 0.00029 51 3S -0.06101 -0.00428 -0.00380 -0.00150 -0.00103 52 3PX 0.00328 -0.00003 0.01216 0.00206 -0.00174 53 3PY 0.02318 0.01058 -0.00008 0.00148 0.00219 54 3PZ -0.00068 0.00206 0.00064 0.01139 0.00082 55 4XX 0.00066 -0.00054 0.00009 -0.00001 0.00001 56 4YY 0.00293 0.00137 0.00025 0.00022 0.00016 57 4ZZ -0.00014 -0.00020 -0.00002 -0.00005 -0.00004 58 4XY 0.00051 0.00003 0.00008 0.00007 -0.00006 59 4XZ -0.00001 0.00001 -0.00003 0.00021 0.00000 60 4YZ 0.00005 0.00004 0.00001 0.00047 0.00000 61 5 H 1S 0.00014 0.00027 0.00014 -0.00003 0.00000 62 2S 0.00130 0.00224 0.00069 -0.00005 0.00003 63 6 H 1S 0.00014 0.00027 0.00014 -0.00003 0.00000 64 2S 0.00130 0.00224 0.00069 -0.00005 0.00003 65 7 H 1S 0.04236 0.02814 0.00000 0.01372 0.00400 66 2S 0.02201 0.01757 0.00000 0.00989 0.00634 67 8 O 1S 0.00108 0.00011 -0.00016 0.00004 0.00001 68 2S -0.01635 -0.00140 0.00080 -0.00043 -0.00014 69 2PX 0.00313 -0.00042 0.00862 0.00130 -0.00045 70 2PY 0.01024 0.00691 0.00069 0.00105 0.00103 71 2PZ 0.00013 0.00126 0.00081 0.00482 0.00029 72 3S -0.06101 -0.00428 -0.00380 -0.00150 -0.00103 73 3PX 0.00327 -0.00003 0.01216 0.00206 -0.00174 74 3PY 0.02319 0.01058 -0.00008 0.00148 0.00219 75 3PZ -0.00068 0.00206 0.00064 0.01139 0.00082 76 4XX 0.00066 -0.00054 0.00009 -0.00001 0.00001 77 4YY 0.00293 0.00137 0.00025 0.00022 0.00016 78 4ZZ -0.00014 -0.00020 -0.00002 -0.00005 -0.00004 79 4XY 0.00051 0.00003 0.00008 0.00007 -0.00006 80 4XZ -0.00001 0.00001 -0.00003 0.00021 0.00000 81 4YZ 0.00005 0.00004 0.00001 0.00047 0.00000 82 9 H 1S 0.03952 0.00464 0.00000 0.04427 -0.00138 83 2S 0.02207 0.00351 0.00000 0.03579 -0.00403 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 -0.00002 0.00023 0.00003 -0.00002 0.00000 87 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00003 0.00000 0.00000 0.00000 89 3S 0.00002 0.00002 0.00003 0.00003 0.00000 90 3PX -0.00040 0.00174 0.00024 0.00002 0.00001 91 3PY -0.00002 0.00003 -0.00004 0.00002 0.00000 92 3PZ -0.00009 0.00031 0.00005 0.00000 0.00001 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 0.00001 0.00000 0.00000 0.00000 101 2PX 0.00002 0.00001 0.00005 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 0.00004 0.00000 0.00003 0.00000 0.00000 105 3PX 0.00019 0.00011 0.00052 -0.00001 -0.00001 106 3PY 0.00001 -0.00007 0.00000 0.00000 0.00000 107 3PZ 0.00001 0.00000 0.00001 0.00006 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 0.00002 0.00000 0.00000 0.00000 120 3PX -0.00001 0.00000 0.00000 0.00000 0.00000 121 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 3PZ 0.00000 0.00001 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 0.00002 0.00000 0.00000 0.00000 135 3PX -0.00001 0.00000 0.00000 0.00000 0.00000 136 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00001 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 0.00001 0.00000 0.00000 0.00000 146 2PX 0.00002 0.00001 0.00005 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 0.00004 0.00000 0.00003 0.00000 0.00000 150 3PX 0.00019 0.00011 0.00052 -0.00001 -0.00001 151 3PY 0.00001 -0.00007 0.00000 0.00000 0.00000 152 3PZ 0.00001 0.00000 0.00001 0.00006 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX -0.00002 0.00023 0.00003 -0.00002 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00003 0.00000 0.00000 0.00000 164 3S 0.00002 0.00002 0.00003 0.00003 0.00000 165 3PX -0.00040 0.00174 0.00024 0.00002 0.00001 166 3PY -0.00002 0.00003 -0.00004 0.00002 0.00000 167 3PZ -0.00009 0.00031 0.00005 0.00000 0.00001 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00001 0.00000 0.00000 0.00000 175 2S -0.00001 0.00008 0.00005 -0.00001 0.00000 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S -0.00001 -0.00002 -0.00003 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S -0.00001 -0.00002 -0.00003 0.00000 0.00000 184 21 H 1S 0.00000 0.00001 0.00000 0.00000 0.00000 185 2S -0.00001 0.00008 0.00005 -0.00001 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 41 42 43 44 45 41 4YY 0.00355 42 4ZZ -0.00054 0.00259 43 4XY 0.00000 0.00000 0.00351 44 4XZ 0.00000 0.00000 0.00000 0.00234 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00183 46 4 O 1S -0.00008 0.00000 -0.00009 0.00000 -0.00001 47 2S 0.00203 -0.00023 0.00192 0.00007 0.00021 48 2PX 0.00292 -0.00012 0.00030 0.00014 0.00065 49 2PY -0.00052 -0.00029 0.00429 0.00043 0.00050 50 2PZ 0.00023 0.00016 0.00063 0.00060 0.00100 51 3S 0.00608 -0.00190 0.00162 -0.00005 0.00003 52 3PX 0.00420 -0.00015 0.00001 -0.00003 0.00046 53 3PY -0.00090 -0.00117 0.00175 0.00027 0.00018 54 3PZ 0.00017 -0.00027 0.00038 0.00127 0.00210 55 4XX -0.00014 0.00002 0.00000 -0.00001 -0.00002 56 4YY -0.00006 -0.00006 0.00028 0.00007 0.00003 57 4ZZ -0.00004 0.00004 -0.00007 -0.00001 -0.00001 58 4XY 0.00019 -0.00002 0.00001 0.00000 0.00005 59 4XZ -0.00003 -0.00001 0.00001 -0.00001 0.00000 60 4YZ 0.00002 0.00001 0.00001 0.00006 0.00011 61 5 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 -0.00003 0.00000 -0.00002 -0.00001 63 6 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 64 2S 0.00000 -0.00003 0.00000 -0.00002 -0.00001 65 7 H 1S -0.00149 -0.00044 0.00000 0.00466 0.00000 66 2S -0.00354 -0.00223 0.00000 0.00131 0.00000 67 8 O 1S -0.00008 0.00000 -0.00009 0.00000 -0.00001 68 2S 0.00203 -0.00023 0.00192 0.00007 0.00021 69 2PX 0.00292 -0.00012 0.00030 0.00014 0.00065 70 2PY -0.00052 -0.00029 0.00429 0.00043 0.00050 71 2PZ 0.00023 0.00016 0.00063 0.00060 0.00100 72 3S 0.00608 -0.00190 0.00162 -0.00005 0.00003 73 3PX 0.00420 -0.00015 0.00001 -0.00003 0.00046 74 3PY -0.00090 -0.00117 0.00175 0.00027 0.00018 75 3PZ 0.00017 -0.00027 0.00038 0.00127 0.00210 76 4XX -0.00014 0.00002 0.00000 -0.00001 -0.00002 77 4YY -0.00006 -0.00006 0.00028 0.00007 0.00003 78 4ZZ -0.00004 0.00004 -0.00007 -0.00001 -0.00001 79 4XY 0.00019 -0.00002 0.00001 0.00000 0.00005 80 4XZ -0.00003 -0.00001 0.00001 -0.00001 0.00000 81 4YZ 0.00002 0.00001 0.00001 0.00007 0.00011 82 9 H 1S -0.00137 0.00799 0.00000 0.00138 0.00000 83 2S -0.00220 0.00714 0.00000 0.00041 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 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 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 46 47 48 49 50 46 4 O 1S 2.07561 47 2S -0.04155 0.50274 48 2PX 0.00000 0.00000 0.61892 49 2PY 0.00000 0.00000 0.00000 0.66749 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.74389 51 3S -0.04121 0.45391 0.00000 0.00000 0.00000 52 3PX 0.00000 0.00000 0.18662 0.00000 0.00000 53 3PY 0.00000 0.00000 0.00000 0.21362 0.00000 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.24767 55 4XX -0.00054 -0.00044 0.00000 0.00000 0.00000 56 4YY -0.00042 -0.00460 0.00000 0.00000 0.00000 57 4ZZ -0.00043 -0.00427 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 -0.00005 -0.00002 -0.00001 -0.00014 62 2S 0.00013 -0.00188 -0.00014 -0.00015 -0.00395 63 6 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 64 2S 0.00000 0.00002 0.00009 0.00014 -0.00001 65 7 H 1S 0.00000 -0.00004 -0.00022 -0.00003 -0.00004 66 2S 0.00001 -0.00042 -0.00591 -0.00110 -0.00125 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 -0.00010 0.00000 71 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 72 3S -0.00001 0.00034 0.00000 -0.00120 0.00000 73 3PX 0.00000 0.00000 0.00018 0.00000 0.00000 74 3PY 0.00003 -0.00069 0.00000 -0.00639 0.00000 75 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00009 76 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 77 4YY 0.00000 0.00000 0.00000 0.00002 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 -0.00006 0.00000 -0.00004 -0.00019 83 2S 0.00008 -0.00109 0.00071 -0.00113 -0.00457 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 0.00001 0.00001 -0.00001 90 3PX 0.00000 0.00001 0.00006 0.00000 0.00007 91 3PY 0.00000 0.00000 0.00001 0.00000 0.00000 92 3PZ 0.00000 0.00001 0.00004 0.00001 0.00001 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 0.00001 0.00001 0.00001 0.00000 106 3PY 0.00000 -0.00001 -0.00002 0.00000 0.00000 107 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 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 -0.00001 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 -0.00001 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 0.00003 -0.00041 -0.00001 -0.00010 150 3PX 0.00001 -0.00020 -0.00134 0.00003 -0.00016 151 3PY 0.00000 0.00002 -0.00007 -0.00003 -0.00002 152 3PZ 0.00000 -0.00005 -0.00013 0.00000 0.00014 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 -0.00004 0.00012 0.00000 0.00015 165 3PX 0.00000 -0.00009 -0.00009 -0.00003 0.00008 166 3PY 0.00000 0.00000 -0.00001 -0.00001 -0.00003 167 3PZ 0.00000 -0.00004 0.00012 -0.00001 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 0.00000 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 0.00000 0.00000 0.00001 0.00000 0.00000 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00004 0.00000 0.00004 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00003 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 0.76069 52 3PX 0.00000 0.23556 53 3PY 0.00000 0.00000 0.27450 54 3PZ 0.00000 0.00000 0.00000 0.33562 55 4XX -0.00047 0.00000 0.00000 0.00000 0.00074 56 4YY -0.01246 0.00000 0.00000 0.00000 -0.00009 57 4ZZ -0.00755 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 -0.00231 0.00014 -0.00014 -0.00334 0.00002 62 2S -0.01051 0.00252 -0.00045 -0.01531 0.00006 63 6 H 1S 0.00001 0.00002 0.00003 0.00001 0.00000 64 2S -0.00002 0.00085 0.00113 -0.00016 0.00000 65 7 H 1S -0.00132 -0.00548 -0.00051 -0.00094 0.00008 66 2S 0.00071 -0.02470 -0.00360 -0.00542 0.00050 67 8 O 1S -0.00001 0.00000 0.00003 0.00000 0.00000 68 2S 0.00034 0.00000 -0.00069 0.00000 0.00000 69 2PX 0.00000 0.00018 0.00000 0.00000 0.00000 70 2PY -0.00120 0.00000 -0.00639 0.00000 0.00000 71 2PZ 0.00000 0.00000 0.00000 -0.00009 0.00000 72 3S 0.00560 0.00000 -0.00581 0.00000 0.00000 73 3PX 0.00000 0.00196 0.00000 0.00000 0.00000 74 3PY -0.00581 0.00000 -0.02512 0.00000 -0.00010 75 3PZ 0.00000 0.00000 0.00000 -0.00046 0.00000 76 4XX 0.00000 0.00000 -0.00010 0.00000 0.00000 77 4YY -0.00029 0.00000 0.00006 0.00000 0.00000 78 4ZZ 0.00001 0.00000 -0.00002 0.00000 0.00000 79 4XY 0.00000 0.00004 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 -0.00004 0.00000 82 9 H 1S -0.00220 0.00067 -0.00045 -0.00420 0.00001 83 2S -0.00660 0.00501 -0.00346 -0.01726 -0.00005 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 0.00003 -0.00001 0.00003 0.00000 87 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00001 0.00000 0.00001 0.00000 89 3S 0.00005 0.00010 0.00009 -0.00006 0.00000 90 3PX -0.00003 0.00072 -0.00021 0.00090 -0.00002 91 3PY 0.00000 0.00007 -0.00002 0.00005 -0.00001 92 3PZ 0.00006 0.00039 0.00002 0.00010 -0.00001 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 -0.00003 -0.00007 -0.00004 0.00000 0.00000 105 3PX 0.00012 0.00007 0.00013 0.00001 0.00000 106 3PY -0.00004 -0.00023 0.00002 -0.00002 0.00000 107 3PZ 0.00000 0.00000 0.00002 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 0.00001 0.00007 0.00001 -0.00001 0.00000 120 3PX 0.00000 0.00002 0.00002 0.00000 0.00000 121 3PY 0.00001 0.00002 0.00001 0.00000 0.00000 122 3PZ 0.00000 0.00001 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 0.00001 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 0.00003 0.00014 -0.00002 -0.00003 0.00000 135 3PX 0.00013 0.00000 -0.00002 -0.00001 0.00000 136 3PY 0.00001 0.00002 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00006 0.00000 0.00005 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S -0.00007 -0.00022 0.00000 -0.00002 0.00000 146 2PX -0.00041 -0.00135 0.00001 -0.00019 0.00001 147 2PY 0.00000 -0.00002 -0.00001 0.00000 0.00000 148 2PZ 0.00000 -0.00006 0.00000 0.00006 0.00000 149 3S -0.00081 -0.00356 -0.00006 -0.00072 0.00001 150 3PX -0.00262 -0.00698 0.00021 -0.00104 0.00023 151 3PY 0.00001 -0.00044 -0.00023 -0.00009 0.00000 152 3PZ -0.00035 -0.00073 -0.00002 0.00126 0.00002 153 4XX 0.00000 0.00005 0.00000 0.00001 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 -0.00002 -0.00007 0.00000 -0.00004 0.00000 161 2PX -0.00015 -0.00015 -0.00004 -0.00005 0.00000 162 2PY 0.00000 0.00000 0.00000 -0.00001 0.00000 163 2PZ -0.00006 -0.00006 -0.00001 0.00002 0.00000 164 3S -0.00009 0.00108 0.00004 0.00114 0.00001 165 3PX -0.00141 0.00001 -0.00038 0.00081 0.00001 166 3PY -0.00002 -0.00010 -0.00009 -0.00014 0.00000 167 3PZ -0.00037 0.00099 -0.00013 0.00065 0.00001 168 4XX 0.00000 0.00001 0.00000 0.00001 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 -0.00002 0.00000 -0.00001 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 -0.00001 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S -0.00001 0.00000 0.00000 -0.00001 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 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00005 0.00014 0.00000 -0.00006 0.00000 182 20 H 1S -0.00001 -0.00001 0.00000 0.00000 0.00000 183 2S 0.00036 0.00001 0.00025 0.00003 -0.00001 184 21 H 1S 0.00000 -0.00001 0.00000 -0.00002 0.00000 185 2S 0.00019 0.00014 0.00000 0.00013 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 -0.00002 0.00000 0.00000 0.00000 56 57 58 59 60 56 4YY 0.00293 57 4ZZ -0.00010 0.00115 58 4XY 0.00000 0.00000 0.00154 59 4XZ 0.00000 0.00000 0.00000 0.00055 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00156 61 5 H 1S 0.00000 0.00005 0.00001 0.00005 0.00001 62 2S 0.00015 0.00026 0.00002 0.00006 0.00004 63 6 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 64 2S 0.00002 0.00000 0.00000 0.00000 0.00000 65 7 H 1S 0.00000 -0.00001 0.00002 0.00001 0.00000 66 2S -0.00032 -0.00031 -0.00016 0.00003 -0.00002 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 0.00002 0.00000 0.00000 0.00000 0.00000 71 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 72 3S -0.00029 0.00001 0.00000 0.00000 0.00000 73 3PX 0.00000 0.00000 0.00004 0.00000 0.00000 74 3PY 0.00006 -0.00002 0.00000 0.00000 0.00000 75 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00004 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 0.00005 0.00001 0.00006 0.00003 83 2S -0.00021 0.00068 0.00002 0.00016 -0.00006 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 0.00001 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 0.00000 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 0.00002 0.00002 0.00000 0.00000 0.00000 150 3PX -0.00004 -0.00002 0.00001 0.00002 0.00000 151 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 152 3PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 -0.00001 0.00000 0.00000 0.00000 165 3PX -0.00003 0.00003 0.00000 0.00004 0.00000 166 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PZ -0.00001 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 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 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 0.21512 62 2S 0.10465 0.14252 63 6 H 1S 0.00000 -0.00011 0.21512 64 2S -0.00011 -0.00002 0.10465 0.14252 65 7 H 1S 0.00000 0.00002 0.00000 0.00002 0.22403 66 2S 0.00002 0.00068 0.00002 0.00068 0.12519 67 8 O 1S 0.00000 0.00000 0.00000 0.00013 0.00000 68 2S 0.00000 0.00002 -0.00005 -0.00188 -0.00004 69 2PX 0.00000 0.00009 -0.00002 -0.00014 -0.00022 70 2PY 0.00000 0.00014 -0.00001 -0.00015 -0.00003 71 2PZ 0.00000 -0.00001 -0.00014 -0.00395 -0.00004 72 3S 0.00001 -0.00002 -0.00231 -0.01051 -0.00132 73 3PX 0.00002 0.00085 0.00014 0.00252 -0.00548 74 3PY 0.00003 0.00113 -0.00014 -0.00045 -0.00051 75 3PZ 0.00001 -0.00016 -0.00334 -0.01531 -0.00094 76 4XX 0.00000 0.00000 0.00002 0.00006 0.00008 77 4YY 0.00000 0.00002 0.00000 0.00015 0.00000 78 4ZZ 0.00000 0.00000 0.00005 0.00026 -0.00001 79 4XY 0.00000 0.00000 0.00001 0.00002 0.00002 80 4XZ 0.00000 0.00000 0.00005 0.00006 0.00001 81 4YZ 0.00000 0.00000 0.00001 0.00004 0.00000 82 9 H 1S 0.00000 -0.00001 0.00000 -0.00001 -0.00071 83 2S -0.00001 -0.00030 -0.00001 -0.00030 -0.01130 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 0.00002 0.00000 -0.00008 0.00000 87 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00001 0.00000 0.00002 0.00000 89 3S 0.00000 0.00014 0.00002 0.00022 0.00000 90 3PX 0.00001 0.00029 -0.00006 -0.00057 0.00000 91 3PY 0.00001 0.00024 0.00002 0.00020 0.00000 92 3PZ 0.00001 0.00042 -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 -0.00001 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 0.00003 0.00000 100 2S 0.00000 0.00001 -0.00002 -0.00061 0.00000 101 2PX 0.00000 0.00005 -0.00004 -0.00176 0.00000 102 2PY 0.00000 0.00004 0.00000 -0.00001 0.00000 103 2PZ 0.00000 0.00005 -0.00005 -0.00193 0.00000 104 3S 0.00001 0.00013 -0.00085 -0.00506 0.00000 105 3PX 0.00004 0.00076 -0.00135 -0.00782 0.00000 106 3PY -0.00001 -0.00011 -0.00001 -0.00004 0.00000 107 3PZ 0.00002 0.00058 -0.00053 -0.00548 0.00000 108 4XX 0.00000 0.00000 0.00000 -0.00003 0.00000 109 4YY 0.00000 0.00000 0.00000 -0.00001 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00011 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00001 0.00006 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 0.00002 0.00000 -0.00012 0.00000 116 2PX 0.00000 0.00000 -0.00001 0.00003 0.00000 117 2PY 0.00000 -0.00001 0.00000 0.00002 0.00000 118 2PZ 0.00000 -0.00002 0.00000 0.00017 0.00000 119 3S 0.00002 0.00065 -0.00035 -0.00165 0.00000 120 3PX -0.00002 -0.00022 -0.00019 0.00045 0.00000 121 3PY 0.00000 -0.00004 -0.00006 0.00004 0.00000 122 3PZ -0.00001 -0.00021 -0.00020 -0.00017 0.00000 123 4XX 0.00000 0.00001 0.00000 -0.00009 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00001 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00005 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00001 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 -0.00012 0.00000 0.00002 0.00000 131 2PX -0.00001 0.00003 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00002 0.00000 -0.00001 0.00000 133 2PZ 0.00000 0.00017 0.00000 -0.00002 0.00000 134 3S -0.00035 -0.00165 0.00002 0.00065 0.00000 135 3PX -0.00019 0.00045 -0.00002 -0.00022 0.00000 136 3PY -0.00006 0.00004 0.00000 -0.00004 0.00000 137 3PZ -0.00020 -0.00017 -0.00001 -0.00021 0.00000 138 4XX 0.00000 -0.00009 0.00000 0.00001 0.00000 139 4YY 0.00000 0.00001 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00005 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00001 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 -0.00061 0.00000 0.00001 0.00000 146 2PX -0.00004 -0.00176 0.00000 0.00005 0.00000 147 2PY 0.00000 -0.00001 0.00000 0.00004 0.00000 148 2PZ -0.00005 -0.00194 0.00000 0.00005 0.00000 149 3S -0.00085 -0.00506 0.00001 0.00013 0.00000 150 3PX -0.00135 -0.00782 0.00004 0.00076 0.00000 151 3PY -0.00001 -0.00004 -0.00001 -0.00011 0.00000 152 3PZ -0.00053 -0.00548 0.00002 0.00058 0.00000 153 4XX 0.00000 -0.00003 0.00000 0.00000 0.00000 154 4YY 0.00000 -0.00001 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00011 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00001 0.00006 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 0.00000 -0.00008 0.00000 0.00002 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00001 0.00000 163 2PZ 0.00000 0.00002 0.00000 0.00001 0.00000 164 3S 0.00002 0.00022 0.00000 0.00014 0.00000 165 3PX -0.00006 -0.00057 0.00001 0.00029 0.00000 166 3PY 0.00002 0.00020 0.00001 0.00024 0.00000 167 3PZ -0.00001 -0.00001 0.00001 0.00042 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 -0.00001 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 0.00001 0.00000 -0.00010 0.00000 176 17 H 1S 0.00000 0.00000 0.00000 -0.00007 0.00000 177 2S 0.00000 -0.00004 -0.00013 0.00021 0.00000 178 18 H 1S 0.00000 -0.00002 0.00000 0.00081 0.00000 179 2S -0.00001 -0.00048 0.00064 0.00646 0.00000 180 19 H 1S 0.00000 0.00081 0.00000 -0.00002 0.00000 181 2S 0.00064 0.00646 -0.00001 -0.00048 0.00000 182 20 H 1S 0.00000 -0.00007 0.00000 0.00000 0.00000 183 2S -0.00013 0.00021 0.00000 -0.00004 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 -0.00010 0.00000 0.00001 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 -0.00001 0.00000 187 2S 0.00000 0.00001 0.00000 -0.00027 0.00000 188 23 H 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 189 2S 0.00000 -0.00027 0.00000 0.00001 0.00000 66 67 68 69 70 66 2S 0.21156 67 8 O 1S 0.00001 2.07561 68 2S -0.00042 -0.04155 0.50274 69 2PX -0.00591 0.00000 0.00000 0.61893 70 2PY -0.00110 0.00000 0.00000 0.00000 0.66749 71 2PZ -0.00125 0.00000 0.00000 0.00000 0.00000 72 3S 0.00071 -0.04121 0.45391 0.00000 0.00000 73 3PX -0.02470 0.00000 0.00000 0.18662 0.00000 74 3PY -0.00359 0.00000 0.00000 0.00000 0.21362 75 3PZ -0.00543 0.00000 0.00000 0.00000 0.00000 76 4XX 0.00050 -0.00054 -0.00044 0.00000 0.00000 77 4YY -0.00032 -0.00042 -0.00460 0.00000 0.00000 78 4ZZ -0.00031 -0.00043 -0.00427 0.00000 0.00000 79 4XY -0.00016 0.00000 0.00000 0.00000 0.00000 80 4XZ 0.00003 0.00000 0.00000 0.00000 0.00000 81 4YZ -0.00002 0.00000 0.00000 0.00000 0.00000 82 9 H 1S -0.01252 0.00000 -0.00006 0.00000 -0.00004 83 2S -0.04313 0.00008 -0.00109 0.00071 -0.00113 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 -0.00004 0.00012 0.00000 90 3PX 0.00011 0.00000 -0.00009 -0.00009 -0.00003 91 3PY 0.00000 0.00000 0.00000 -0.00001 -0.00001 92 3PZ 0.00004 0.00000 -0.00004 0.00012 -0.00001 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 -0.00001 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 -0.00003 0.00000 0.00003 -0.00041 -0.00001 105 3PX -0.00004 0.00001 -0.00020 -0.00134 0.00003 106 3PY -0.00002 0.00000 0.00002 -0.00007 -0.00003 107 3PZ -0.00001 0.00000 -0.00005 -0.00013 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 -0.00001 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 -0.00003 0.00000 0.00000 0.00000 0.00000 150 3PX -0.00004 0.00000 0.00001 0.00001 0.00001 151 3PY -0.00002 0.00000 -0.00001 -0.00002 0.00000 152 3PZ -0.00001 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 0.00001 0.00001 0.00001 165 3PX 0.00011 0.00000 0.00001 0.00006 0.00000 166 3PY 0.00000 0.00000 0.00000 0.00001 0.00000 167 3PZ 0.00004 0.00000 0.00001 0.00003 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 0.00000 0.00000 0.00000 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00004 0.00000 0.00004 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00000 0.00000 0.00001 0.00000 180 19 H 1S 0.00000 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 71 72 73 74 75 71 2PZ 0.74389 72 3S 0.00000 0.76069 73 3PX 0.00000 0.00000 0.23557 74 3PY 0.00000 0.00000 0.00000 0.27449 75 3PZ 0.24767 0.00000 0.00000 0.00000 0.33562 76 4XX 0.00000 -0.00047 0.00000 0.00000 0.00000 77 4YY 0.00000 -0.01246 0.00000 0.00000 0.00000 78 4ZZ 0.00000 -0.00755 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 -0.00019 -0.00220 0.00067 -0.00045 -0.00420 83 2S -0.00457 -0.00660 0.00501 -0.00347 -0.01726 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 -0.00002 -0.00007 0.00000 -0.00004 86 2PX 0.00000 -0.00015 -0.00015 -0.00004 -0.00005 87 2PY 0.00000 0.00000 0.00000 0.00000 -0.00001 88 2PZ 0.00000 -0.00006 -0.00006 -0.00001 0.00002 89 3S 0.00015 -0.00009 0.00108 0.00004 0.00114 90 3PX 0.00008 -0.00141 0.00001 -0.00038 0.00081 91 3PY -0.00003 -0.00002 -0.00010 -0.00009 -0.00014 92 3PZ 0.00015 -0.00037 0.00099 -0.00013 0.00065 93 4XX 0.00000 0.00000 0.00001 0.00000 0.00001 94 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4ZZ 0.00000 0.00000 -0.00002 0.00000 -0.00001 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 -0.00001 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 -0.00007 -0.00022 0.00000 -0.00002 101 2PX 0.00000 -0.00041 -0.00135 0.00001 -0.00019 102 2PY 0.00000 0.00000 -0.00002 -0.00001 0.00000 103 2PZ 0.00000 0.00000 -0.00006 0.00000 0.00006 104 3S -0.00010 -0.00081 -0.00356 -0.00006 -0.00072 105 3PX -0.00016 -0.00262 -0.00698 0.00021 -0.00104 106 3PY -0.00002 0.00001 -0.00044 -0.00023 -0.00009 107 3PZ 0.00014 -0.00035 -0.00073 -0.00002 0.00126 108 4XX 0.00000 0.00000 0.00005 0.00000 0.00001 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 0.00001 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 0.00003 0.00014 -0.00002 -0.00003 120 3PX 0.00000 0.00013 0.00000 -0.00002 -0.00001 121 3PY 0.00000 0.00001 0.00002 0.00000 0.00000 122 3PZ 0.00000 0.00000 0.00006 0.00000 0.00005 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 0.00007 0.00001 -0.00001 135 3PX 0.00000 0.00000 0.00002 0.00002 0.00000 136 3PY 0.00000 0.00001 0.00002 0.00001 0.00000 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 -0.00003 -0.00007 -0.00004 0.00000 150 3PX 0.00000 0.00012 0.00007 0.00013 0.00001 151 3PY 0.00000 -0.00004 -0.00023 0.00002 -0.00002 152 3PZ 0.00000 0.00000 0.00000 0.00002 0.00001 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00003 -0.00001 0.00003 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00001 0.00000 0.00001 164 3S -0.00001 0.00005 0.00010 0.00009 -0.00006 165 3PX 0.00007 -0.00003 0.00072 -0.00021 0.00090 166 3PY 0.00000 0.00000 0.00007 -0.00002 0.00005 167 3PZ 0.00001 0.00006 0.00039 0.00002 0.00010 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 -0.00001 0.00000 -0.00002 175 2S 0.00003 0.00019 0.00014 0.00000 0.00013 176 17 H 1S 0.00000 -0.00001 -0.00001 0.00000 0.00000 177 2S 0.00000 0.00036 0.00001 0.00025 0.00003 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00005 0.00014 0.00000 -0.00006 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 -0.00001 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 -0.00001 0.00000 0.00000 -0.00001 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 -0.00002 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 76 77 78 79 80 76 4XX 0.00074 77 4YY -0.00009 0.00293 78 4ZZ 0.00001 -0.00010 0.00115 79 4XY 0.00000 0.00000 0.00000 0.00154 80 4XZ 0.00000 0.00000 0.00000 0.00000 0.00055 81 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 9 H 1S 0.00001 0.00000 0.00005 0.00001 0.00006 83 2S -0.00005 -0.00021 0.00068 0.00002 0.00016 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 -0.00001 0.00000 0.00000 90 3PX 0.00001 -0.00003 0.00003 0.00000 0.00004 91 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 92 3PZ 0.00001 -0.00001 0.00000 0.00000 0.00001 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 0.00001 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 0.00002 0.00002 0.00000 0.00000 105 3PX 0.00023 -0.00004 -0.00002 0.00001 0.00002 106 3PY 0.00000 0.00000 0.00000 -0.00001 0.00000 107 3PZ 0.00002 0.00000 0.00000 0.00000 -0.00001 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 -0.00002 0.00000 0.00001 0.00001 0.00000 166 3PY -0.00001 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 -0.00001 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 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 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 0.00156 82 9 H 1S 0.00003 0.22384 83 2S -0.00006 0.11188 0.15548 84 10 C 1S 0.00000 0.00000 0.00000 2.05282 85 2S 0.00000 0.00000 0.00000 -0.01370 0.32755 86 2PX 0.00000 0.00000 0.00004 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 -0.00022 -0.02917 0.19680 90 3PX 0.00000 -0.00002 0.00020 0.00000 0.00000 91 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 92 3PZ 0.00000 0.00000 -0.00002 0.00000 0.00000 93 4XX 0.00000 0.00000 0.00000 -0.00098 -0.00926 94 4YY 0.00000 0.00000 0.00000 -0.00134 -0.00220 95 4ZZ 0.00000 0.00000 0.00000 -0.00141 -0.00118 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 -0.00060 100 2S 0.00000 0.00000 0.00000 -0.00055 0.01175 101 2PX 0.00000 0.00000 0.00001 -0.00010 0.00159 102 2PY 0.00000 0.00000 0.00000 -0.00069 0.00980 103 2PZ 0.00000 0.00000 0.00000 -0.00217 0.03225 104 3S 0.00000 0.00000 0.00009 -0.00073 0.01369 105 3PX 0.00000 0.00000 0.00008 0.00003 -0.00012 106 3PY 0.00000 0.00000 0.00007 -0.00067 0.00769 107 3PZ 0.00000 0.00000 -0.00002 -0.00155 0.01811 108 4XX 0.00000 0.00000 0.00000 0.00001 -0.00053 109 4YY 0.00000 0.00000 0.00000 0.00002 -0.00045 110 4ZZ 0.00000 0.00000 0.00000 -0.00014 0.00189 111 4XY 0.00000 0.00000 0.00000 -0.00001 0.00009 112 4XZ 0.00000 0.00000 0.00000 -0.00002 0.00017 113 4YZ 0.00000 0.00000 0.00000 -0.00013 0.00141 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 -0.00006 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00018 119 3S 0.00000 0.00000 0.00000 0.00004 -0.00071 120 3PX 0.00000 0.00000 0.00000 0.00004 -0.00086 121 3PY 0.00000 0.00000 0.00000 0.00000 0.00003 122 3PZ 0.00000 0.00000 0.00000 0.00012 -0.00201 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 0.00002 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 -0.00001 134 3S 0.00000 0.00000 0.00000 0.00002 -0.00042 135 3PX 0.00000 0.00000 0.00000 0.00001 -0.00016 136 3PY 0.00000 0.00000 0.00000 0.00001 -0.00023 137 3PZ 0.00000 0.00000 0.00000 0.00001 -0.00023 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 0.00001 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 -0.00024 148 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00016 149 3S 0.00000 0.00000 0.00009 0.00005 -0.00115 150 3PX 0.00000 0.00000 0.00008 0.00000 -0.00001 151 3PY 0.00000 0.00000 0.00007 0.00007 -0.00138 152 3PZ 0.00000 0.00000 -0.00002 0.00007 -0.00140 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 -0.00001 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 -0.00046 160 2S 0.00000 0.00000 0.00000 -0.00046 0.00935 161 2PX 0.00000 0.00000 0.00004 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 -0.00253 0.03966 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 -0.00001 -0.00022 -0.00031 0.01099 165 3PX 0.00000 -0.00002 0.00020 0.00000 0.00000 166 3PY 0.00000 0.00000 -0.00001 -0.00167 0.02307 167 3PZ 0.00000 0.00000 -0.00002 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 -0.00038 169 4YY 0.00000 0.00000 0.00000 -0.00026 0.00361 170 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00051 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 0.00001 -0.00201 0.03151 175 2S 0.00000 0.00000 0.00008 -0.00121 0.01248 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00019 177 2S 0.00000 0.00000 0.00000 0.00019 -0.00279 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00000 0.00000 0.00000 0.00014 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 0.00013 184 21 H 1S 0.00000 0.00000 0.00001 0.00000 -0.00017 185 2S 0.00000 0.00000 0.00008 0.00019 -0.00255 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 -0.00004 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 0.35515 87 2PY 0.00000 0.41443 88 2PZ 0.00000 0.00000 0.40211 89 3S 0.00000 0.00000 0.00000 0.23665 90 3PX 0.12496 0.00000 0.00000 0.00000 0.14682 91 3PY 0.00000 0.07776 0.00000 0.00000 0.00000 92 3PZ 0.00000 0.00000 0.06992 0.00000 0.00000 93 4XX 0.00000 0.00000 0.00000 -0.00540 0.00000 94 4YY 0.00000 0.00000 0.00000 -0.00177 0.00000 95 4ZZ 0.00000 0.00000 0.00000 0.00011 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 -0.00008 -0.00064 -0.00230 0.00057 0.00019 100 2S 0.00109 0.00958 0.03309 0.00549 -0.00087 101 2PX 0.01557 0.00035 0.00939 0.00072 0.02580 102 2PY -0.00035 -0.00036 0.02654 0.01081 -0.00098 103 2PZ 0.01190 0.02710 0.03730 0.01332 0.00536 104 3S 0.00012 0.00627 0.03439 -0.01157 -0.00246 105 3PX 0.02857 -0.00001 0.00427 0.00067 0.04679 106 3PY -0.00075 -0.00083 0.01065 0.00480 -0.00117 107 3PZ 0.00651 0.01220 0.00353 0.00209 0.00505 108 4XX 0.00006 -0.00020 -0.00091 -0.00040 -0.00018 109 4YY -0.00001 -0.00025 -0.00035 -0.00145 -0.00002 110 4ZZ 0.00050 0.00199 -0.00092 0.00253 0.00049 111 4XY 0.00029 0.00000 0.00026 0.00003 0.00021 112 4XZ 0.00134 0.00012 0.00019 0.00004 0.00103 113 4YZ 0.00027 -0.00004 0.00193 0.00037 0.00002 114 12 C 1S 0.00000 0.00000 0.00000 0.00002 0.00006 115 2S -0.00006 0.00000 -0.00014 -0.00047 -0.00094 116 2PX 0.00004 0.00000 -0.00026 0.00037 0.00033 117 2PY 0.00000 0.00000 0.00000 -0.00002 0.00002 118 2PZ -0.00015 0.00000 -0.00039 -0.00145 -0.00148 119 3S -0.00205 0.00001 -0.00159 0.00196 -0.00722 120 3PX 0.00011 0.00003 -0.00298 0.00125 -0.00006 121 3PY 0.00004 0.00013 0.00007 0.00007 0.00010 122 3PZ -0.00037 -0.00001 -0.00290 -0.00137 -0.00113 123 4XX -0.00001 0.00000 0.00001 -0.00003 -0.00023 124 4YY 0.00000 0.00000 0.00000 -0.00007 0.00001 125 4ZZ 0.00006 0.00000 0.00004 0.00018 0.00049 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00003 0.00002 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00002 0.00001 130 2S 0.00000 0.00000 0.00000 -0.00038 -0.00025 131 2PX 0.00000 -0.00001 0.00000 -0.00067 -0.00013 132 2PY 0.00001 0.00001 -0.00002 -0.00021 0.00023 133 2PZ -0.00001 -0.00002 0.00000 -0.00082 -0.00037 134 3S -0.00012 -0.00033 -0.00038 -0.00472 -0.00083 135 3PX -0.00001 -0.00039 0.00004 -0.00270 0.00002 136 3PY 0.00041 0.00008 -0.00088 -0.00122 0.00171 137 3PZ 0.00000 -0.00044 -0.00001 -0.00310 -0.00033 138 4XX 0.00000 0.00000 0.00000 -0.00001 0.00002 139 4YY 0.00000 0.00000 0.00000 0.00001 -0.00003 140 4ZZ 0.00000 0.00000 0.00000 0.00003 -0.00001 141 4XY 0.00000 0.00000 0.00000 0.00001 0.00001 142 4XZ 0.00000 0.00000 0.00000 -0.00003 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 -0.00001 0.00000 145 2S -0.00002 -0.00030 -0.00005 -0.00108 -0.00010 146 2PX -0.00004 0.00000 -0.00001 -0.00004 -0.00102 147 2PY -0.00002 -0.00052 -0.00005 -0.00519 0.00000 148 2PZ -0.00002 -0.00036 -0.00005 0.00148 0.00004 149 3S -0.00026 -0.00152 -0.00166 -0.00123 -0.00022 150 3PX -0.00115 -0.00027 -0.00016 -0.00079 -0.00494 151 3PY -0.00035 0.00058 -0.00015 -0.00657 -0.00034 152 3PZ -0.00034 -0.00242 -0.00021 0.00329 -0.00048 153 4XX 0.00000 0.00000 0.00000 -0.00007 0.00000 154 4YY 0.00000 0.00014 0.00001 0.00044 -0.00002 155 4ZZ 0.00000 -0.00002 0.00000 -0.00011 0.00003 156 4XY 0.00001 0.00000 0.00000 0.00000 0.00005 157 4XZ 0.00001 0.00000 0.00000 -0.00002 0.00010 158 4YZ 0.00000 0.00009 0.00000 0.00013 0.00000 159 15 C 1S 0.00000 -0.00253 0.00000 -0.00031 0.00000 160 2S 0.00000 0.03966 0.00000 0.01099 0.00000 161 2PX 0.01518 0.00000 0.00000 0.00000 0.02443 162 2PY 0.00000 0.09673 0.00000 0.03106 0.00000 163 2PZ 0.00000 0.00000 0.00347 0.00000 0.00000 164 3S 0.00000 0.03106 0.00000 -0.00467 0.00000 165 3PX 0.02443 0.00000 0.00000 0.00000 0.04128 166 3PY 0.00000 0.01798 0.00000 0.01031 0.00000 167 3PZ 0.00000 0.00000 0.01020 0.00000 0.00000 168 4XX 0.00000 -0.00084 0.00000 -0.00083 0.00000 169 4YY 0.00000 0.00229 0.00000 0.00381 0.00000 170 4ZZ 0.00000 -0.00133 0.00000 -0.00199 0.00000 171 4XY 0.00204 0.00000 0.00000 0.00000 0.00130 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00201 0.00000 0.00000 174 16 H 1S 0.01630 0.02419 0.05812 0.04222 0.00788 175 2S 0.01123 0.01527 0.03818 0.03625 0.00865 176 17 H 1S 0.00000 -0.00048 -0.00026 -0.00397 0.00003 177 2S 0.00008 -0.00661 -0.00295 -0.01341 0.00028 178 18 H 1S 0.00000 0.00000 0.00000 0.00005 0.00007 179 2S 0.00018 0.00002 0.00021 0.00085 0.00129 180 19 H 1S 0.00000 0.00000 0.00000 0.00001 0.00000 181 2S 0.00000 0.00000 -0.00001 0.00032 0.00000 182 20 H 1S 0.00000 0.00000 0.00000 0.00014 0.00000 183 2S 0.00000 0.00052 0.00003 0.00203 -0.00002 184 21 H 1S -0.00001 -0.00057 -0.00013 -0.00414 0.00006 185 2S -0.00037 -0.00816 -0.00201 -0.01645 -0.00018 186 22 H 1S -0.00001 0.00000 0.00000 -0.00013 -0.00083 187 2S -0.00059 0.00000 0.00019 -0.00096 -0.00342 188 23 H 1S 0.00000 0.00000 0.00000 0.00004 0.00007 189 2S 0.00010 -0.00001 -0.00002 0.00062 0.00138 91 92 93 94 95 91 3PY 0.05806 92 3PZ 0.00000 0.05819 93 4XX 0.00000 0.00000 0.00073 94 4YY 0.00000 0.00000 0.00004 0.00115 95 4ZZ 0.00000 0.00000 0.00008 -0.00018 0.00110 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 -0.00040 -0.00061 0.00001 0.00001 -0.00012 100 2S 0.00362 0.01568 -0.00036 -0.00045 0.00170 101 2PX -0.00025 0.00447 0.00004 -0.00002 0.00041 102 2PY 0.00130 0.00875 -0.00019 -0.00027 0.00200 103 2PZ 0.01498 0.00074 -0.00062 -0.00070 -0.00077 104 3S 0.00205 0.01608 -0.00084 -0.00065 0.00204 105 3PX -0.00111 0.00457 -0.00011 -0.00014 0.00052 106 3PY 0.00079 0.00413 -0.00027 -0.00054 0.00077 107 3PZ 0.01102 0.00065 -0.00018 -0.00048 -0.00084 108 4XX -0.00046 -0.00021 0.00002 -0.00001 0.00001 109 4YY -0.00041 -0.00028 0.00000 0.00004 -0.00017 110 4ZZ 0.00106 -0.00076 -0.00002 -0.00012 0.00004 111 4XY -0.00001 0.00004 0.00000 0.00000 0.00000 112 4XZ -0.00002 0.00003 0.00000 -0.00002 0.00004 113 4YZ -0.00001 0.00005 -0.00004 0.00000 -0.00008 114 12 C 1S 0.00000 0.00005 0.00000 0.00000 0.00000 115 2S -0.00004 -0.00079 0.00000 0.00000 0.00001 116 2PX -0.00004 0.00003 0.00000 0.00000 0.00003 117 2PY 0.00017 -0.00003 0.00000 0.00000 0.00000 118 2PZ -0.00017 -0.00112 0.00001 0.00000 0.00004 119 3S -0.00019 0.00182 0.00005 -0.00012 0.00023 120 3PX -0.00003 -0.00127 0.00003 -0.00008 0.00023 121 3PY 0.00107 0.00000 0.00000 0.00000 0.00000 122 3PZ -0.00025 -0.00149 0.00014 -0.00013 0.00024 123 4XX -0.00001 0.00016 0.00000 0.00000 0.00000 124 4YY 0.00000 -0.00010 0.00000 0.00000 0.00000 125 4ZZ 0.00002 0.00005 0.00000 0.00000 0.00000 126 4XY -0.00002 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00008 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 -0.00015 -0.00013 0.00000 0.00000 0.00000 131 2PX -0.00021 -0.00049 0.00000 0.00000 0.00000 132 2PY 0.00009 -0.00050 0.00000 0.00000 0.00000 133 2PZ -0.00079 -0.00015 0.00000 0.00000 0.00000 134 3S -0.00209 -0.00150 0.00002 0.00003 -0.00003 135 3PX -0.00093 -0.00135 0.00000 -0.00001 0.00002 136 3PY -0.00003 -0.00233 0.00000 0.00004 -0.00006 137 3PZ -0.00223 -0.00045 0.00002 -0.00001 -0.00001 138 4XX -0.00005 -0.00002 0.00000 0.00000 0.00000 139 4YY 0.00003 -0.00001 0.00000 0.00000 0.00000 140 4ZZ 0.00002 0.00006 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00002 0.00000 0.00000 0.00000 142 4XZ -0.00002 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00002 -0.00001 0.00000 0.00000 0.00000 144 14 C 1S 0.00010 -0.00009 0.00000 0.00000 0.00000 145 2S -0.00226 0.00033 0.00000 0.00002 0.00000 146 2PX -0.00028 -0.00020 0.00000 0.00001 0.00000 147 2PY -0.00558 0.00027 0.00000 0.00006 0.00000 148 2PZ 0.00101 0.00049 0.00000 0.00003 0.00001 149 3S -0.00338 -0.00104 0.00003 0.00012 0.00003 150 3PX -0.00136 -0.00076 0.00001 0.00003 -0.00003 151 3PY -0.00205 0.00089 0.00000 0.00017 0.00007 152 3PZ 0.00197 -0.00058 -0.00001 -0.00003 0.00011 153 4XX -0.00017 -0.00006 0.00000 0.00000 0.00000 154 4YY 0.00071 0.00000 0.00000 0.00000 0.00000 155 4ZZ -0.00016 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 157 4XZ -0.00001 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00016 0.00002 0.00000 0.00000 0.00000 159 15 C 1S -0.00167 0.00000 0.00000 -0.00026 0.00000 160 2S 0.02306 0.00000 -0.00038 0.00361 -0.00051 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.01798 0.00000 -0.00084 0.00229 -0.00133 163 2PZ 0.00000 0.01021 0.00000 0.00000 0.00000 164 3S 0.01031 0.00000 -0.00083 0.00381 -0.00199 165 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PY 0.00190 0.00000 -0.00069 0.00115 -0.00204 167 3PZ 0.00000 0.01004 0.00000 0.00000 0.00000 168 4XX -0.00069 0.00000 0.00002 -0.00006 0.00001 169 4YY 0.00115 0.00000 -0.00006 -0.00007 -0.00001 170 4ZZ -0.00204 0.00000 0.00001 -0.00001 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 0.00046 0.00000 0.00000 0.00000 174 16 H 1S 0.00986 0.02404 -0.00036 -0.00081 0.00181 175 2S 0.00742 0.01857 0.00032 -0.00130 0.00240 176 17 H 1S -0.00003 -0.00158 0.00000 0.00009 -0.00003 177 2S -0.00224 -0.00516 0.00000 0.00098 -0.00058 178 18 H 1S 0.00004 0.00006 0.00000 0.00000 0.00000 179 2S 0.00040 0.00019 0.00000 0.00000 -0.00002 180 19 H 1S 0.00002 0.00001 0.00000 0.00000 0.00000 181 2S 0.00031 0.00023 0.00000 0.00000 0.00000 182 20 H 1S 0.00034 -0.00001 0.00000 0.00000 0.00000 183 2S 0.00381 0.00011 0.00000 -0.00001 0.00000 184 21 H 1S -0.00333 0.00017 0.00000 0.00002 0.00000 185 2S -0.01333 0.00033 0.00010 -0.00017 0.00015 186 22 H 1S -0.00001 0.00002 0.00000 0.00000 0.00000 187 2S -0.00002 0.00000 0.00000 0.00000 0.00001 188 23 H 1S -0.00002 0.00004 0.00000 0.00000 0.00000 189 2S -0.00036 -0.00003 0.00000 0.00000 0.00000 96 97 98 99 100 96 4XY 0.00077 97 4XZ 0.00000 0.00070 98 4YZ 0.00000 0.00000 0.00134 99 11 C 1S -0.00001 -0.00002 -0.00014 2.05493 100 2S 0.00010 0.00017 0.00145 -0.01338 0.32600 101 2PX 0.00035 0.00110 0.00028 0.00000 0.00000 102 2PY 0.00000 0.00021 -0.00003 0.00000 0.00000 103 2PZ 0.00029 0.00021 0.00176 0.00000 0.00000 104 3S 0.00005 0.00000 0.00074 -0.03626 0.23449 105 3PX 0.00034 0.00069 0.00003 0.00000 0.00000 106 3PY 0.00000 0.00000 0.00005 0.00000 0.00000 107 3PZ 0.00009 0.00003 0.00010 0.00000 0.00000 108 4XX 0.00000 0.00000 -0.00005 -0.00092 -0.00901 109 4YY 0.00000 -0.00004 0.00001 -0.00146 0.00117 110 4ZZ -0.00002 0.00005 -0.00009 -0.00109 -0.00530 111 4XY 0.00000 0.00002 0.00000 0.00000 0.00000 112 4XZ -0.00001 -0.00003 -0.00003 0.00000 0.00000 113 4YZ 0.00000 -0.00001 0.00002 0.00000 0.00000 114 12 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00020 115 2S 0.00000 0.00001 0.00000 -0.00020 0.00515 116 2PX 0.00000 0.00002 0.00000 -0.00064 0.01324 117 2PY 0.00000 0.00000 0.00000 -0.00019 0.00379 118 2PZ 0.00000 0.00004 0.00000 -0.00062 0.01221 119 3S 0.00000 0.00007 -0.00001 0.00028 0.00640 120 3PX 0.00000 0.00004 -0.00001 -0.00067 0.01063 121 3PY 0.00002 0.00000 -0.00006 -0.00022 0.00175 122 3PZ 0.00000 0.00016 -0.00001 -0.00061 0.01010 123 4XX 0.00000 0.00000 0.00000 -0.00001 0.00020 124 4YY 0.00000 0.00000 0.00000 0.00000 -0.00018 125 4ZZ 0.00000 0.00000 0.00000 -0.00001 0.00030 126 4XY 0.00000 0.00000 0.00000 -0.00003 0.00045 127 4XZ 0.00000 0.00000 0.00000 -0.00007 0.00120 128 4YZ 0.00000 0.00000 0.00000 -0.00003 0.00043 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 -0.00002 132 2PY 0.00000 0.00000 0.00000 0.00000 -0.00011 133 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00002 134 3S -0.00002 0.00001 -0.00001 -0.00001 -0.00053 135 3PX 0.00000 0.00000 -0.00002 0.00000 -0.00025 136 3PY 0.00000 -0.00001 0.00000 0.00009 -0.00230 137 3PZ 0.00000 0.00001 -0.00002 0.00000 -0.00033 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 0.00001 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 0.00003 0.00000 -0.00002 146 2PX 0.00002 0.00000 0.00001 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00008 0.00000 -0.00006 148 2PZ 0.00001 0.00000 0.00003 0.00000 0.00000 149 3S 0.00000 0.00000 0.00022 0.00007 -0.00081 150 3PX 0.00022 -0.00004 0.00003 0.00000 0.00000 151 3PY -0.00001 0.00000 0.00021 0.00010 -0.00055 152 3PZ 0.00006 0.00000 0.00003 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 0.00204 0.00000 0.00000 0.00000 -0.00002 162 2PY 0.00000 0.00000 0.00000 0.00000 -0.00030 163 2PZ 0.00000 0.00000 0.00201 0.00000 -0.00005 164 3S 0.00000 0.00000 0.00000 -0.00001 -0.00108 165 3PX 0.00130 0.00000 0.00000 0.00000 -0.00010 166 3PY 0.00000 0.00000 0.00000 0.00010 -0.00226 167 3PZ 0.00000 0.00000 0.00046 -0.00009 0.00033 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 -0.00009 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 -0.00025 0.00000 0.00003 174 16 H 1S 0.00071 0.00150 0.00268 0.00000 -0.00021 175 2S 0.00016 0.00026 0.00061 0.00026 -0.00353 176 17 H 1S 0.00000 0.00000 0.00006 -0.00197 0.03104 177 2S 0.00001 -0.00001 0.00016 -0.00122 0.01265 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00014 179 2S 0.00000 0.00000 0.00000 0.00018 -0.00271 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00008 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 -0.00001 0.00000 0.00002 184 21 H 1S 0.00002 0.00000 0.00006 0.00000 0.00000 185 2S 0.00009 0.00000 0.00029 0.00000 0.00013 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00018 187 2S -0.00001 -0.00003 0.00000 0.00017 -0.00314 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S -0.00001 0.00000 0.00000 0.00000 0.00006 101 102 103 104 105 101 2PX 0.34895 102 2PY 0.00000 0.41140 103 2PZ 0.00000 0.00000 0.39185 104 3S 0.00000 0.00000 0.00000 0.29354 105 3PX 0.11484 0.00000 0.00000 0.00000 0.13458 106 3PY 0.00000 0.07561 0.00000 0.00000 0.00000 107 3PZ 0.00000 0.00000 0.09432 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 -0.00634 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00257 0.00000 110 4ZZ 0.00000 0.00000 0.00000 -0.00501 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 -0.00048 -0.00024 -0.00060 0.00005 -0.00012 115 2S 0.00949 0.00422 0.01170 0.00399 0.00415 116 2PX 0.00745 0.00781 0.02214 0.01012 -0.00083 117 2PY 0.00741 -0.00061 0.00603 0.00280 0.00414 118 2PZ 0.01973 0.00705 0.00977 0.01394 0.00690 119 3S 0.00841 0.01038 0.01788 -0.00481 -0.00513 120 3PX -0.00107 0.00493 0.01371 0.00531 -0.00501 121 3PY 0.00521 0.00043 0.00356 0.00027 0.00442 122 3PZ 0.01286 0.00454 -0.00081 0.00943 0.00661 123 4XX -0.00058 0.00027 0.00081 0.00088 -0.00132 124 4YY -0.00015 -0.00006 -0.00016 -0.00034 0.00012 125 4ZZ 0.00102 0.00026 -0.00066 -0.00007 0.00173 126 4XY 0.00019 0.00003 0.00068 0.00016 0.00000 127 4XZ 0.00038 0.00065 0.00044 0.00057 0.00000 128 4YZ 0.00066 0.00003 0.00025 0.00022 0.00015 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S -0.00002 -0.00008 -0.00002 -0.00029 -0.00019 131 2PX -0.00001 -0.00002 -0.00002 0.00030 0.00004 132 2PY -0.00011 -0.00027 -0.00006 -0.00115 -0.00077 133 2PZ -0.00002 -0.00003 -0.00001 -0.00023 -0.00017 134 3S 0.00050 -0.00351 -0.00080 -0.00131 0.00307 135 3PX 0.00003 -0.00004 -0.00033 0.00110 0.00056 136 3PY -0.00058 -0.00465 -0.00096 -0.00452 -0.00001 137 3PZ 0.00000 -0.00042 0.00003 -0.00082 -0.00001 138 4XX 0.00000 0.00000 0.00000 -0.00002 0.00010 139 4YY 0.00000 0.00001 0.00001 0.00002 -0.00010 140 4ZZ 0.00000 0.00000 0.00000 0.00001 -0.00008 141 4XY 0.00000 0.00002 0.00001 0.00001 0.00000 142 4XZ 0.00000 0.00000 0.00000 -0.00001 0.00000 143 4YZ 0.00001 0.00001 0.00001 0.00004 0.00005 144 14 C 1S 0.00000 0.00000 0.00000 0.00007 0.00000 145 2S 0.00000 -0.00006 0.00000 -0.00081 0.00000 146 2PX -0.00004 0.00000 0.00000 0.00000 -0.00162 147 2PY 0.00000 -0.00019 0.00000 -0.00121 0.00000 148 2PZ 0.00000 0.00000 -0.00002 0.00000 0.00000 149 3S 0.00000 -0.00121 0.00000 -0.00459 0.00000 150 3PX -0.00162 0.00000 0.00000 0.00000 -0.00866 151 3PY 0.00000 0.00107 0.00000 -0.00156 0.00000 152 3PZ 0.00000 0.00000 -0.00080 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 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 -0.00001 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 0.00005 0.00000 160 2S 0.00000 -0.00024 -0.00016 -0.00115 -0.00001 161 2PX -0.00004 -0.00002 -0.00002 -0.00026 -0.00115 162 2PY 0.00000 -0.00052 -0.00036 -0.00152 -0.00027 163 2PZ -0.00001 -0.00005 -0.00005 -0.00166 -0.00016 164 3S -0.00004 -0.00519 0.00148 -0.00123 -0.00079 165 3PX -0.00102 0.00000 0.00004 -0.00022 -0.00494 166 3PY -0.00028 -0.00558 0.00101 -0.00338 -0.00136 167 3PZ -0.00020 0.00027 0.00049 -0.00104 -0.00076 168 4XX 0.00000 0.00000 0.00000 0.00003 0.00001 169 4YY 0.00001 0.00006 0.00003 0.00012 0.00003 170 4ZZ 0.00000 0.00000 0.00001 0.00003 -0.00003 171 4XY 0.00002 0.00000 0.00001 0.00000 0.00022 172 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00004 173 4YZ 0.00001 0.00008 0.00003 0.00022 0.00003 174 16 H 1S -0.00005 0.00000 -0.00066 -0.00370 0.00035 175 2S -0.00095 0.00000 -0.01002 -0.01436 0.00090 176 17 H 1S 0.00168 0.09662 0.00025 0.04211 0.00016 177 2S 0.00088 0.06397 -0.00001 0.02299 -0.00061 178 18 H 1S -0.00004 0.00000 -0.00050 -0.00280 0.00059 179 2S 0.00023 -0.00011 -0.00843 -0.01128 0.00426 180 19 H 1S 0.00000 0.00000 0.00000 0.00005 0.00000 181 2S 0.00000 0.00015 0.00016 0.00050 -0.00026 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00006 0.00000 0.00022 0.00003 184 21 H 1S 0.00000 0.00000 0.00000 0.00011 0.00000 185 2S -0.00001 0.00019 0.00034 0.00160 -0.00013 186 22 H 1S -0.00038 -0.00001 -0.00009 -0.00075 -0.00497 187 2S -0.00668 -0.00010 -0.00069 -0.00116 -0.01771 188 23 H 1S 0.00000 0.00000 0.00000 -0.00003 0.00020 189 2S 0.00021 0.00010 0.00001 -0.00016 0.00182 106 107 108 109 110 106 3PY 0.05435 107 3PZ 0.00000 0.08688 108 4XX 0.00000 0.00000 0.00127 109 4YY 0.00000 0.00000 -0.00013 0.00185 110 4ZZ 0.00000 0.00000 0.00007 -0.00028 0.00134 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 -0.00021 -0.00038 -0.00002 0.00001 -0.00001 115 2S 0.00297 0.00604 0.00042 -0.00028 0.00022 116 2PX 0.00089 0.01048 -0.00061 -0.00027 0.00060 117 2PY -0.00148 0.00316 0.00035 -0.00006 0.00030 118 2PZ 0.00184 -0.00057 0.00093 -0.00028 -0.00077 119 3S 0.00621 0.01217 0.00131 -0.00156 0.00064 120 3PX 0.00062 0.00828 -0.00060 -0.00062 0.00079 121 3PY -0.00069 0.00153 0.00037 -0.00036 0.00021 122 3PZ 0.00083 -0.00343 0.00097 -0.00059 -0.00074 123 4XX 0.00038 0.00124 0.00005 -0.00002 -0.00009 124 4YY -0.00035 -0.00033 -0.00003 0.00002 -0.00003 125 4ZZ 0.00001 -0.00087 -0.00010 -0.00004 0.00005 126 4XY 0.00014 0.00018 -0.00003 0.00000 0.00000 127 4XZ 0.00006 0.00000 -0.00003 -0.00002 -0.00002 128 4YZ 0.00011 0.00000 0.00001 0.00000 -0.00003 129 13 C 1S 0.00004 0.00003 0.00000 0.00000 0.00000 130 2S -0.00092 -0.00047 0.00000 0.00001 0.00000 131 2PX 0.00112 -0.00065 0.00000 0.00000 0.00000 132 2PY -0.00109 -0.00094 -0.00001 0.00005 -0.00001 133 2PZ 0.00066 0.00002 0.00000 0.00000 0.00000 134 3S -0.00620 -0.00390 -0.00008 0.00027 -0.00006 135 3PX 0.00211 -0.00137 0.00000 -0.00001 -0.00001 136 3PY -0.00397 -0.00237 -0.00013 0.00057 -0.00012 137 3PZ 0.00054 0.00059 -0.00002 0.00002 0.00001 138 4XX 0.00000 -0.00002 0.00000 0.00000 0.00000 139 4YY 0.00004 0.00003 0.00000 0.00000 0.00000 140 4ZZ -0.00003 0.00003 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00006 0.00000 0.00000 0.00000 142 4XZ 0.00002 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00002 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00010 0.00000 0.00000 0.00000 0.00000 145 2S -0.00055 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00107 0.00000 0.00000 0.00001 0.00000 148 2PZ 0.00000 -0.00080 0.00000 0.00000 0.00000 149 3S -0.00156 0.00000 0.00000 0.00002 0.00001 150 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 3PY 0.00452 0.00000 0.00000 -0.00003 -0.00002 152 3PZ 0.00000 -0.00320 0.00000 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY -0.00003 0.00000 0.00000 0.00000 0.00000 155 4ZZ -0.00002 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 -0.00004 0.00000 0.00000 0.00000 159 15 C 1S 0.00007 0.00007 0.00000 0.00000 0.00000 160 2S -0.00138 -0.00140 0.00000 0.00003 -0.00001 161 2PX -0.00035 -0.00034 0.00000 0.00000 0.00000 162 2PY 0.00058 -0.00242 0.00000 0.00014 -0.00002 163 2PZ -0.00015 -0.00021 0.00000 0.00001 0.00000 164 3S -0.00657 0.00329 -0.00007 0.00044 -0.00011 165 3PX -0.00034 -0.00048 0.00000 -0.00002 0.00003 166 3PY -0.00205 0.00197 -0.00017 0.00071 -0.00016 167 3PZ 0.00089 -0.00058 -0.00006 0.00000 0.00000 168 4XX 0.00000 -0.00001 0.00000 0.00000 0.00000 169 4YY 0.00017 -0.00003 0.00000 0.00000 0.00000 170 4ZZ 0.00007 0.00011 0.00000 0.00000 0.00000 171 4XY -0.00001 0.00006 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00021 0.00003 0.00000 0.00000 0.00000 174 16 H 1S -0.00008 -0.00328 0.00001 -0.00001 0.00009 175 2S -0.00023 -0.01419 0.00032 -0.00036 0.00050 176 17 H 1S 0.04339 0.00025 -0.00100 0.00749 -0.00121 177 2S 0.04211 -0.00009 -0.00193 0.00678 -0.00286 178 18 H 1S 0.00001 -0.00303 -0.00001 0.00000 0.00011 179 2S -0.00019 -0.01435 -0.00034 -0.00014 0.00103 180 19 H 1S -0.00004 0.00007 0.00000 0.00000 0.00000 181 2S -0.00014 0.00109 0.00001 -0.00002 0.00000 182 20 H 1S -0.00002 0.00000 0.00000 0.00000 0.00000 183 2S -0.00012 0.00001 0.00000 0.00000 0.00000 184 21 H 1S 0.00005 0.00019 0.00000 0.00000 0.00000 185 2S 0.00099 0.00242 0.00000 -0.00002 0.00001 186 22 H 1S 0.00025 -0.00047 0.00013 0.00000 -0.00001 187 2S 0.00063 0.00030 0.00093 -0.00012 -0.00025 188 23 H 1S -0.00011 0.00004 0.00000 0.00000 0.00000 189 2S -0.00020 0.00028 0.00000 -0.00002 0.00001 111 112 113 114 115 111 4XY 0.00038 112 4XZ 0.00000 0.00090 113 4YZ 0.00000 0.00000 0.00071 114 12 C 1S -0.00002 -0.00007 -0.00003 2.05093 115 2S 0.00037 0.00108 0.00043 -0.01173 0.30675 116 2PX 0.00020 0.00032 0.00066 0.00000 0.00000 117 2PY 0.00004 0.00059 0.00003 0.00000 0.00000 118 2PZ 0.00058 0.00036 0.00028 0.00000 0.00000 119 3S 0.00018 0.00073 0.00027 -0.03468 0.23023 120 3PX 0.00000 0.00000 0.00019 0.00000 0.00000 121 3PY 0.00009 0.00017 0.00005 0.00000 0.00000 122 3PZ 0.00014 0.00000 0.00000 0.00000 0.00000 123 4XX -0.00001 0.00003 -0.00001 -0.00136 -0.00117 124 4YY 0.00000 -0.00004 0.00000 -0.00123 -0.00373 125 4ZZ -0.00002 -0.00001 -0.00002 -0.00136 -0.00110 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00002 0.00002 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 0.00000 -0.00013 0.00357 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00003 -0.00001 0.00002 -0.00105 0.02296 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00004 0.00000 0.00003 0.00033 0.00284 135 3PX 0.00000 0.00000 0.00001 0.00000 0.00000 136 3PY 0.00010 -0.00006 0.00008 -0.00140 0.02012 137 3PZ 0.00001 0.00000 0.00000 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 0.00253 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 -0.00002 147 2PY 0.00000 0.00000 0.00000 0.00000 -0.00008 148 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00002 149 3S 0.00000 0.00000 0.00000 0.00000 -0.00029 150 3PX -0.00001 0.00000 0.00000 0.00000 -0.00019 151 3PY 0.00000 0.00000 0.00000 0.00004 -0.00092 152 3PZ 0.00000 0.00000 -0.00004 0.00003 -0.00047 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 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00001 0.00000 0.00000 161 2PX 0.00001 0.00001 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00009 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 -0.00002 0.00013 0.00002 -0.00038 165 3PX 0.00005 0.00010 0.00000 0.00001 -0.00025 166 3PY 0.00000 -0.00001 0.00016 0.00001 -0.00015 167 3PZ 0.00001 0.00000 0.00002 0.00001 -0.00013 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 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 0.00003 -0.00001 0.00000 0.00000 175 2S 0.00000 0.00013 -0.00004 0.00000 0.00008 176 17 H 1S 0.00018 0.00001 0.00002 0.00000 -0.00012 177 2S 0.00003 0.00000 0.00001 0.00017 -0.00247 178 18 H 1S 0.00000 0.00002 0.00000 -0.00165 0.02726 179 2S -0.00001 -0.00005 -0.00003 -0.00051 0.00973 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00011 181 2S 0.00000 0.00000 0.00000 0.00010 -0.00182 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 0.00003 0.00000 -0.00167 0.02754 187 2S -0.00002 0.00001 -0.00001 -0.00062 0.01033 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00013 189 2S -0.00001 0.00000 0.00000 0.00014 -0.00231 116 117 118 119 120 116 2PX 0.39946 117 2PY 0.00000 0.38112 118 2PZ 0.00000 0.00000 0.40015 119 3S 0.00000 0.00000 0.00000 0.31661 120 3PX 0.10533 0.00000 0.00000 0.00000 0.08894 121 3PY 0.00000 0.09958 0.00000 0.00000 0.00000 122 3PZ 0.00000 0.00000 0.10200 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00038 0.00000 124 4YY 0.00000 0.00000 0.00000 -0.00323 0.00000 125 4ZZ 0.00000 0.00000 0.00000 -0.00091 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 0.00033 0.00000 130 2S 0.00000 0.02296 0.00000 0.00284 0.00000 131 2PX 0.00014 0.00000 0.00000 0.00000 -0.00174 132 2PY 0.00000 0.07743 0.00000 0.02725 0.00000 133 2PZ 0.00000 0.00000 0.00027 0.00000 0.00000 134 3S 0.00000 0.02725 0.00000 -0.01130 0.00000 135 3PX -0.00174 0.00000 0.00000 0.00000 -0.00450 136 3PY 0.00000 0.03429 0.00000 0.01588 0.00000 137 3PZ 0.00000 0.00000 -0.00119 0.00000 0.00000 138 4XX 0.00000 -0.00059 0.00000 -0.00138 0.00000 139 4YY 0.00000 0.00253 0.00000 0.00379 0.00000 140 4ZZ 0.00000 -0.00062 0.00000 -0.00065 0.00000 141 4XY 0.00109 0.00000 0.00000 0.00000 0.00077 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00109 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 -0.00001 0.00000 145 2S -0.00002 -0.00011 -0.00002 -0.00053 -0.00025 146 2PX -0.00001 -0.00011 -0.00002 0.00050 0.00003 147 2PY -0.00002 -0.00027 -0.00003 -0.00351 -0.00004 148 2PZ -0.00002 -0.00006 -0.00001 -0.00080 -0.00033 149 3S 0.00030 -0.00115 -0.00023 -0.00131 0.00110 150 3PX 0.00004 -0.00077 -0.00017 0.00307 0.00056 151 3PY 0.00112 -0.00110 0.00066 -0.00620 0.00211 152 3PZ -0.00065 -0.00094 0.00002 -0.00390 -0.00136 153 4XX 0.00000 -0.00001 0.00000 -0.00008 0.00000 154 4YY 0.00000 0.00005 0.00000 0.00027 -0.00001 155 4ZZ 0.00000 -0.00001 0.00000 -0.00006 -0.00001 156 4XY 0.00000 0.00003 0.00000 0.00004 0.00000 157 4XZ 0.00000 -0.00001 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00002 0.00000 0.00003 0.00001 159 15 C 1S 0.00000 0.00000 0.00000 0.00002 0.00001 160 2S 0.00000 0.00000 -0.00001 -0.00042 -0.00016 161 2PX 0.00000 0.00001 -0.00001 -0.00012 -0.00001 162 2PY -0.00001 0.00001 -0.00002 -0.00033 -0.00039 163 2PZ 0.00000 -0.00002 0.00000 -0.00038 0.00004 164 3S -0.00067 -0.00021 -0.00082 -0.00472 -0.00270 165 3PX -0.00013 0.00023 -0.00037 -0.00083 0.00002 166 3PY -0.00021 0.00009 -0.00079 -0.00209 -0.00093 167 3PZ -0.00049 -0.00050 -0.00015 -0.00150 -0.00135 168 4XX 0.00000 0.00000 0.00000 0.00002 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00003 -0.00001 170 4ZZ 0.00000 0.00000 0.00000 -0.00003 0.00002 171 4XY 0.00000 0.00000 0.00000 -0.00002 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00001 0.00000 173 4YZ 0.00000 0.00000 0.00000 -0.00001 -0.00002 174 16 H 1S 0.00000 0.00000 0.00000 0.00008 0.00010 175 2S 0.00013 0.00001 0.00027 0.00142 0.00127 176 17 H 1S -0.00015 -0.00028 -0.00011 -0.00433 -0.00193 177 2S -0.00265 -0.00439 -0.00188 -0.01673 -0.00635 178 18 H 1S 0.00378 0.01178 0.08206 0.02945 0.00216 179 2S 0.00277 0.00736 0.05512 -0.00242 0.00260 180 19 H 1S -0.00001 -0.00033 -0.00012 -0.00129 -0.00003 181 2S -0.00019 -0.00489 -0.00166 -0.00249 -0.00029 182 20 H 1S 0.00000 0.00000 0.00000 0.00008 0.00000 183 2S 0.00002 0.00028 0.00002 0.00133 0.00008 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00001 -0.00003 186 22 H 1S 0.08143 0.00962 0.00595 0.03249 0.05357 187 2S 0.05295 0.00575 0.00400 0.00684 0.05341 188 23 H 1S -0.00014 -0.00033 -0.00001 -0.00222 -0.00148 189 2S -0.00158 -0.00474 -0.00023 -0.00949 -0.00415 121 122 123 124 125 121 3PY 0.08740 122 3PZ 0.00000 0.08364 123 4XX 0.00000 0.00000 0.00161 124 4YY 0.00000 0.00000 -0.00013 0.00123 125 4ZZ 0.00000 0.00000 -0.00022 -0.00010 0.00156 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 -0.00140 0.00000 0.00000 -0.00011 0.00000 130 2S 0.02012 0.00000 -0.00023 0.00253 -0.00022 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.03429 0.00000 -0.00059 0.00253 -0.00062 133 2PZ 0.00000 -0.00119 0.00000 0.00000 0.00000 134 3S 0.01588 0.00000 -0.00138 0.00379 -0.00065 135 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 3PY 0.01485 0.00000 -0.00137 0.00190 -0.00137 137 3PZ 0.00000 -0.00302 0.00000 0.00000 0.00000 138 4XX -0.00137 0.00000 0.00000 -0.00001 0.00000 139 4YY 0.00190 0.00000 -0.00001 -0.00003 -0.00002 140 4ZZ -0.00137 0.00000 0.00000 -0.00002 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 0.00071 0.00000 0.00000 0.00000 144 14 C 1S 0.00009 0.00000 0.00000 0.00000 0.00000 145 2S -0.00230 -0.00033 0.00000 0.00000 0.00000 146 2PX -0.00058 0.00000 0.00000 0.00000 0.00000 147 2PY -0.00465 -0.00042 0.00000 0.00001 0.00000 148 2PZ -0.00096 0.00003 0.00000 0.00001 0.00000 149 3S -0.00452 -0.00082 -0.00002 0.00002 0.00001 150 3PX -0.00001 -0.00002 0.00010 -0.00010 -0.00008 151 3PY -0.00397 0.00054 0.00000 0.00004 -0.00003 152 3PZ -0.00237 0.00059 -0.00002 0.00003 0.00003 153 4XX -0.00013 -0.00002 0.00000 0.00000 0.00000 154 4YY 0.00057 0.00002 0.00000 0.00000 0.00000 155 4ZZ -0.00012 0.00001 0.00000 0.00000 0.00000 156 4XY 0.00010 0.00001 0.00000 0.00000 0.00000 157 4XZ -0.00006 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00008 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00001 0.00001 0.00000 0.00000 0.00000 160 2S -0.00023 -0.00023 0.00000 0.00000 0.00000 161 2PX 0.00041 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00008 -0.00044 0.00000 0.00000 0.00000 163 2PZ -0.00088 -0.00001 0.00000 0.00000 0.00000 164 3S -0.00122 -0.00311 -0.00001 0.00001 0.00003 165 3PX 0.00171 -0.00033 0.00002 -0.00003 -0.00001 166 3PY -0.00003 -0.00223 -0.00005 0.00003 0.00002 167 3PZ -0.00233 -0.00045 -0.00002 -0.00001 0.00006 168 4XX 0.00000 0.00002 0.00000 0.00000 0.00000 169 4YY 0.00004 -0.00001 0.00000 0.00000 0.00000 170 4ZZ -0.00006 -0.00001 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ -0.00001 0.00001 0.00000 0.00000 0.00000 173 4YZ 0.00000 -0.00002 0.00000 0.00000 0.00000 174 16 H 1S 0.00002 0.00012 0.00000 0.00000 0.00000 175 2S 0.00016 0.00197 0.00000 0.00000 -0.00002 176 17 H 1S -0.00115 -0.00145 0.00000 0.00004 -0.00001 177 2S -0.00515 -0.00463 -0.00017 0.00064 -0.00018 178 18 H 1S 0.00757 0.05194 -0.00099 -0.00081 0.00520 179 2S 0.00718 0.05288 -0.00306 -0.00121 0.00568 180 19 H 1S -0.00262 -0.00133 0.00000 0.00002 0.00000 181 2S -0.00791 -0.00417 0.00024 -0.00015 -0.00007 182 20 H 1S 0.00023 0.00000 0.00000 0.00000 0.00000 183 2S 0.00299 0.00013 0.00000 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S -0.00001 -0.00009 0.00000 0.00000 0.00000 186 22 H 1S 0.00702 0.00302 0.00518 -0.00087 -0.00094 187 2S 0.00609 0.00313 0.00547 -0.00158 -0.00261 188 23 H 1S -0.00193 -0.00002 -0.00001 0.00003 0.00000 189 2S -0.00662 -0.00039 -0.00008 -0.00005 0.00021 126 127 128 129 130 126 4XY 0.00089 127 4XZ 0.00000 0.00065 128 4YZ 0.00000 0.00000 0.00095 129 13 C 1S 0.00000 0.00000 0.00000 2.05093 130 2S 0.00000 0.00000 0.00000 -0.01173 0.30675 131 2PX 0.00109 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 0.00109 0.00000 0.00000 134 3S 0.00000 0.00000 0.00000 -0.03468 0.23023 135 3PX 0.00077 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 0.00071 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 -0.00136 -0.00117 139 4YY 0.00000 0.00000 0.00000 -0.00123 -0.00373 140 4ZZ 0.00000 0.00000 0.00000 -0.00136 -0.00110 141 4XY -0.00014 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 -0.00015 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00020 145 2S 0.00001 0.00000 0.00000 -0.00020 0.00515 146 2PX 0.00000 0.00000 0.00001 -0.00048 0.00949 147 2PY 0.00002 0.00000 0.00001 -0.00024 0.00422 148 2PZ 0.00001 0.00000 0.00001 -0.00060 0.01170 149 3S 0.00001 -0.00001 0.00004 0.00005 0.00399 150 3PX 0.00000 0.00000 0.00005 -0.00012 0.00415 151 3PY 0.00000 0.00002 0.00002 -0.00021 0.00297 152 3PZ 0.00006 0.00000 0.00000 -0.00038 0.00603 153 4XX 0.00000 0.00000 0.00000 -0.00002 0.00042 154 4YY 0.00000 0.00000 0.00000 0.00001 -0.00028 155 4ZZ 0.00000 0.00000 0.00000 -0.00001 0.00022 156 4XY 0.00000 0.00000 0.00000 -0.00002 0.00037 157 4XZ 0.00000 0.00000 0.00000 -0.00007 0.00108 158 4YZ 0.00000 0.00000 0.00000 -0.00003 0.00043 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 -0.00006 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00014 164 3S 0.00001 -0.00003 0.00000 0.00002 -0.00047 165 3PX 0.00000 0.00000 0.00000 0.00006 -0.00094 166 3PY 0.00000 -0.00002 0.00002 0.00000 -0.00004 167 3PZ 0.00002 0.00000 -0.00001 0.00005 -0.00079 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 0.00000 0.00000 0.00000 0.00000 176 17 H 1S 0.00002 0.00000 0.00002 0.00000 0.00000 177 2S 0.00005 -0.00006 0.00005 0.00000 0.00006 178 18 H 1S 0.00006 0.00045 0.00199 0.00000 -0.00011 179 2S 0.00002 0.00009 0.00044 0.00010 -0.00182 180 19 H 1S 0.00000 0.00000 0.00006 -0.00165 0.02726 181 2S 0.00002 0.00000 0.00030 -0.00051 0.00973 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00012 183 2S 0.00000 0.00000 0.00000 0.00017 -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 0.00172 0.00078 0.00010 0.00000 -0.00013 187 2S 0.00038 0.00015 0.00003 0.00014 -0.00231 188 23 H 1S 0.00006 0.00000 0.00001 -0.00167 0.02754 189 2S 0.00029 0.00000 0.00003 -0.00062 0.01033 131 132 133 134 135 131 2PX 0.39946 132 2PY 0.00000 0.38112 133 2PZ 0.00000 0.00000 0.40015 134 3S 0.00000 0.00000 0.00000 0.31661 135 3PX 0.10534 0.00000 0.00000 0.00000 0.08895 136 3PY 0.00000 0.09958 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.10200 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00038 0.00000 139 4YY 0.00000 0.00000 0.00000 -0.00323 0.00000 140 4ZZ 0.00000 0.00000 0.00000 -0.00091 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 -0.00064 -0.00019 -0.00062 0.00028 -0.00067 145 2S 0.01324 0.00380 0.01221 0.00640 0.01063 146 2PX 0.00745 0.00742 0.01972 0.00841 -0.00107 147 2PY 0.00782 -0.00061 0.00705 0.01039 0.00493 148 2PZ 0.02214 0.00603 0.00976 0.01788 0.01371 149 3S 0.01012 0.00280 0.01394 -0.00481 0.00531 150 3PX -0.00083 0.00414 0.00690 -0.00513 -0.00501 151 3PY 0.00089 -0.00148 0.00184 0.00621 0.00062 152 3PZ 0.01048 0.00316 -0.00057 0.01216 0.00828 153 4XX -0.00061 0.00035 0.00093 0.00131 -0.00060 154 4YY -0.00027 -0.00006 -0.00028 -0.00156 -0.00062 155 4ZZ 0.00060 0.00030 -0.00077 0.00064 0.00079 156 4XY 0.00020 0.00004 0.00058 0.00018 0.00000 157 4XZ 0.00032 0.00059 0.00036 0.00073 0.00000 158 4YZ 0.00066 0.00003 0.00028 0.00027 0.00019 159 15 C 1S 0.00000 0.00000 0.00000 0.00004 0.00004 160 2S -0.00006 0.00000 -0.00018 -0.00071 -0.00086 161 2PX 0.00004 0.00000 -0.00015 -0.00205 0.00011 162 2PY 0.00000 0.00000 0.00000 0.00001 0.00003 163 2PZ -0.00026 0.00000 -0.00039 -0.00159 -0.00298 164 3S 0.00037 -0.00002 -0.00145 0.00196 0.00125 165 3PX 0.00033 0.00002 -0.00148 -0.00722 -0.00006 166 3PY -0.00004 0.00017 -0.00017 -0.00019 -0.00003 167 3PZ 0.00003 -0.00003 -0.00112 0.00182 -0.00127 168 4XX 0.00000 0.00000 0.00001 0.00005 0.00003 169 4YY 0.00000 0.00000 0.00000 -0.00012 -0.00008 170 4ZZ 0.00003 0.00000 0.00004 0.00023 0.00023 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00002 0.00000 0.00004 0.00007 0.00004 173 4YZ 0.00000 0.00000 0.00000 -0.00001 -0.00001 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00001 -0.00003 176 17 H 1S 0.00000 0.00000 0.00000 0.00008 0.00000 177 2S 0.00002 0.00028 0.00002 0.00133 0.00008 178 18 H 1S -0.00001 -0.00033 -0.00012 -0.00129 -0.00003 179 2S -0.00019 -0.00489 -0.00166 -0.00249 -0.00029 180 19 H 1S 0.00377 0.01178 0.08207 0.02945 0.00216 181 2S 0.00277 0.00736 0.05512 -0.00242 0.00260 182 20 H 1S -0.00015 -0.00028 -0.00011 -0.00433 -0.00193 183 2S -0.00265 -0.00439 -0.00188 -0.01673 -0.00635 184 21 H 1S 0.00000 0.00000 0.00000 0.00008 0.00010 185 2S 0.00013 0.00001 0.00027 0.00142 0.00127 186 22 H 1S -0.00014 -0.00033 -0.00001 -0.00222 -0.00148 187 2S -0.00158 -0.00474 -0.00023 -0.00949 -0.00415 188 23 H 1S 0.08143 0.00962 0.00595 0.03249 0.05357 189 2S 0.05295 0.00575 0.00401 0.00684 0.05341 136 137 138 139 140 136 3PY 0.08740 137 3PZ 0.00000 0.08364 138 4XX 0.00000 0.00000 0.00161 139 4YY 0.00000 0.00000 -0.00013 0.00123 140 4ZZ 0.00000 0.00000 -0.00022 -0.00010 0.00156 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 -0.00022 -0.00061 -0.00001 0.00000 -0.00001 145 2S 0.00175 0.01010 0.00020 -0.00018 0.00030 146 2PX 0.00522 0.01285 -0.00058 -0.00015 0.00102 147 2PY 0.00043 0.00454 0.00027 -0.00006 0.00026 148 2PZ 0.00356 -0.00081 0.00081 -0.00016 -0.00066 149 3S 0.00027 0.00942 0.00088 -0.00033 -0.00007 150 3PX 0.00442 0.00661 -0.00132 0.00012 0.00173 151 3PY -0.00069 0.00083 0.00038 -0.00035 0.00001 152 3PZ 0.00153 -0.00343 0.00124 -0.00033 -0.00087 153 4XX 0.00037 0.00097 0.00005 -0.00003 -0.00010 154 4YY -0.00036 -0.00059 -0.00002 0.00002 -0.00004 155 4ZZ 0.00021 -0.00074 -0.00009 -0.00003 0.00005 156 4XY 0.00009 0.00014 -0.00001 0.00000 -0.00002 157 4XZ 0.00017 0.00000 0.00003 -0.00004 -0.00001 158 4YZ 0.00005 0.00000 -0.00001 0.00000 -0.00002 159 15 C 1S 0.00000 0.00012 0.00000 0.00000 0.00000 160 2S 0.00003 -0.00201 0.00000 0.00000 0.00002 161 2PX 0.00004 -0.00037 -0.00001 0.00000 0.00006 162 2PY 0.00013 -0.00001 0.00000 0.00000 0.00000 163 2PZ 0.00007 -0.00290 0.00001 0.00000 0.00004 164 3S 0.00007 -0.00137 -0.00003 -0.00007 0.00018 165 3PX 0.00009 -0.00113 -0.00023 0.00001 0.00049 166 3PY 0.00106 -0.00025 -0.00001 0.00000 0.00002 167 3PZ 0.00000 -0.00149 0.00016 -0.00010 0.00005 168 4XX 0.00000 0.00014 0.00000 0.00000 0.00000 169 4YY 0.00000 -0.00013 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00024 0.00000 0.00000 0.00000 171 4XY 0.00002 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00016 0.00000 0.00000 0.00000 173 4YZ -0.00006 -0.00001 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S -0.00001 -0.00009 0.00000 0.00000 0.00000 176 17 H 1S 0.00023 0.00000 0.00000 0.00000 0.00000 177 2S 0.00299 0.00013 0.00000 0.00000 0.00000 178 18 H 1S -0.00262 -0.00133 0.00000 0.00002 0.00000 179 2S -0.00791 -0.00417 0.00024 -0.00015 -0.00007 180 19 H 1S 0.00756 0.05195 -0.00099 -0.00081 0.00520 181 2S 0.00717 0.05288 -0.00306 -0.00121 0.00568 182 20 H 1S -0.00115 -0.00145 0.00000 0.00004 -0.00001 183 2S -0.00515 -0.00463 -0.00017 0.00064 -0.00018 184 21 H 1S 0.00002 0.00012 0.00000 0.00000 0.00000 185 2S 0.00016 0.00196 0.00000 0.00000 -0.00002 186 22 H 1S -0.00193 -0.00002 -0.00001 0.00003 0.00000 187 2S -0.00662 -0.00039 -0.00008 -0.00005 0.00021 188 23 H 1S 0.00702 0.00302 0.00518 -0.00087 -0.00094 189 2S 0.00608 0.00313 0.00547 -0.00159 -0.00261 141 142 143 144 145 141 4XY 0.00089 142 4XZ 0.00000 0.00065 143 4YZ 0.00000 0.00000 0.00095 144 14 C 1S -0.00003 -0.00007 -0.00003 2.05494 145 2S 0.00045 0.00120 0.00043 -0.01338 0.32600 146 2PX 0.00019 0.00038 0.00066 0.00000 0.00000 147 2PY 0.00003 0.00065 0.00003 0.00000 0.00000 148 2PZ 0.00068 0.00044 0.00025 0.00000 0.00000 149 3S 0.00016 0.00057 0.00022 -0.03626 0.23449 150 3PX 0.00000 0.00000 0.00015 0.00000 0.00000 151 3PY 0.00014 0.00006 0.00011 0.00000 0.00000 152 3PZ 0.00018 0.00000 0.00000 0.00000 0.00000 153 4XX -0.00003 -0.00003 0.00001 -0.00092 -0.00901 154 4YY 0.00000 -0.00002 0.00000 -0.00146 0.00117 155 4ZZ 0.00000 -0.00002 -0.00003 -0.00109 -0.00530 156 4XY 0.00000 0.00002 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00002 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 -0.00055 160 2S 0.00000 0.00000 0.00000 -0.00060 0.01175 161 2PX 0.00000 0.00000 0.00000 -0.00008 0.00109 162 2PY 0.00000 0.00000 0.00000 -0.00064 0.00957 163 2PZ 0.00000 0.00003 0.00000 -0.00230 0.03310 164 3S 0.00000 0.00002 0.00000 0.00057 0.00549 165 3PX 0.00000 0.00000 0.00000 0.00019 -0.00087 166 3PY -0.00002 0.00000 -0.00005 -0.00040 0.00362 167 3PZ 0.00000 0.00008 0.00000 -0.00061 0.01568 168 4XX 0.00000 0.00000 0.00000 0.00001 -0.00036 169 4YY 0.00000 0.00000 0.00000 0.00001 -0.00045 170 4ZZ 0.00000 0.00000 0.00000 -0.00012 0.00170 171 4XY 0.00000 0.00000 0.00000 -0.00001 0.00010 172 4XZ 0.00000 0.00000 0.00000 -0.00002 0.00017 173 4YZ 0.00000 0.00000 0.00000 -0.00014 0.00145 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 0.00000 0.00000 0.00002 178 18 H 1S 0.00000 0.00000 0.00006 0.00000 0.00000 179 2S 0.00002 0.00000 0.00030 0.00000 0.00008 180 19 H 1S 0.00006 0.00045 0.00199 0.00000 -0.00014 181 2S 0.00002 0.00009 0.00044 0.00018 -0.00271 182 20 H 1S 0.00002 0.00000 0.00002 -0.00197 0.03104 183 2S 0.00005 -0.00006 0.00005 -0.00122 0.01265 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00021 185 2S 0.00000 0.00000 0.00000 0.00026 -0.00353 186 22 H 1S 0.00006 0.00000 0.00001 0.00000 0.00000 187 2S 0.00029 0.00000 0.00003 0.00000 0.00006 188 23 H 1S 0.00172 0.00078 0.00010 0.00000 -0.00018 189 2S 0.00038 0.00015 0.00003 0.00017 -0.00314 146 147 148 149 150 146 2PX 0.34895 147 2PY 0.00000 0.41139 148 2PZ 0.00000 0.00000 0.39186 149 3S 0.00000 0.00000 0.00000 0.29355 150 3PX 0.11484 0.00000 0.00000 0.00000 0.13458 151 3PY 0.00000 0.07561 0.00000 0.00000 0.00000 152 3PZ 0.00000 0.00000 0.09433 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 -0.00634 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00257 0.00000 155 4ZZ 0.00000 0.00000 0.00000 -0.00501 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 -0.00010 -0.00069 -0.00217 -0.00073 0.00003 160 2S 0.00159 0.00979 0.03226 0.01369 -0.00012 161 2PX 0.01557 -0.00035 0.01190 0.00012 0.02857 162 2PY 0.00035 -0.00036 0.02709 0.00626 -0.00001 163 2PZ 0.00939 0.02653 0.03732 0.03439 0.00427 164 3S 0.00073 0.01080 0.01333 -0.01157 0.00067 165 3PX 0.02580 -0.00098 0.00536 -0.00246 0.04679 166 3PY -0.00025 0.00131 0.01498 0.00205 -0.00111 167 3PZ 0.00447 0.00875 0.00074 0.01608 0.00457 168 4XX 0.00004 -0.00019 -0.00062 -0.00084 -0.00011 169 4YY -0.00002 -0.00027 -0.00070 -0.00065 -0.00014 170 4ZZ 0.00041 0.00200 -0.00077 0.00205 0.00052 171 4XY 0.00035 0.00000 0.00029 0.00005 0.00034 172 4XZ 0.00110 0.00021 0.00021 0.00000 0.00069 173 4YZ 0.00028 -0.00003 0.00176 0.00074 0.00003 174 16 H 1S 0.00000 0.00000 0.00000 0.00011 0.00000 175 2S -0.00001 0.00019 0.00034 0.00160 -0.00013 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00006 0.00000 0.00022 0.00003 178 18 H 1S 0.00000 0.00000 0.00000 0.00005 0.00000 179 2S 0.00000 0.00015 0.00016 0.00050 -0.00026 180 19 H 1S -0.00004 0.00000 -0.00050 -0.00280 0.00059 181 2S 0.00023 -0.00011 -0.00842 -0.01128 0.00426 182 20 H 1S 0.00168 0.09663 0.00025 0.04211 0.00016 183 2S 0.00087 0.06397 -0.00001 0.02299 -0.00061 184 21 H 1S -0.00005 0.00000 -0.00066 -0.00370 0.00035 185 2S -0.00095 0.00000 -0.01002 -0.01436 0.00090 186 22 H 1S 0.00000 0.00000 0.00000 -0.00003 0.00020 187 2S 0.00021 0.00010 0.00001 -0.00016 0.00182 188 23 H 1S -0.00038 -0.00001 -0.00009 -0.00075 -0.00497 189 2S -0.00668 -0.00010 -0.00069 -0.00116 -0.01771 151 152 153 154 155 151 3PY 0.05435 152 3PZ 0.00000 0.08689 153 4XX 0.00000 0.00000 0.00127 154 4YY 0.00000 0.00000 -0.00013 0.00185 155 4ZZ 0.00000 0.00000 0.00007 -0.00028 0.00134 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 -0.00067 -0.00155 0.00001 0.00002 -0.00014 160 2S 0.00768 0.01812 -0.00053 -0.00046 0.00189 161 2PX -0.00075 0.00651 0.00006 -0.00001 0.00050 162 2PY -0.00083 0.01220 -0.00020 -0.00025 0.00199 163 2PZ 0.01065 0.00354 -0.00091 -0.00035 -0.00092 164 3S 0.00480 0.00210 -0.00040 -0.00145 0.00253 165 3PX -0.00117 0.00505 -0.00018 -0.00002 0.00049 166 3PY 0.00079 0.01101 -0.00046 -0.00041 0.00106 167 3PZ 0.00413 0.00065 -0.00021 -0.00028 -0.00076 168 4XX -0.00027 -0.00018 0.00002 0.00000 -0.00002 169 4YY -0.00054 -0.00048 -0.00001 0.00004 -0.00012 170 4ZZ 0.00077 -0.00084 0.00001 -0.00017 0.00004 171 4XY 0.00000 0.00009 0.00000 0.00000 -0.00002 172 4XZ 0.00000 0.00003 0.00000 -0.00004 0.00005 173 4YZ 0.00005 0.00010 -0.00005 0.00001 -0.00009 174 16 H 1S 0.00005 0.00019 0.00000 0.00000 0.00000 175 2S 0.00099 0.00242 0.00000 -0.00002 0.00001 176 17 H 1S -0.00002 0.00000 0.00000 0.00000 0.00000 177 2S -0.00012 0.00001 0.00000 0.00000 0.00000 178 18 H 1S -0.00004 0.00007 0.00000 0.00000 0.00000 179 2S -0.00014 0.00109 0.00001 -0.00002 0.00000 180 19 H 1S 0.00001 -0.00303 -0.00001 0.00000 0.00011 181 2S -0.00019 -0.01434 -0.00034 -0.00014 0.00103 182 20 H 1S 0.04339 0.00025 -0.00100 0.00749 -0.00121 183 2S 0.04211 -0.00009 -0.00193 0.00678 -0.00286 184 21 H 1S -0.00008 -0.00328 0.00001 -0.00001 0.00009 185 2S -0.00023 -0.01419 0.00032 -0.00036 0.00050 186 22 H 1S -0.00011 0.00004 0.00000 0.00000 0.00000 187 2S -0.00020 0.00028 0.00000 -0.00002 0.00001 188 23 H 1S 0.00025 -0.00047 0.00013 0.00000 -0.00001 189 2S 0.00063 0.00030 0.00093 -0.00012 -0.00025 156 157 158 159 160 156 4XY 0.00038 157 4XZ 0.00000 0.00090 158 4YZ 0.00000 0.00000 0.00071 159 15 C 1S -0.00001 -0.00002 -0.00013 2.05282 160 2S 0.00009 0.00017 0.00141 -0.01370 0.32755 161 2PX 0.00029 0.00134 0.00027 0.00000 0.00000 162 2PY 0.00000 0.00012 -0.00004 0.00000 0.00000 163 2PZ 0.00026 0.00019 0.00193 0.00000 0.00000 164 3S 0.00003 0.00004 0.00037 -0.02917 0.19680 165 3PX 0.00021 0.00103 0.00002 0.00000 0.00000 166 3PY -0.00001 -0.00002 -0.00001 0.00000 0.00000 167 3PZ 0.00004 0.00003 0.00005 0.00000 0.00000 168 4XX 0.00000 0.00000 -0.00004 -0.00098 -0.00926 169 4YY 0.00000 -0.00002 0.00000 -0.00134 -0.00220 170 4ZZ 0.00000 0.00004 -0.00008 -0.00141 -0.00118 171 4XY 0.00000 -0.00001 0.00000 0.00000 0.00000 172 4XZ 0.00002 -0.00003 -0.00001 0.00000 0.00000 173 4YZ 0.00000 -0.00003 0.00002 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 -0.00255 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 0.00002 0.00000 0.00000 0.00000 181 2S -0.00001 -0.00005 -0.00003 0.00000 0.00014 182 20 H 1S 0.00018 0.00001 0.00002 0.00000 -0.00019 183 2S 0.00003 0.00000 0.00001 0.00019 -0.00279 184 21 H 1S 0.00000 0.00003 -0.00001 -0.00201 0.03151 185 2S 0.00000 0.00013 -0.00004 -0.00121 0.01248 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S -0.00001 0.00000 0.00000 0.00000 0.00001 188 23 H 1S 0.00000 0.00003 0.00000 0.00000 0.00000 189 2S -0.00002 0.00001 -0.00001 0.00000 -0.00004 161 162 163 164 165 161 2PX 0.35515 162 2PY 0.00000 0.41443 163 2PZ 0.00000 0.00000 0.40211 164 3S 0.00000 0.00000 0.00000 0.23666 165 3PX 0.12497 0.00000 0.00000 0.00000 0.14682 166 3PY 0.00000 0.07776 0.00000 0.00000 0.00000 167 3PZ 0.00000 0.00000 0.06992 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 -0.00540 0.00000 169 4YY 0.00000 0.00000 0.00000 -0.00177 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00010 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 -0.00001 -0.00057 -0.00013 -0.00414 0.00006 175 2S -0.00037 -0.00815 -0.00201 -0.01645 -0.00018 176 17 H 1S 0.00000 0.00000 0.00000 0.00014 0.00000 177 2S 0.00000 0.00052 0.00003 0.00203 -0.00002 178 18 H 1S 0.00000 0.00000 0.00000 0.00001 0.00000 179 2S 0.00000 0.00000 -0.00001 0.00032 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00005 0.00007 181 2S 0.00018 0.00002 0.00021 0.00085 0.00129 182 20 H 1S 0.00000 -0.00048 -0.00026 -0.00397 0.00003 183 2S 0.00008 -0.00661 -0.00295 -0.01341 0.00029 184 21 H 1S 0.01630 0.02421 0.05811 0.04222 0.00788 185 2S 0.01123 0.01528 0.03818 0.03625 0.00865 186 22 H 1S 0.00000 0.00000 0.00000 0.00004 0.00007 187 2S 0.00010 -0.00001 -0.00002 0.00062 0.00138 188 23 H 1S -0.00001 0.00000 0.00000 -0.00013 -0.00083 189 2S -0.00059 0.00000 0.00019 -0.00096 -0.00342 166 167 168 169 170 166 3PY 0.05806 167 3PZ 0.00000 0.05819 168 4XX 0.00000 0.00000 0.00073 169 4YY 0.00000 0.00000 0.00004 0.00115 170 4ZZ 0.00000 0.00000 0.00008 -0.00018 0.00110 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 -0.00333 0.00017 0.00000 0.00002 0.00000 175 2S -0.01333 0.00033 0.00010 -0.00017 0.00015 176 17 H 1S 0.00034 -0.00001 0.00000 0.00000 0.00000 177 2S 0.00381 0.00011 0.00000 -0.00001 0.00000 178 18 H 1S 0.00002 0.00001 0.00000 0.00000 0.00000 179 2S 0.00031 0.00023 0.00000 0.00000 0.00000 180 19 H 1S 0.00004 0.00006 0.00000 0.00000 0.00000 181 2S 0.00040 0.00019 0.00000 0.00000 -0.00002 182 20 H 1S -0.00003 -0.00158 0.00000 0.00009 -0.00003 183 2S -0.00224 -0.00516 0.00000 0.00098 -0.00058 184 21 H 1S 0.00986 0.02403 -0.00036 -0.00080 0.00180 185 2S 0.00743 0.01856 0.00032 -0.00129 0.00240 186 22 H 1S -0.00002 0.00004 0.00000 0.00000 0.00000 187 2S -0.00036 -0.00003 0.00000 0.00000 0.00000 188 23 H 1S -0.00001 0.00002 0.00000 0.00000 0.00000 189 2S -0.00002 0.00000 0.00000 0.00000 0.00001 171 172 173 174 175 171 4XY 0.00077 172 4XZ 0.00000 0.00070 173 4YZ 0.00000 0.00000 0.00134 174 16 H 1S 0.00002 0.00000 0.00006 0.21724 175 2S 0.00009 0.00000 0.00029 0.11526 0.16429 176 17 H 1S 0.00000 0.00000 0.00000 -0.00002 -0.00105 177 2S 0.00000 0.00000 -0.00001 -0.00108 -0.00576 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00000 0.00000 0.00000 -0.00018 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 0.00000 0.00000 0.00006 0.00000 0.00000 183 2S 0.00001 -0.00001 0.00016 0.00000 -0.00014 184 21 H 1S 0.00071 0.00150 0.00268 -0.00001 -0.00090 185 2S 0.00016 0.00026 0.00061 -0.00090 -0.00524 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S -0.00001 0.00000 0.00000 0.00000 -0.00006 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S -0.00001 -0.00003 0.00000 0.00000 0.00000 176 177 178 179 180 176 17 H 1S 0.21689 177 2S 0.11507 0.16312 178 18 H 1S -0.00001 -0.00029 0.21677 179 2S -0.00039 -0.00053 0.11803 0.17241 180 19 H 1S 0.00000 0.00000 -0.00004 -0.00166 0.21677 181 2S 0.00000 -0.00016 -0.00166 -0.00812 0.11803 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 183 2S 0.00000 0.00000 0.00000 -0.00016 -0.00029 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 -0.00011 -0.00052 -0.00875 0.00000 187 2S -0.00016 -0.00027 -0.00805 -0.02613 0.00037 188 23 H 1S 0.00000 0.00000 0.00000 0.00043 -0.00052 189 2S 0.00000 -0.00010 0.00037 0.00391 -0.00805 181 182 183 184 185 181 2S 0.17240 182 20 H 1S -0.00039 0.21689 183 2S -0.00053 0.11507 0.16313 184 21 H 1S 0.00000 -0.00002 -0.00108 0.21724 185 2S -0.00018 -0.00105 -0.00576 0.11525 0.16429 186 22 H 1S 0.00043 0.00000 0.00000 0.00000 0.00000 187 2S 0.00391 0.00000 -0.00010 0.00000 0.00000 188 23 H 1S -0.00875 0.00000 -0.00010 0.00000 0.00000 189 2S -0.02613 -0.00016 -0.00027 0.00000 -0.00006 186 187 188 189 186 22 H 1S 0.21519 187 2S 0.11332 0.15965 188 23 H 1S -0.00005 -0.00190 0.21519 189 2S -0.00190 -0.00682 0.11332 0.15965 Gross orbital populations: 1 1 1 C 1S 1.99220 2 2S 0.70368 3 2PX 0.60644 4 2PY 0.75456 5 2PZ 0.64392 6 3S 0.48907 7 3PX 0.27374 8 3PY 0.17607 9 3PZ 0.24779 10 4XX -0.00674 11 4YY 0.00492 12 4ZZ -0.00147 13 4XY 0.01211 14 4XZ 0.01183 15 4YZ 0.01347 16 2 C 1S 1.99220 17 2S 0.70368 18 2PX 0.60644 19 2PY 0.75458 20 2PZ 0.64391 21 3S 0.48907 22 3PX 0.27373 23 3PY 0.17607 24 3PZ 0.24779 25 4XX -0.00674 26 4YY 0.00492 27 4ZZ -0.00147 28 4XY 0.01211 29 4XZ 0.01183 30 4YZ 0.01347 31 3 C 1S 1.99194 32 2S 0.71161 33 2PX 0.67632 34 2PY 0.53364 35 2PZ 0.77482 36 3S 0.44897 37 3PX 0.18880 38 3PY 0.10122 39 3PZ 0.28845 40 4XX 0.00762 41 4YY 0.00402 42 4ZZ 0.01050 43 4XY 0.02513 44 4XZ 0.01633 45 4YZ 0.01270 46 4 O 1S 1.99235 47 2S 0.89849 48 2PX 0.90462 49 2PY 0.96624 50 2PZ 1.04402 51 3S 1.01131 52 3PX 0.48633 53 3PY 0.56110 54 3PZ 0.60066 55 4XX 0.00299 56 4YY -0.00142 57 4ZZ -0.00756 58 4XY 0.00877 59 4XZ 0.00462 60 4YZ 0.00584 61 5 H 1S 0.52886 62 2S 0.31107 63 6 H 1S 0.52886 64 2S 0.31107 65 7 H 1S 0.54065 66 2S 0.33334 67 8 O 1S 1.99235 68 2S 0.89849 69 2PX 0.90462 70 2PY 0.96624 71 2PZ 1.04402 72 3S 1.01130 73 3PX 0.48633 74 3PY 0.56109 75 3PZ 0.60066 76 4XX 0.00299 77 4YY -0.00142 78 4ZZ -0.00756 79 4XY 0.00877 80 4XZ 0.00462 81 4YZ 0.00584 82 9 H 1S 0.54104 83 2S 0.30638 84 10 C 1S 1.99196 85 2S 0.70788 86 2PX 0.60696 87 2PY 0.74878 88 2PZ 0.72128 89 3S 0.49775 90 3PX 0.40281 91 3PY 0.20001 92 3PZ 0.21534 93 4XX -0.01975 94 4YY 0.00166 95 4ZZ 0.00312 96 4XY 0.00646 97 4XZ 0.00532 98 4YZ 0.01200 99 11 C 1S 1.99262 100 2S 0.70375 101 2PX 0.60226 102 2PY 0.72574 103 2PZ 0.69717 104 3S 0.58678 105 3PX 0.33971 106 3PY 0.24543 107 3PZ 0.24618 108 4XX -0.01606 109 4YY 0.01166 110 4ZZ -0.00554 111 4XY 0.00345 112 4XZ 0.00783 113 4YZ 0.00693 114 12 C 1S 1.99218 115 2S 0.68146 116 2PX 0.70887 117 2PY 0.68425 118 2PZ 0.71024 119 3S 0.58576 120 3PX 0.31162 121 3PY 0.27243 122 3PZ 0.30475 123 4XX 0.00442 124 4YY -0.00230 125 4ZZ 0.00462 126 4XY 0.00713 127 4XZ 0.00536 128 4YZ 0.00752 129 13 C 1S 1.99218 130 2S 0.68146 131 2PX 0.70886 132 2PY 0.68425 133 2PZ 0.71024 134 3S 0.58576 135 3PX 0.31162 136 3PY 0.27242 137 3PZ 0.30475 138 4XX 0.00442 139 4YY -0.00230 140 4ZZ 0.00462 141 4XY 0.00713 142 4XZ 0.00535 143 4YZ 0.00752 144 14 C 1S 1.99262 145 2S 0.70375 146 2PX 0.60226 147 2PY 0.72573 148 2PZ 0.69718 149 3S 0.58679 150 3PX 0.33970 151 3PY 0.24543 152 3PZ 0.24618 153 4XX -0.01606 154 4YY 0.01166 155 4ZZ -0.00554 156 4XY 0.00345 157 4XZ 0.00783 158 4YZ 0.00693 159 15 C 1S 1.99196 160 2S 0.70788 161 2PX 0.60696 162 2PY 0.74878 163 2PZ 0.72129 164 3S 0.49775 165 3PX 0.40281 166 3PY 0.20003 167 3PZ 0.21532 168 4XX -0.01975 169 4YY 0.00166 170 4ZZ 0.00312 171 4XY 0.00646 172 4XZ 0.00532 173 4YZ 0.01200 174 16 H 1S 0.53326 175 2S 0.34345 176 17 H 1S 0.53316 177 2S 0.34211 178 18 H 1S 0.53342 179 2S 0.33924 180 19 H 1S 0.53342 181 2S 0.33924 182 20 H 1S 0.53316 183 2S 0.34212 184 21 H 1S 0.53326 185 2S 0.34344 186 22 H 1S 0.52925 187 2S 0.32172 188 23 H 1S 0.52925 189 2S 0.32172 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 4.925822 0.511381 -0.062514 0.232652 0.363413 -0.045550 2 C 0.511381 4.925837 -0.062514 -0.040898 -0.045550 0.363411 3 C -0.062514 -0.062514 4.653401 0.265669 0.005511 0.005511 4 O 0.232652 -0.040898 0.265669 8.198872 -0.034866 0.002095 5 H 0.363413 -0.045550 0.005511 -0.034866 0.566952 -0.000242 6 H -0.045550 0.363411 0.005511 0.002095 -0.000242 0.566947 7 H 0.005053 0.005053 0.344925 -0.050472 0.000721 0.000721 8 O -0.040897 0.232649 0.265671 -0.046016 0.002095 -0.034866 9 H 0.005086 0.005086 0.370047 -0.034080 -0.000316 -0.000316 10 C -0.027139 -0.014277 0.002094 0.002495 0.001155 -0.000241 11 C -0.005099 0.108678 0.001062 -0.000063 0.001566 -0.025383 12 C -0.008676 -0.016330 0.000003 0.000172 0.000177 -0.002067 13 C -0.016332 -0.008677 0.000003 0.000367 -0.002065 0.000177 14 C 0.108684 -0.005098 0.001062 -0.020446 -0.025387 0.001566 15 C -0.014279 -0.027138 0.002093 0.001625 -0.000242 0.001155 16 H 0.000247 0.000046 0.000109 -0.000013 0.000012 -0.000105 17 H 0.000944 -0.008925 -0.000074 -0.000014 -0.000045 0.000007 18 H 0.000464 -0.005290 -0.000011 -0.000004 -0.000511 0.007914 19 H -0.005287 0.000464 -0.000011 0.000142 0.007910 -0.000510 20 H -0.008925 0.000944 -0.000074 0.000694 0.000007 -0.000045 21 H 0.000046 0.000247 0.000109 0.000455 -0.000105 0.000012 22 H 0.000388 0.002106 0.000000 -0.000001 0.000014 -0.000275 23 H 0.002106 0.000388 0.000000 -0.000024 -0.000275 0.000014 7 8 9 10 11 12 1 C 0.005053 -0.040897 0.005086 -0.027139 -0.005099 -0.008676 2 C 0.005053 0.232649 0.005086 -0.014277 0.108678 -0.016330 3 C 0.344925 0.265671 0.370047 0.002094 0.001062 0.000003 4 O -0.050472 -0.046016 -0.034080 0.002495 -0.000063 0.000172 5 H 0.000721 0.002095 -0.000316 0.001155 0.001566 0.000177 6 H 0.000721 -0.034866 -0.000316 -0.000241 -0.025383 -0.002067 7 H 0.685957 -0.050473 -0.067646 0.000173 -0.000104 0.000003 8 O -0.050473 8.198869 -0.034080 0.001624 -0.020445 0.000367 9 H -0.067646 -0.034080 0.603072 -0.000027 0.000223 -0.000003 10 C 0.000173 0.001624 -0.000027 4.863731 0.567567 -0.024796 11 C -0.000104 -0.020445 0.000223 0.567567 4.996733 0.371242 12 C 0.000003 0.000367 -0.000003 -0.024796 0.371242 5.075080 13 C 0.000003 0.000172 -0.000003 -0.030117 -0.035092 0.329149 14 C -0.000104 -0.000063 0.000223 -0.040453 -0.023076 -0.035089 15 C 0.000173 0.002495 -0.000027 0.513840 -0.040451 -0.030118 16 H 0.000002 0.000455 0.000088 0.366954 -0.049076 0.005622 17 H 0.000000 0.000695 0.000003 -0.038390 0.361728 -0.053191 18 H 0.000001 0.000142 -0.000001 0.003489 -0.037711 0.356910 19 H 0.000001 -0.000004 -0.000001 0.000899 0.001629 -0.028744 20 H 0.000000 -0.000014 0.000003 0.007059 0.000197 0.005215 21 H 0.000002 -0.000013 0.000088 -0.050069 0.005863 -0.000116 22 H 0.000000 -0.000024 0.000000 -0.005805 -0.034289 0.368640 23 H 0.000000 -0.000001 0.000000 0.001828 0.002205 -0.035154 13 14 15 16 17 18 1 C -0.016332 0.108684 -0.014279 0.000247 0.000944 0.000464 2 C -0.008677 -0.005098 -0.027138 0.000046 -0.008925 -0.005290 3 C 0.000003 0.001062 0.002093 0.000109 -0.000074 -0.000011 4 O 0.000367 -0.020446 0.001625 -0.000013 -0.000014 -0.000004 5 H -0.002065 -0.025387 -0.000242 0.000012 -0.000045 -0.000511 6 H 0.000177 0.001566 0.001155 -0.000105 0.000007 0.007914 7 H 0.000003 -0.000104 0.000173 0.000002 0.000000 0.000001 8 O 0.000172 -0.000063 0.002495 0.000455 0.000695 0.000142 9 H -0.000003 0.000223 -0.000027 0.000088 0.000003 -0.000001 10 C -0.030117 -0.040453 0.513840 0.366954 -0.038390 0.003489 11 C -0.035092 -0.023076 -0.040451 -0.049076 0.361728 -0.037711 12 C 0.329149 -0.035089 -0.030118 0.005622 -0.053191 0.356910 13 C 5.075080 0.371237 -0.024796 -0.000116 0.005215 -0.028744 14 C 0.371237 4.996757 0.567554 0.005863 0.000197 0.001628 15 C -0.024796 0.567554 4.863745 -0.050071 0.007059 0.000899 16 H -0.000116 0.005863 -0.050071 0.612036 -0.007911 -0.000185 17 H 0.005215 0.000197 0.007059 -0.007911 0.610155 -0.001211 18 H -0.028744 0.001628 0.000899 -0.000185 -0.001211 0.625252 19 H 0.356912 -0.037707 0.003490 0.000016 -0.000165 -0.011487 20 H -0.053191 0.361728 -0.038391 -0.000146 -0.000003 -0.000165 21 H 0.005622 -0.049076 0.366954 -0.007056 -0.000146 0.000016 22 H -0.035153 0.002206 0.001827 -0.000064 -0.000543 -0.043451 23 H 0.368642 -0.034291 -0.005807 -0.000002 -0.000109 0.004712 19 20 21 22 23 1 C -0.005287 -0.008925 0.000046 0.000388 0.002106 2 C 0.000464 0.000944 0.000247 0.002106 0.000388 3 C -0.000011 -0.000074 0.000109 0.000000 0.000000 4 O 0.000142 0.000694 0.000455 -0.000001 -0.000024 5 H 0.007910 0.000007 -0.000105 0.000014 -0.000275 6 H -0.000510 -0.000045 0.000012 -0.000275 0.000014 7 H 0.000001 0.000000 0.000002 0.000000 0.000000 8 O -0.000004 -0.000014 -0.000013 -0.000024 -0.000001 9 H -0.000001 0.000003 0.000088 0.000000 0.000000 10 C 0.000899 0.007059 -0.050069 -0.005805 0.001828 11 C 0.001629 0.000197 0.005863 -0.034289 0.002205 12 C -0.028744 0.005215 -0.000116 0.368640 -0.035154 13 C 0.356912 -0.053191 0.005622 -0.035153 0.368642 14 C -0.037707 0.361728 -0.049076 0.002206 -0.034291 15 C 0.003490 -0.038391 0.366954 0.001827 -0.005807 16 H 0.000016 -0.000146 -0.007056 -0.000064 -0.000002 17 H -0.000165 -0.000003 -0.000146 -0.000543 -0.000109 18 H -0.011487 -0.000165 0.000016 -0.043451 0.004712 19 H 0.625242 -0.001212 -0.000185 0.004711 -0.043449 20 H -0.001212 0.610158 -0.007911 -0.000109 -0.000542 21 H -0.000185 -0.007911 0.612032 -0.000002 -0.000064 22 H 0.004711 -0.000109 -0.000002 0.601477 -0.010679 23 H -0.043449 -0.000542 -0.000064 -0.010679 0.601472 Mulliken charges: 1 1 C 0.078412 2 C 0.078407 3 C 0.207925 4 O -0.478339 5 H 0.160069 6 H 0.160069 7 H 0.126013 8 O -0.478335 9 H 0.152579 10 C -0.101594 11 C -0.147903 12 C -0.278294 13 C -0.278293 14 C -0.147913 15 C -0.101590 16 H 0.123297 17 H 0.124724 18 H 0.127344 19 H 0.127346 20 H 0.124723 21 H 0.123299 22 H 0.149024 23 H 0.149028 Sum of Mulliken charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C 0.238481 2 C 0.238476 3 C 0.486517 4 O -0.478339 8 O -0.478335 10 C 0.021704 11 C -0.023178 12 C -0.001926 13 C -0.001918 14 C -0.023191 15 C 0.021709 APT charges: 1 1 C 0.311542 2 C 0.311544 3 C 0.812942 4 O -0.647131 5 H 0.010278 6 H 0.010280 7 H -0.128397 8 O -0.647133 9 H -0.052741 10 C -0.068045 11 C 0.096354 12 C 0.094291 13 C 0.094283 14 C 0.096372 15 C -0.068056 16 H 0.007985 17 H -0.023345 18 H -0.045914 19 H -0.045911 20 H -0.023350 21 H 0.007988 22 H -0.051918 23 H -0.051916 Sum of APT charges = 0.00000 APT charges with hydrogens summed into heavy atoms: 1 1 C 0.321820 2 C 0.321824 3 C 0.631803 4 O -0.647131 8 O -0.647133 10 C -0.060060 11 C 0.073008 12 C -0.003540 13 C -0.003545 14 C 0.073022 15 C -0.060068 Electronic spatial extent (au): = 1485.1510 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.1277 Y= 0.0001 Z= -1.0840 Tot= 1.0915 Quadrupole moment (field-independent basis, Debye-Ang): XX= -63.5575 YY= -66.3030 ZZ= -62.1437 XY= 0.0001 XZ= -2.8242 YZ= -0.0003 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 0.4439 YY= -2.3016 ZZ= 1.8577 XY= 0.0001 XZ= -2.8242 YZ= -0.0003 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -28.7692 YYY= 0.0004 ZZZ= -0.9038 XYY= 4.0793 XXY= -0.0003 XXZ= 0.4502 XZZ= -11.0206 YZZ= -0.0005 YYZ= -2.8064 XYZ= 0.0008 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1039.8821 YYYY= -453.5190 ZZZZ= -374.8202 XXXY= 0.0026 XXXZ= -18.8582 YYYX= -0.0007 YYYZ= -0.0001 ZZZX= -10.3960 ZZZY= 0.0005 XXYY= -281.2179 XXZZ= -255.2236 YYZZ= -134.5003 XXYZ= -0.0007 YYXZ= -1.1863 ZZXY= -0.0003 N-N= 6.491475919527D+02 E-N=-2.463402957081D+03 KE= 4.958692823079D+02 Orbital energies and kinetic energies (alpha): 1 2 1 O -19.168149 29.026205 2 O -19.168144 29.026414 3 O -10.286020 15.888299 4 O -10.237379 15.880866 5 O -10.236772 15.892190 6 O -10.185784 15.881676 7 O -10.185614 15.887771 8 O -10.184998 15.891301 9 O -10.184983 15.885115 10 O -10.169178 15.876564 11 O -10.168688 15.886139 12 O -1.102111 2.290468 13 O -1.006405 2.783781 14 O -0.830583 1.393776 15 O -0.761098 1.732920 16 O -0.735993 1.473514 17 O -0.729959 1.511907 18 O -0.641461 1.871423 19 O -0.607850 1.696496 20 O -0.606735 1.505390 21 O -0.585295 1.405904 22 O -0.528809 1.344193 23 O -0.500669 1.235650 24 O -0.494693 0.988534 25 O -0.470843 1.372461 26 O -0.453094 1.129705 27 O -0.451443 1.558050 28 O -0.439882 1.455843 29 O -0.408474 1.373781 30 O -0.397518 1.222882 31 O -0.388483 1.335159 32 O -0.379530 1.738111 33 O -0.362683 1.577266 34 O -0.351210 2.030377 35 O -0.345826 1.372136 36 O -0.328500 2.080099 37 O -0.322522 1.474718 38 O -0.317248 1.376123 39 O -0.274648 1.485713 40 O -0.196483 1.364460 41 O -0.190516 1.731260 42 V -0.004620 1.485929 43 V 0.015431 1.609503 44 V 0.081002 0.915250 45 V 0.109309 1.687709 46 V 0.112676 1.183776 47 V 0.119651 0.934082 48 V 0.130578 1.027784 49 V 0.133834 1.168539 50 V 0.145665 1.769717 51 V 0.154505 1.476268 52 V 0.169647 1.340502 53 V 0.171651 1.165979 54 V 0.175192 1.480629 55 V 0.180018 1.673996 56 V 0.197233 1.280017 57 V 0.202999 1.210213 58 V 0.212509 2.247446 59 V 0.242898 1.377332 60 V 0.243185 1.426398 61 V 0.247893 1.298380 62 V 0.305768 1.659865 63 V 0.317430 1.461581 64 V 0.328669 1.784398 65 V 0.375843 2.420561 66 V 0.435525 1.974862 67 V 0.470781 1.836079 68 V 0.482679 1.849502 69 V 0.487318 1.723745 70 V 0.505736 1.943607 71 V 0.530408 2.089002 72 V 0.534099 2.108854 73 V 0.546822 2.682768 74 V 0.570173 2.010605 75 V 0.573647 2.105158 76 V 0.582501 1.892911 77 V 0.582919 2.333169 78 V 0.605967 2.037507 79 V 0.626449 1.941501 80 V 0.646684 2.544743 81 V 0.651716 2.585752 82 V 0.680284 2.396477 83 V 0.691769 2.207436 84 V 0.725478 2.419990 85 V 0.738149 2.502915 86 V 0.747103 2.102214 87 V 0.763058 2.595432 88 V 0.804860 2.689966 89 V 0.813029 2.493343 90 V 0.824739 2.636242 91 V 0.835675 2.550321 92 V 0.847818 2.543865 93 V 0.849115 2.717500 94 V 0.859118 2.467526 95 V 0.866605 2.758920 96 V 0.882302 2.477156 97 V 0.888055 2.763382 98 V 0.891082 2.716580 99 V 0.897253 2.421030 100 V 0.904017 2.640409 101 V 0.919499 2.645898 102 V 0.950553 2.581709 103 V 0.962274 2.723178 104 V 0.973370 2.502669 105 V 0.985602 2.701785 106 V 1.011355 2.626866 107 V 1.053439 2.444079 108 V 1.076121 2.863410 109 V 1.120430 2.670346 110 V 1.129676 2.448751 111 V 1.140317 2.491331 112 V 1.148111 2.912320 113 V 1.199614 2.731639 114 V 1.202984 2.409997 115 V 1.251519 2.442997 116 V 1.289973 2.614725 117 V 1.314324 3.088190 118 V 1.329331 2.513773 119 V 1.399916 2.550917 120 V 1.415033 2.593787 121 V 1.441399 2.613816 122 V 1.462983 2.614761 123 V 1.486728 2.665691 124 V 1.533137 2.751281 125 V 1.563871 2.815543 126 V 1.584143 2.784675 127 V 1.629001 2.826459 128 V 1.644025 2.794674 129 V 1.679848 2.875077 130 V 1.732425 2.883890 131 V 1.746841 2.873344 132 V 1.759801 3.108724 133 V 1.792164 3.008147 134 V 1.857997 3.081153 135 V 1.870891 3.167636 136 V 1.893815 3.375200 137 V 1.898635 3.266015 138 V 1.944174 3.272831 139 V 1.961285 3.454012 140 V 1.963133 3.439942 141 V 1.988868 3.731232 142 V 2.013165 3.677585 143 V 2.015461 3.676409 144 V 2.023240 3.500492 145 V 2.059262 3.569049 146 V 2.077821 3.498398 147 V 2.098814 3.469745 148 V 2.113566 3.535478 149 V 2.181227 3.674448 150 V 2.183720 3.631557 151 V 2.237846 3.551368 152 V 2.261896 3.625851 153 V 2.278228 3.580942 154 V 2.279627 3.533977 155 V 2.316285 3.724502 156 V 2.318616 3.591504 157 V 2.372402 3.754127 158 V 2.414594 3.847205 159 V 2.448603 3.809400 160 V 2.459893 3.794906 161 V 2.464063 3.874413 162 V 2.482325 3.840149 163 V 2.510893 4.035294 164 V 2.550405 3.953401 165 V 2.590777 4.382833 166 V 2.633658 4.414830 167 V 2.648750 4.252941 168 V 2.674128 4.230539 169 V 2.691907 4.389539 170 V 2.701511 4.314816 171 V 2.754759 4.306825 172 V 2.767589 4.287599 173 V 2.803461 4.638543 174 V 2.888679 4.501846 175 V 2.896749 4.660085 176 V 2.943395 4.756900 177 V 3.132758 4.935521 178 V 3.137585 4.878429 179 V 4.011876 10.923878 180 V 4.124321 10.774090 181 V 4.127734 10.127349 182 V 4.223120 10.317895 183 V 4.288362 10.231843 184 V 4.360765 10.435637 185 V 4.379913 10.329781 186 V 4.448625 10.394576 187 V 4.509001 10.502703 188 V 4.603261 10.567489 189 V 4.870961 11.529686 Total kinetic energy from orbitals= 4.958692823079D+02 Exact polarizability: 113.355 -0.001 96.187 1.770 -0.001 95.221 Approx polarizability: 162.474 -0.003 176.000 16.889 -0.001 166.127 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 --- -520.9335 -6.3891 -4.6946 -4.5711 0.0007 0.0009 Low frequencies --- 0.0009 65.8886 111.1237 ****** 1 imaginary frequencies (negative Signs) ****** Diagonal vibrational polarizability: 12.1840853 6.7624390 5.4537230 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 -- -520.9335 65.8781 111.1231 Red. masses -- 7.0574 3.4204 2.2872 Frc consts -- 1.1284 0.0087 0.0166 IR Inten -- 0.5113 0.3410 1.2872 Atom AN X Y Z X Y Z X Y Z 1 6 0.28 -0.10 0.23 -0.03 -0.08 0.07 0.00 0.00 -0.06 2 6 0.28 0.10 0.23 0.03 -0.08 -0.07 0.00 0.00 -0.06 3 6 0.02 0.00 -0.02 0.00 0.11 0.00 0.13 0.00 0.24 4 8 0.01 0.00 -0.02 -0.01 0.06 0.17 0.00 -0.01 -0.08 5 1 -0.21 0.16 -0.19 -0.08 -0.19 0.14 0.00 0.00 -0.06 6 1 -0.21 -0.16 -0.19 0.08 -0.19 -0.14 0.00 0.00 -0.06 7 1 0.01 0.00 0.01 0.00 0.03 0.00 -0.13 0.00 0.62 8 8 0.01 0.00 -0.02 0.01 0.06 -0.17 0.00 0.01 -0.08 9 1 0.03 0.00 -0.01 0.00 0.26 0.00 0.55 0.00 0.35 10 6 -0.01 -0.06 0.03 -0.08 -0.09 0.01 -0.07 0.00 -0.02 11 6 -0.28 -0.09 -0.21 -0.12 -0.04 0.03 -0.03 0.00 -0.01 12 6 0.00 0.00 -0.01 0.02 0.07 0.11 0.02 0.00 0.04 13 6 0.00 0.00 -0.01 -0.02 0.07 -0.11 0.02 0.00 0.04 14 6 -0.28 0.09 -0.21 0.12 -0.04 -0.03 -0.03 0.00 -0.01 15 6 -0.01 0.06 0.03 0.08 -0.09 -0.01 -0.07 0.00 -0.02 16 1 0.20 0.00 0.10 -0.16 -0.15 0.02 -0.11 0.00 -0.04 17 1 -0.13 -0.06 -0.10 -0.21 -0.05 0.05 -0.03 0.00 -0.02 18 1 0.11 -0.01 -0.03 0.20 0.21 0.13 0.06 0.00 0.03 19 1 0.11 0.01 -0.03 -0.20 0.21 -0.13 0.06 0.00 0.03 20 1 -0.13 0.06 -0.10 0.21 -0.05 -0.05 -0.03 0.00 -0.02 21 1 0.20 0.00 0.10 0.16 -0.15 -0.02 -0.11 0.00 -0.04 22 1 -0.06 0.02 0.15 -0.01 0.01 0.33 0.01 0.00 0.08 23 1 -0.06 -0.02 0.15 0.01 0.01 -0.33 0.01 0.00 0.08 4 5 6 A A A Frequencies -- 131.8434 162.6234 167.6418 Red. masses -- 4.4023 2.6031 4.6580 Frc consts -- 0.0451 0.0406 0.0771 IR Inten -- 0.0283 0.0366 1.0840 Atom AN X Y Z X Y Z X Y Z 1 6 -0.07 0.05 -0.07 0.04 0.04 0.03 -0.03 0.00 -0.05 2 6 0.07 0.05 0.07 -0.04 0.04 -0.03 -0.03 0.00 -0.05 3 6 0.00 0.08 0.00 0.00 0.01 0.00 0.06 0.00 -0.01 4 8 -0.06 0.05 -0.10 0.09 0.05 0.12 0.14 0.02 0.20 5 1 0.00 0.04 -0.03 -0.01 0.04 0.01 -0.13 -0.02 -0.07 6 1 0.00 0.04 0.03 0.00 0.04 -0.01 -0.13 0.02 -0.07 7 1 0.00 0.17 0.00 0.00 -0.11 0.00 0.23 0.00 -0.26 8 8 0.06 0.05 0.10 -0.09 0.05 -0.12 0.14 -0.02 0.20 9 1 0.00 0.00 0.00 0.00 0.09 0.00 -0.20 0.00 -0.08 10 6 -0.08 -0.04 -0.04 0.03 -0.09 0.03 -0.22 0.00 -0.13 11 6 -0.24 -0.10 -0.12 0.03 -0.02 0.06 -0.03 0.00 -0.08 12 6 -0.14 -0.02 -0.08 -0.11 0.01 -0.09 0.08 0.00 0.03 13 6 0.14 -0.02 0.08 0.11 0.01 0.09 0.08 0.00 0.03 14 6 0.24 -0.10 0.12 -0.03 -0.02 -0.06 -0.03 0.00 -0.08 15 6 0.08 -0.04 0.04 -0.04 -0.09 -0.03 -0.22 0.00 -0.13 16 1 -0.13 -0.04 -0.07 0.09 -0.10 0.07 -0.37 0.00 -0.21 17 1 -0.32 -0.11 -0.16 0.05 -0.02 0.13 -0.03 0.00 -0.10 18 1 -0.22 -0.16 -0.11 -0.40 -0.13 -0.09 0.18 0.00 0.01 19 1 0.22 -0.16 0.11 0.40 -0.13 0.09 0.18 0.00 0.01 20 1 0.32 -0.11 0.16 -0.05 -0.02 -0.13 -0.03 0.00 -0.10 21 1 0.13 -0.04 0.07 -0.09 -0.10 -0.07 -0.37 0.00 -0.21 22 1 -0.20 0.18 -0.12 -0.09 0.18 -0.39 0.05 0.00 0.14 23 1 0.20 0.18 0.12 0.09 0.18 0.39 0.05 0.00 0.14 7 8 9 A A A Frequencies -- 232.5600 264.5681 391.1453 Red. masses -- 4.1726 4.1079 3.2720 Frc consts -- 0.1330 0.1694 0.2949 IR Inten -- 0.0751 0.7800 3.5612 Atom AN X Y Z X Y Z X Y Z 1 6 0.08 0.18 -0.03 0.08 0.01 -0.07 0.11 0.00 0.17 2 6 -0.08 0.18 0.03 0.08 -0.01 -0.07 0.11 0.00 0.17 3 6 0.00 -0.10 0.00 0.15 0.00 -0.03 -0.03 0.00 0.01 4 8 0.20 0.05 0.04 0.16 0.00 0.00 -0.05 -0.01 -0.04 5 1 0.15 0.25 -0.05 0.13 -0.03 -0.02 0.16 0.03 0.17 6 1 -0.15 0.25 0.05 0.13 0.03 -0.02 0.16 -0.03 0.17 7 1 0.00 -0.27 0.00 0.18 0.00 -0.08 -0.08 0.00 0.07 8 8 -0.20 0.05 -0.04 0.16 0.00 0.00 -0.05 0.01 -0.04 9 1 0.00 -0.13 0.00 0.10 0.00 -0.05 0.02 0.00 0.03 10 6 -0.05 0.01 -0.03 -0.05 0.01 0.08 -0.16 -0.01 -0.05 11 6 -0.07 -0.06 -0.07 -0.05 0.01 0.09 0.14 0.01 0.04 12 6 0.05 -0.12 0.06 -0.24 0.00 -0.07 0.01 -0.01 -0.10 13 6 -0.05 -0.12 -0.06 -0.24 0.00 -0.07 0.01 0.01 -0.10 14 6 0.07 -0.06 0.07 -0.05 -0.01 0.09 0.14 -0.01 0.04 15 6 0.05 0.01 0.03 -0.05 -0.01 0.08 -0.16 0.01 -0.05 16 1 -0.08 0.02 -0.06 -0.01 0.01 0.10 -0.33 0.02 -0.16 17 1 -0.01 -0.05 -0.13 -0.06 0.01 0.11 0.25 0.03 0.08 18 1 0.28 -0.05 0.04 -0.43 0.00 -0.03 -0.19 -0.01 -0.06 19 1 -0.28 -0.05 -0.04 -0.43 0.00 -0.03 -0.19 0.01 -0.06 20 1 0.01 -0.05 0.13 -0.06 -0.01 0.11 0.25 -0.03 0.08 21 1 0.08 0.02 0.06 -0.01 -0.01 0.10 -0.33 -0.02 -0.16 22 1 0.02 -0.21 0.29 -0.18 -0.01 -0.29 0.05 0.02 -0.30 23 1 -0.02 -0.21 -0.29 -0.18 0.01 -0.29 0.05 -0.02 -0.30 10 11 12 A A A Frequencies -- 527.5287 549.2875 582.5771 Red. masses -- 3.2827 5.4809 3.8357 Frc consts -- 0.5382 0.9743 0.7670 IR Inten -- 3.0242 0.0082 1.1337 Atom AN X Y Z X Y Z X Y Z 1 6 -0.12 -0.01 -0.10 -0.01 0.02 -0.02 0.20 0.01 0.22 2 6 0.12 -0.01 0.10 0.01 0.02 0.02 -0.20 0.01 -0.22 3 6 0.00 -0.02 0.00 0.00 -0.03 0.00 0.00 0.05 0.00 4 8 0.03 -0.01 0.05 0.02 0.01 0.01 -0.04 0.01 -0.09 5 1 -0.05 -0.05 -0.03 -0.01 0.04 -0.03 0.36 -0.05 0.34 6 1 0.05 -0.05 0.03 0.01 0.04 0.03 -0.36 -0.05 -0.34 7 1 0.00 -0.08 0.00 0.00 -0.03 0.00 0.00 0.06 0.00 8 8 -0.03 -0.01 -0.05 -0.02 0.01 -0.01 0.04 0.01 0.09 9 1 0.00 -0.01 0.00 0.00 -0.03 0.00 0.00 0.02 0.00 10 6 0.23 0.03 0.08 0.07 -0.18 -0.20 0.12 -0.03 0.02 11 6 -0.09 -0.02 -0.05 0.08 -0.06 -0.16 -0.07 -0.03 -0.04 12 6 -0.01 0.02 0.01 0.16 0.21 -0.14 -0.03 0.01 0.00 13 6 0.01 0.02 -0.01 -0.16 0.21 0.14 0.03 0.01 0.00 14 6 0.09 -0.02 0.05 -0.08 -0.06 0.16 0.07 -0.03 0.04 15 6 -0.23 0.03 -0.08 -0.07 -0.18 0.20 -0.12 -0.03 -0.02 16 1 0.52 0.08 0.21 0.04 -0.02 -0.31 0.28 0.00 0.09 17 1 0.04 0.00 0.02 -0.09 -0.07 0.09 -0.04 -0.03 0.02 18 1 0.13 0.05 -0.01 0.25 0.16 -0.18 0.10 0.03 -0.01 19 1 -0.13 0.05 0.01 -0.25 0.16 0.18 -0.10 0.03 0.01 20 1 -0.04 0.00 -0.02 0.09 -0.07 -0.09 0.04 -0.03 -0.02 21 1 -0.52 0.08 -0.21 -0.04 -0.02 0.31 -0.28 0.00 -0.09 22 1 -0.07 0.03 0.20 0.17 0.13 -0.06 -0.06 0.02 0.16 23 1 0.07 0.03 -0.20 -0.17 0.13 0.06 0.06 0.02 -0.16 13 14 15 A A A Frequencies -- 597.3788 700.9915 744.6201 Red. masses -- 5.4916 1.1696 6.5796 Frc consts -- 1.1546 0.3386 2.1494 IR Inten -- 2.4053 19.8455 1.5312 Atom AN X Y Z X Y Z X Y Z 1 6 0.06 0.02 0.08 -0.01 0.02 0.02 0.11 0.03 -0.07 2 6 0.06 -0.02 0.08 -0.01 -0.02 0.02 0.11 -0.03 -0.07 3 6 0.01 0.00 0.00 0.02 0.00 0.00 -0.20 0.00 0.07 4 8 0.00 -0.01 -0.01 0.00 -0.03 0.00 0.01 0.39 0.01 5 1 0.20 0.01 0.15 0.25 -0.06 0.20 -0.01 -0.27 0.12 6 1 0.20 -0.01 0.15 0.25 0.06 0.20 -0.01 0.27 0.12 7 1 0.00 0.00 0.01 0.03 0.00 -0.02 -0.38 0.00 0.27 8 8 0.00 0.01 -0.01 0.00 0.03 0.00 0.01 -0.39 0.01 9 1 0.02 0.00 0.00 0.01 0.00 -0.01 -0.08 0.00 0.12 10 6 0.08 0.03 -0.22 0.05 0.01 0.01 0.03 0.00 0.01 11 6 -0.02 0.32 -0.01 -0.01 -0.04 -0.01 0.00 0.01 0.00 12 6 -0.13 0.05 0.14 0.00 0.01 0.00 0.00 0.01 0.01 13 6 -0.13 -0.05 0.14 0.00 -0.01 0.00 0.00 -0.01 0.01 14 6 -0.02 -0.32 -0.01 -0.01 0.04 -0.01 0.00 -0.01 0.00 15 6 0.08 -0.03 -0.22 0.05 -0.01 0.01 0.03 0.00 0.01 16 1 0.04 -0.22 -0.08 -0.37 -0.04 -0.18 -0.20 -0.05 -0.09 17 1 -0.08 0.31 0.01 -0.40 -0.10 -0.21 -0.17 -0.02 -0.07 18 1 0.08 -0.04 0.05 0.00 0.02 0.00 -0.06 -0.02 0.01 19 1 0.08 0.04 0.05 0.00 -0.02 0.00 -0.06 0.02 0.01 20 1 -0.08 -0.31 0.01 -0.40 0.10 -0.21 -0.17 0.02 -0.07 21 1 0.04 0.22 -0.08 -0.37 0.04 -0.18 -0.20 0.05 -0.09 22 1 -0.09 -0.10 0.21 0.00 0.00 0.00 0.01 0.03 -0.06 23 1 -0.09 0.10 0.21 0.00 0.00 0.00 0.01 -0.03 -0.06 16 17 18 A A A Frequencies -- 781.1937 817.5855 818.3731 Red. masses -- 1.1467 1.6032 1.5533 Frc consts -- 0.4123 0.6314 0.6129 IR Inten -- 15.4362 0.9431 26.6222 Atom AN X Y Z X Y Z X Y Z 1 6 -0.01 0.02 0.00 0.02 -0.04 -0.01 0.12 -0.07 -0.03 2 6 -0.01 -0.02 0.00 -0.02 -0.04 0.01 -0.12 -0.07 0.03 3 6 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 4 8 0.00 0.01 0.00 0.03 0.04 -0.02 -0.01 0.03 0.01 5 1 0.38 -0.18 0.33 -0.01 -0.02 -0.04 -0.40 0.20 -0.48 6 1 0.38 0.18 0.33 0.01 -0.02 0.04 0.40 0.20 0.48 7 1 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 8 8 0.00 -0.01 0.00 -0.03 0.04 0.02 0.01 0.03 -0.01 9 1 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 0.02 0.00 10 6 -0.04 0.00 -0.02 0.07 0.04 0.08 0.01 0.00 -0.03 11 6 -0.01 -0.04 -0.01 0.03 -0.06 0.02 -0.01 0.00 -0.01 12 6 -0.02 -0.02 -0.03 0.06 0.02 0.00 -0.04 0.00 0.01 13 6 -0.02 0.02 -0.03 -0.06 0.02 0.00 0.04 0.00 -0.01 14 6 -0.01 0.04 -0.01 -0.03 -0.06 -0.02 0.01 0.00 0.01 15 6 -0.04 0.00 -0.02 -0.07 0.04 -0.08 -0.01 0.00 0.03 16 1 0.27 0.08 0.09 -0.28 -0.01 -0.07 0.13 0.05 0.00 17 1 0.12 -0.02 0.03 -0.49 -0.14 -0.29 -0.02 0.00 -0.02 18 1 0.19 0.10 -0.02 -0.10 0.02 0.04 0.06 0.02 0.00 19 1 0.19 -0.10 -0.02 0.10 0.02 -0.04 -0.06 0.02 0.00 20 1 0.12 0.02 0.03 0.49 -0.14 0.29 0.02 0.00 0.02 21 1 0.27 -0.08 0.09 0.28 -0.01 0.07 -0.13 0.05 0.00 22 1 -0.05 -0.10 0.20 0.10 0.01 -0.15 -0.07 0.02 0.11 23 1 -0.05 0.10 0.20 -0.10 0.01 0.15 0.07 0.02 -0.11 19 20 21 A A A Frequencies -- 837.5991 849.3866 866.8278 Red. masses -- 1.9907 1.6202 3.8478 Frc consts -- 0.8228 0.6887 1.7034 IR Inten -- 0.6364 1.7939 11.9638 Atom AN X Y Z X Y Z X Y Z 1 6 -0.01 0.00 0.00 -0.01 0.00 -0.01 -0.01 0.20 0.09 2 6 -0.01 0.00 0.00 -0.01 0.00 -0.01 0.01 0.20 -0.09 3 6 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -0.11 0.00 4 8 0.00 0.00 0.00 0.00 0.00 0.00 -0.15 -0.13 0.11 5 1 0.10 -0.06 0.09 0.17 -0.10 0.15 -0.31 0.38 -0.16 6 1 0.10 0.06 0.09 0.17 0.10 0.15 0.31 0.38 0.16 7 1 0.01 0.00 0.00 0.02 0.00 -0.01 0.00 0.03 0.00 8 8 0.00 0.00 0.00 0.00 0.00 0.00 0.15 -0.13 -0.11 9 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 10 6 0.02 -0.01 -0.06 -0.04 0.01 0.01 0.04 0.01 0.03 11 6 0.01 -0.07 -0.05 -0.06 0.06 0.01 -0.01 -0.03 0.00 12 6 -0.02 -0.12 0.13 0.11 0.08 -0.02 0.01 0.00 0.01 13 6 -0.02 0.12 0.13 0.11 -0.08 -0.02 -0.01 0.00 -0.01 14 6 0.01 0.07 -0.05 -0.06 -0.06 0.01 0.01 -0.03 0.00 15 6 0.02 0.01 -0.06 -0.04 -0.01 0.01 -0.04 0.01 -0.03 16 1 0.09 0.02 -0.05 0.26 -0.01 0.19 -0.14 -0.01 -0.05 17 1 0.17 -0.06 -0.12 -0.23 0.04 0.00 -0.21 -0.06 -0.11 18 1 -0.34 -0.41 0.08 -0.18 -0.16 -0.06 -0.02 0.00 0.01 19 1 -0.34 0.41 0.08 -0.18 0.16 -0.06 0.02 0.00 -0.01 20 1 0.17 0.06 -0.12 -0.23 -0.04 0.00 0.21 -0.06 0.11 21 1 0.09 -0.02 -0.05 0.26 0.01 0.19 0.14 -0.01 0.05 22 1 -0.04 0.18 -0.22 0.09 0.31 -0.29 0.02 0.01 -0.04 23 1 -0.04 -0.18 -0.22 0.09 -0.31 -0.29 -0.02 0.01 0.04 22 23 24 A A A Frequencies -- 925.8643 961.4581 961.7341 Red. masses -- 2.1421 1.2948 1.7614 Frc consts -- 1.0819 0.7052 0.9599 IR Inten -- 0.6569 0.1786 0.7976 Atom AN X Y Z X Y Z X Y Z 1 6 0.02 -0.01 0.00 0.00 -0.03 -0.03 0.00 0.01 0.02 2 6 -0.02 -0.01 0.00 0.00 0.03 -0.03 0.00 0.01 -0.02 3 6 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -0.03 0.00 4 8 0.00 0.00 0.00 -0.01 -0.01 0.01 -0.01 0.01 0.00 5 1 -0.05 0.03 -0.06 0.09 -0.16 0.12 -0.03 0.01 0.01 6 1 0.05 0.03 0.06 0.09 0.16 0.12 0.03 0.00 -0.01 7 1 0.00 0.02 0.00 0.02 0.00 -0.01 0.00 -0.02 0.00 8 8 0.00 0.00 0.00 -0.01 0.01 0.01 0.01 0.01 0.00 9 1 0.00 0.02 0.00 0.00 0.00 0.00 0.00 -0.03 0.00 10 6 -0.02 -0.04 0.05 0.05 -0.02 0.01 -0.12 0.04 0.03 11 6 -0.08 0.13 0.03 -0.08 0.00 -0.01 0.02 -0.10 0.00 12 6 0.10 -0.04 -0.11 0.02 0.04 -0.01 0.07 0.04 -0.01 13 6 -0.10 -0.04 0.11 0.02 -0.03 -0.01 -0.07 0.04 0.01 14 6 0.08 0.13 -0.03 -0.08 0.00 -0.01 -0.01 -0.10 0.00 15 6 0.02 -0.04 -0.05 0.06 0.02 0.01 0.12 0.04 -0.03 16 1 0.10 -0.23 0.24 -0.31 -0.09 -0.13 0.53 0.12 0.32 17 1 -0.26 0.11 0.08 0.40 0.08 0.35 -0.05 -0.11 -0.11 18 1 0.21 -0.25 -0.21 -0.01 -0.03 -0.03 -0.09 0.06 0.03 19 1 -0.21 -0.25 0.21 -0.01 0.03 -0.03 0.09 0.06 -0.03 20 1 0.26 0.11 -0.08 0.40 -0.08 0.35 0.04 -0.11 0.11 21 1 -0.10 -0.23 -0.24 -0.32 0.09 -0.14 -0.53 0.12 -0.32 22 1 0.16 -0.21 -0.12 -0.02 0.15 -0.01 0.08 0.07 -0.11 23 1 -0.16 -0.21 0.12 -0.02 -0.15 -0.01 -0.08 0.07 0.11 25 26 27 A A A Frequencies -- 972.1227 1008.1367 1016.8887 Red. masses -- 3.5434 1.7772 5.8224 Frc consts -- 1.9729 1.0642 3.5473 IR Inten -- 62.0257 6.3564 2.3035 Atom AN X Y Z X Y Z X Y Z 1 6 0.05 0.00 -0.08 -0.02 0.02 -0.02 -0.21 0.04 0.18 2 6 -0.05 0.00 0.08 0.02 0.02 0.02 -0.21 -0.04 0.18 3 6 0.00 0.35 0.00 0.00 0.03 0.00 0.39 0.00 -0.14 4 8 0.06 -0.17 0.02 0.01 -0.02 0.00 0.00 0.18 -0.07 5 1 0.38 0.25 -0.15 0.12 -0.01 0.07 -0.22 0.12 0.13 6 1 -0.38 0.25 0.15 -0.12 -0.01 -0.07 -0.22 -0.12 0.13 7 1 0.00 0.23 0.00 0.00 0.01 0.00 0.42 0.00 -0.20 8 8 -0.06 -0.17 -0.02 -0.01 -0.02 0.00 0.00 -0.18 -0.07 9 1 0.00 0.50 0.00 0.00 0.05 0.00 0.32 0.00 -0.16 10 6 -0.02 0.02 0.02 0.00 -0.06 -0.10 0.01 0.04 0.03 11 6 0.00 -0.04 -0.01 0.06 0.08 0.02 -0.03 0.02 -0.02 12 6 0.03 0.02 -0.01 -0.06 -0.03 0.06 0.02 -0.03 -0.01 13 6 -0.03 0.02 0.01 0.06 -0.03 -0.06 0.02 0.03 -0.01 14 6 0.00 -0.04 0.01 -0.06 0.08 -0.02 -0.03 -0.02 -0.02 15 6 0.02 0.02 -0.02 0.00 -0.06 0.10 0.01 -0.04 0.03 16 1 -0.01 0.02 0.02 0.33 0.04 0.01 -0.08 0.05 -0.02 17 1 0.07 -0.03 0.00 -0.51 -0.01 -0.25 0.12 0.05 -0.04 18 1 -0.02 0.03 0.00 -0.04 0.00 0.07 0.05 -0.09 -0.05 19 1 0.02 0.03 0.00 0.04 0.00 -0.07 0.05 0.09 -0.05 20 1 -0.07 -0.03 0.00 0.51 -0.01 0.25 0.12 -0.05 -0.04 21 1 0.01 0.02 -0.02 -0.33 0.04 -0.01 -0.08 -0.05 -0.02 22 1 0.02 0.03 -0.02 -0.05 -0.05 0.05 -0.01 0.04 0.02 23 1 -0.02 0.03 0.02 0.05 -0.05 -0.05 -0.01 -0.04 0.02 28 29 30 A A A Frequencies -- 1024.9485 1051.8551 1072.3371 Red. masses -- 2.8537 2.0157 1.8903 Frc consts -- 1.7663 1.3140 1.2807 IR Inten -- 4.6113 5.3945 82.5853 Atom AN X Y Z X Y Z X Y Z 1 6 0.02 -0.02 -0.03 -0.03 0.01 0.01 0.06 -0.10 -0.05 2 6 0.02 0.02 -0.03 0.03 0.01 -0.01 0.06 0.10 -0.05 3 6 -0.03 0.00 0.02 0.00 0.01 0.00 0.13 0.00 -0.01 4 8 -0.01 -0.02 0.01 0.01 0.00 -0.01 -0.09 0.00 0.03 5 1 0.05 -0.10 0.04 -0.01 -0.01 0.03 -0.27 -0.52 0.16 6 1 0.05 0.10 0.04 0.01 -0.01 -0.03 -0.27 0.52 0.16 7 1 -0.03 0.00 0.01 0.00 -0.04 0.00 0.20 0.00 -0.11 8 8 -0.01 0.02 0.01 -0.01 0.00 0.01 -0.09 0.00 0.03 9 1 -0.04 0.00 0.01 0.00 0.00 0.00 -0.05 0.00 -0.05 10 6 -0.01 0.12 0.13 -0.04 0.02 0.05 -0.01 -0.03 -0.01 11 6 -0.04 0.14 -0.04 0.08 -0.04 0.04 0.04 0.01 0.01 12 6 0.03 -0.15 -0.05 -0.10 0.01 -0.14 -0.01 -0.01 0.01 13 6 0.03 0.15 -0.05 0.10 0.01 0.14 -0.01 0.01 0.01 14 6 -0.04 -0.14 -0.04 -0.08 -0.04 -0.04 0.04 -0.01 0.01 15 6 -0.01 -0.12 0.13 0.04 0.02 -0.05 -0.01 0.03 -0.01 16 1 -0.17 0.11 0.07 -0.06 0.02 0.04 0.03 -0.10 0.05 17 1 0.19 0.16 -0.33 -0.12 -0.07 -0.08 -0.13 -0.02 -0.06 18 1 0.18 -0.30 -0.14 0.40 0.13 -0.19 -0.02 0.05 0.04 19 1 0.18 0.30 -0.14 -0.40 0.13 0.19 -0.02 -0.05 0.04 20 1 0.19 -0.16 -0.33 0.12 -0.07 0.08 -0.13 0.02 -0.06 21 1 -0.17 -0.11 0.07 0.06 0.02 -0.04 0.03 0.10 0.05 22 1 0.04 -0.18 -0.05 -0.21 -0.05 0.40 0.05 -0.14 -0.04 23 1 0.04 0.18 -0.05 0.21 -0.05 -0.40 0.05 0.14 -0.04 31 32 33 A A A Frequencies -- 1080.2084 1111.3752 1163.9653 Red. masses -- 3.0194 1.7462 1.5058 Frc consts -- 2.0758 1.2707 1.2020 IR Inten -- 1.4122 4.7889 9.4445 Atom AN X Y Z X Y Z X Y Z 1 6 -0.13 0.00 0.18 0.02 -0.01 -0.01 0.02 0.03 -0.01 2 6 0.13 0.00 -0.18 0.02 0.01 -0.01 0.02 -0.03 -0.01 3 6 0.00 0.14 0.00 0.01 0.00 0.00 0.04 0.00 0.18 4 8 0.12 -0.05 -0.09 -0.01 0.00 0.00 -0.03 0.02 -0.04 5 1 -0.60 0.07 -0.07 -0.05 -0.08 0.02 0.07 0.13 -0.07 6 1 0.60 0.07 0.07 -0.05 0.08 0.02 0.07 -0.13 -0.07 7 1 0.00 -0.28 0.00 0.03 0.00 -0.02 0.46 0.00 -0.42 8 8 -0.12 -0.05 0.09 -0.01 0.00 0.00 -0.03 -0.02 -0.04 9 1 0.00 0.00 0.00 -0.03 0.00 0.00 -0.71 0.00 0.01 10 6 0.01 0.00 -0.01 -0.01 0.10 0.04 0.00 0.00 0.00 11 6 -0.01 0.01 0.00 0.04 0.00 -0.06 -0.01 0.00 0.00 12 6 0.00 0.00 0.02 -0.03 0.11 0.04 0.00 0.00 0.00 13 6 0.00 0.00 -0.02 -0.03 -0.11 0.04 0.00 0.00 0.00 14 6 0.01 0.01 0.00 0.04 0.00 -0.06 -0.01 0.00 0.00 15 6 -0.01 0.00 0.01 -0.01 -0.10 0.04 0.00 0.00 0.00 16 1 0.02 0.02 -0.03 0.04 0.46 -0.16 0.00 0.03 -0.02 17 1 -0.02 0.01 0.02 0.19 0.02 -0.24 -0.01 0.00 0.05 18 1 -0.03 -0.03 0.01 -0.11 0.18 0.08 0.02 -0.04 -0.02 19 1 0.03 -0.03 -0.01 -0.11 -0.18 0.08 0.02 0.04 -0.02 20 1 0.02 0.01 -0.02 0.19 -0.02 -0.24 -0.01 0.00 0.05 21 1 -0.02 0.02 0.03 0.04 -0.46 -0.16 0.00 -0.03 -0.02 22 1 0.01 0.03 -0.05 -0.08 0.24 0.07 -0.01 0.02 0.01 23 1 -0.01 0.03 0.05 -0.08 -0.24 0.07 -0.01 -0.02 0.01 34 35 36 A A A Frequencies -- 1187.6601 1191.3298 1198.8516 Red. masses -- 1.1791 1.1627 1.9778 Frc consts -- 0.9799 0.9723 1.6748 IR Inten -- 65.3034 0.0072 235.6657 Atom AN X Y Z X Y Z X Y Z 1 6 0.03 0.01 -0.02 0.00 0.00 0.00 0.06 0.04 -0.06 2 6 0.03 -0.01 -0.02 0.00 0.00 0.00 0.06 -0.04 -0.06 3 6 0.04 0.00 -0.04 0.00 0.00 0.00 0.11 0.00 -0.06 4 8 -0.04 0.00 0.03 0.00 0.00 0.00 -0.11 0.03 0.08 5 1 0.03 0.06 -0.07 -0.03 0.00 -0.01 0.37 0.35 -0.20 6 1 0.03 -0.06 -0.07 0.03 0.00 0.01 0.37 -0.35 -0.20 7 1 -0.03 0.00 0.05 0.00 -0.01 0.00 0.02 0.00 0.05 8 8 -0.04 0.00 0.03 0.00 0.00 0.00 -0.11 -0.03 0.08 9 1 0.12 0.00 -0.02 0.00 0.01 0.00 0.17 0.00 -0.04 10 6 0.01 0.02 -0.01 0.00 -0.03 0.02 0.00 0.00 0.01 11 6 0.00 0.00 0.02 0.02 0.04 -0.06 -0.01 0.00 0.00 12 6 -0.01 -0.01 -0.01 0.00 0.01 0.01 0.00 0.00 0.00 13 6 -0.01 0.01 -0.01 0.00 0.01 -0.01 0.00 0.00 0.00 14 6 0.00 0.00 0.02 -0.02 0.04 0.06 -0.01 0.00 0.00 15 6 0.01 -0.02 -0.01 0.00 -0.03 -0.02 0.00 0.00 0.01 16 1 0.06 0.37 -0.22 -0.06 -0.36 0.21 -0.03 -0.21 0.13 17 1 -0.22 -0.02 0.34 0.24 0.05 -0.49 0.13 0.01 -0.19 18 1 0.14 -0.28 -0.14 -0.02 0.07 0.03 -0.05 0.12 0.05 19 1 0.14 0.28 -0.14 0.02 0.07 -0.03 -0.05 -0.12 0.05 20 1 -0.22 0.02 0.34 -0.24 0.05 0.49 0.13 -0.01 -0.19 21 1 0.06 -0.37 -0.22 0.06 -0.36 -0.21 -0.03 0.21 0.13 22 1 -0.03 0.01 0.04 -0.04 0.09 0.02 -0.04 0.10 0.02 23 1 -0.03 -0.01 0.04 0.04 0.09 -0.02 -0.04 -0.10 0.02 37 38 39 A A A Frequencies -- 1212.5770 1233.9242 1290.5948 Red. masses -- 1.0770 1.1030 1.0922 Frc consts -- 0.9330 0.9895 1.0718 IR Inten -- 0.3209 4.8117 3.6961 Atom AN X Y Z X Y Z X Y Z 1 6 0.02 0.00 -0.03 0.01 0.00 0.00 -0.01 -0.01 0.01 2 6 -0.02 0.00 0.03 0.01 0.00 0.00 0.01 -0.01 -0.01 3 6 0.00 -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 4 8 -0.01 0.01 -0.03 0.01 -0.01 -0.01 0.00 0.00 0.00 5 1 -0.03 -0.08 0.02 -0.11 -0.06 0.01 0.03 0.06 -0.04 6 1 0.03 -0.08 -0.02 -0.11 0.06 0.01 -0.03 0.06 0.04 7 1 0.00 -0.65 0.00 -0.01 0.00 0.00 0.00 -0.05 0.00 8 8 0.01 0.01 0.03 0.01 0.01 -0.01 0.00 0.00 0.00 9 1 0.00 0.74 0.00 -0.01 0.00 0.00 0.00 -0.01 0.00 10 6 0.00 0.00 0.00 -0.01 -0.01 0.00 0.00 0.00 -0.01 11 6 0.00 0.00 0.00 0.04 -0.01 0.03 -0.02 0.00 -0.01 12 6 0.00 0.00 0.00 -0.02 0.00 -0.03 -0.04 0.00 -0.03 13 6 0.00 0.00 0.00 -0.02 0.00 -0.03 0.04 0.00 0.03 14 6 0.00 0.00 0.00 0.04 0.01 0.03 0.02 0.00 0.01 15 6 0.00 0.00 0.00 -0.01 0.01 0.00 0.00 0.00 0.01 16 1 0.00 0.01 0.00 -0.02 -0.17 0.09 0.01 -0.02 0.01 17 1 0.00 0.00 0.00 0.00 -0.02 -0.13 0.02 0.01 -0.01 18 1 0.00 0.00 0.00 0.15 -0.22 -0.15 -0.09 0.42 0.14 19 1 0.00 0.00 0.00 0.15 0.22 -0.15 0.09 0.42 -0.14 20 1 0.00 0.00 0.00 0.00 0.02 -0.13 -0.02 0.01 0.01 21 1 0.00 0.01 0.00 -0.02 0.17 0.09 -0.01 -0.02 -0.01 22 1 0.00 0.00 0.00 -0.25 0.43 0.28 0.16 -0.48 -0.15 23 1 0.00 0.00 0.00 -0.25 -0.43 0.28 -0.16 -0.48 0.15 40 41 42 A A A Frequencies -- 1305.0092 1324.0214 1370.2928 Red. masses -- 1.2559 1.9313 1.3238 Frc consts -- 1.2602 1.9948 1.4646 IR Inten -- 0.5261 9.8583 0.9090 Atom AN X Y Z X Y Z X Y Z 1 6 -0.06 -0.06 0.05 -0.02 -0.03 0.00 0.00 0.00 0.00 2 6 0.06 -0.06 -0.05 -0.02 0.03 0.00 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 -0.02 0.03 0.01 0.00 0.01 0.00 0.00 0.00 0.00 5 1 0.36 0.46 -0.22 0.14 0.07 -0.02 0.01 0.00 0.00 6 1 -0.36 0.46 0.22 0.14 -0.07 -0.02 -0.01 0.00 0.00 7 1 0.00 -0.40 0.00 0.01 0.00 -0.01 0.00 0.00 0.00 8 8 0.02 0.03 -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 9 1 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.01 0.00 10 6 0.00 0.00 0.00 -0.02 -0.05 0.06 -0.01 -0.03 0.02 11 6 0.00 0.00 0.00 0.06 -0.02 -0.08 -0.01 -0.01 0.03 12 6 0.00 0.00 0.01 -0.06 0.13 0.05 -0.05 0.08 0.05 13 6 0.00 0.00 -0.01 -0.06 -0.13 0.05 0.05 0.08 -0.05 14 6 0.00 0.00 0.00 0.06 0.02 -0.08 0.01 -0.01 -0.03 15 6 0.00 0.00 0.00 -0.02 0.05 0.06 0.01 -0.03 -0.02 16 1 0.00 -0.01 0.01 -0.04 -0.14 0.12 0.03 0.23 -0.13 17 1 0.00 0.00 0.01 0.06 -0.02 -0.03 0.16 -0.01 -0.28 18 1 0.00 -0.07 -0.02 0.23 -0.42 -0.23 0.18 -0.35 -0.17 19 1 0.00 -0.07 0.02 0.23 0.42 -0.23 -0.18 -0.35 0.17 20 1 0.00 0.00 -0.01 0.06 0.02 -0.03 -0.16 -0.01 0.28 21 1 0.00 -0.01 -0.01 -0.04 0.14 0.12 -0.03 0.23 0.13 22 1 -0.02 0.06 0.03 0.13 -0.27 -0.14 0.13 -0.29 -0.13 23 1 0.02 0.06 -0.03 0.13 0.27 -0.14 -0.13 -0.29 0.13 43 44 45 A A A Frequencies -- 1405.1429 1459.6387 1461.2447 Red. masses -- 1.5824 1.3463 2.8437 Frc consts -- 1.8408 1.6900 3.5774 IR Inten -- 2.7882 5.4393 58.7577 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.00 0.00 -0.05 -0.03 0.04 0.07 0.23 -0.01 2 6 0.00 0.00 0.00 0.05 -0.03 -0.04 0.07 -0.23 -0.01 3 6 0.00 0.00 0.00 0.00 -0.12 0.00 0.02 0.00 -0.03 4 8 0.00 0.00 0.00 0.04 0.02 -0.02 -0.02 -0.03 0.01 5 1 0.00 0.00 0.00 0.10 0.15 -0.05 -0.41 -0.16 0.17 6 1 0.00 0.00 0.00 -0.10 0.15 0.05 -0.41 0.16 0.17 7 1 0.00 0.03 0.00 0.00 0.69 0.00 -0.05 0.00 0.07 8 8 0.00 0.00 0.00 -0.04 0.02 0.02 -0.02 0.03 0.01 9 1 0.00 0.04 0.00 0.00 0.65 0.00 -0.01 0.00 -0.03 10 6 0.00 0.06 -0.02 0.00 0.00 0.00 0.01 0.09 -0.05 11 6 0.06 -0.04 -0.08 0.00 0.00 0.00 -0.06 -0.06 0.05 12 6 -0.06 0.05 0.06 0.00 0.00 0.00 0.01 0.07 0.00 13 6 0.06 0.05 -0.06 0.00 0.00 0.00 0.01 -0.07 0.00 14 6 -0.06 -0.04 0.08 0.00 0.00 0.00 -0.06 0.06 0.05 15 6 0.00 0.06 0.02 0.00 0.00 0.00 0.01 -0.09 -0.05 16 1 -0.06 -0.40 0.25 0.00 0.01 -0.01 0.01 -0.12 0.08 17 1 -0.15 -0.05 0.32 0.01 0.00 -0.01 0.18 -0.04 -0.10 18 1 0.11 -0.23 -0.08 -0.01 0.00 0.00 0.02 -0.20 -0.10 19 1 -0.11 -0.23 0.08 0.01 0.00 0.00 0.02 0.20 -0.10 20 1 0.15 -0.05 -0.32 -0.01 0.00 0.01 0.18 0.04 -0.10 21 1 0.06 -0.40 -0.25 0.00 0.01 0.01 0.01 0.12 0.08 22 1 0.06 -0.18 -0.09 -0.01 0.01 0.01 0.12 -0.24 -0.05 23 1 -0.06 -0.18 0.09 0.01 0.01 -0.01 0.12 0.24 -0.05 46 47 48 A A A Frequencies -- 1483.5680 1518.1603 1539.0046 Red. masses -- 1.8469 1.0984 1.2156 Frc consts -- 2.3950 1.4916 1.6964 IR Inten -- 9.6962 0.8049 9.8818 Atom AN X Y Z X Y Z X Y Z 1 6 -0.01 -0.04 0.00 0.00 0.00 0.00 0.01 0.05 0.00 2 6 -0.01 0.04 0.00 0.00 0.00 0.00 0.01 -0.05 0.00 3 6 0.00 0.00 0.00 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 -0.01 0.00 5 1 0.04 0.02 -0.04 0.02 0.01 0.00 -0.07 -0.03 0.05 6 1 0.04 -0.02 -0.04 -0.02 0.01 0.00 -0.07 0.03 0.05 7 1 0.01 0.00 -0.01 0.00 0.01 0.00 -0.02 0.00 0.03 8 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 9 1 0.00 0.00 0.00 0.00 0.01 0.00 -0.02 0.00 -0.01 10 6 0.02 -0.12 -0.04 -0.01 -0.01 0.02 0.00 -0.04 0.02 11 6 -0.06 0.00 0.13 0.00 0.01 -0.01 0.01 0.01 -0.02 12 6 0.01 0.03 -0.01 -0.03 -0.04 0.03 -0.04 -0.04 0.04 13 6 0.01 -0.03 -0.01 0.03 -0.04 -0.03 -0.04 0.04 0.04 14 6 -0.06 0.00 0.13 0.00 0.01 0.01 0.01 -0.01 -0.02 15 6 0.02 0.12 -0.04 0.01 -0.01 -0.02 0.00 0.04 0.02 16 1 0.07 0.25 -0.26 0.00 0.06 -0.02 0.00 0.03 -0.02 17 1 0.22 0.01 -0.48 -0.01 0.01 0.02 -0.02 0.01 0.01 18 1 0.11 -0.10 -0.09 0.45 0.21 0.01 0.44 0.23 0.02 19 1 0.11 0.10 -0.09 -0.45 0.21 -0.01 0.44 -0.23 0.02 20 1 0.22 -0.01 -0.48 0.01 0.01 -0.02 -0.02 -0.01 0.01 21 1 0.07 -0.25 -0.26 0.00 0.06 0.02 0.00 -0.03 -0.02 22 1 0.06 -0.07 -0.08 0.01 0.24 -0.43 0.00 0.25 -0.42 23 1 0.06 0.07 -0.08 -0.01 0.24 0.43 0.00 -0.25 -0.42 49 50 51 A A A Frequencies -- 1568.9732 1573.4662 1613.1488 Red. masses -- 2.6950 1.2343 3.8025 Frc consts -- 3.9088 1.8005 5.8300 IR Inten -- 18.6290 1.2019 1.7835 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 -0.13 0.01 0.01 0.05 -0.01 0.01 0.00 0.00 2 6 0.00 0.13 0.01 0.01 -0.05 -0.01 -0.01 0.00 0.00 3 6 -0.06 0.00 0.03 -0.08 0.00 0.03 0.00 0.00 0.00 4 8 0.00 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 5 1 0.08 0.05 -0.13 -0.04 -0.02 0.04 -0.02 0.01 -0.02 6 1 0.08 -0.05 -0.13 -0.04 0.02 0.04 0.02 0.01 0.02 7 1 0.23 0.00 -0.35 0.38 0.00 -0.57 0.00 0.00 0.00 8 8 0.00 -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 9 1 0.38 0.00 0.12 0.66 0.00 0.19 0.00 0.00 0.00 10 6 0.02 0.19 -0.09 0.00 -0.05 0.02 -0.07 -0.12 0.21 11 6 -0.03 -0.08 0.09 0.01 0.02 -0.02 0.08 0.09 -0.21 12 6 -0.02 0.02 0.01 0.00 -0.01 0.00 -0.02 -0.01 0.03 13 6 -0.02 -0.02 0.01 0.00 0.01 0.00 0.02 -0.01 -0.03 14 6 -0.03 0.08 0.09 0.01 -0.02 -0.02 -0.08 0.09 0.21 15 6 0.02 -0.19 -0.09 0.00 0.05 0.02 0.07 -0.12 -0.21 16 1 -0.01 -0.17 0.13 0.00 0.04 -0.03 0.00 0.44 -0.09 17 1 0.03 -0.08 0.00 -0.01 0.02 0.00 -0.15 0.10 0.24 18 1 0.31 0.01 -0.06 -0.07 0.00 0.02 -0.21 0.00 0.07 19 1 0.31 -0.01 -0.06 -0.07 0.00 0.02 0.21 0.00 -0.07 20 1 0.03 0.08 0.00 -0.01 -0.02 0.00 0.15 0.10 -0.24 21 1 -0.01 0.17 0.13 0.00 -0.04 -0.03 0.00 0.44 0.09 22 1 0.06 0.04 -0.26 -0.01 0.00 0.06 -0.03 -0.05 0.13 23 1 0.06 -0.04 -0.26 -0.01 0.00 0.06 0.03 -0.05 -0.13 52 53 54 A A A Frequencies -- 2966.7274 3016.5015 3032.3290 Red. masses -- 1.0723 1.0614 1.0605 Frc consts -- 5.5608 5.6902 5.7450 IR Inten -- 203.7001 36.2143 76.5046 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 -0.07 0.00 -0.04 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 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 6 1 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 7 1 0.79 0.00 0.58 0.00 0.00 0.00 0.01 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 0.02 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 10 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 6 0.00 0.00 0.00 0.04 0.03 -0.02 0.03 0.03 -0.02 13 6 0.00 0.00 0.00 -0.04 0.03 0.02 0.03 -0.03 -0.02 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 0.00 0.00 0.00 0.02 0.00 0.00 0.03 0.00 18 1 0.00 0.00 -0.01 0.09 -0.13 0.36 0.10 -0.16 0.42 19 1 0.00 0.00 -0.01 -0.09 -0.13 -0.36 0.10 0.15 0.42 20 1 0.00 0.00 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 0.01 0.00 0.00 -0.53 -0.18 -0.15 -0.49 -0.16 -0.14 23 1 0.01 0.00 0.00 0.53 -0.18 0.15 -0.49 0.16 -0.14 55 56 57 A A A Frequencies -- 3033.4185 3058.2840 3111.4739 Red. masses -- 1.1032 1.1034 1.0958 Frc consts -- 5.9810 6.0807 6.2504 IR Inten -- 3.7218 54.7742 40.9680 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 0.01 0.00 -0.09 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 0.01 0.01 6 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 7 1 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.07 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 -0.22 0.00 0.96 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 -0.04 0.01 -0.05 0.04 0.00 0.05 0.00 0.00 0.00 13 6 0.04 0.01 0.05 0.04 0.00 0.05 0.00 0.00 0.00 14 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 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 -0.01 0.00 0.00 0.00 0.00 18 1 0.11 -0.21 0.54 -0.10 0.19 -0.49 0.00 0.00 0.00 19 1 -0.11 -0.21 -0.54 -0.10 -0.19 -0.49 0.00 0.00 0.00 20 1 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 0.00 21 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 1 0.36 0.13 0.09 -0.42 -0.15 -0.10 0.00 0.00 0.00 23 1 -0.36 0.13 -0.08 -0.42 0.15 -0.10 0.00 0.00 0.00 58 59 60 A A A Frequencies -- 3160.3521 3163.3292 3182.8070 Red. masses -- 1.0857 1.0878 1.0910 Frc consts -- 6.3891 6.4135 6.5119 IR Inten -- 18.0104 2.4056 29.6817 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 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 6 1 0.00 -0.01 0.01 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 -0.01 0.01 0.02 -0.01 0.01 0.01 0.02 -0.02 -0.04 11 6 0.01 -0.05 0.00 0.01 -0.06 0.00 0.00 -0.03 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 -0.05 0.00 0.01 0.06 0.00 0.00 -0.03 0.00 15 6 0.01 0.01 -0.02 -0.01 -0.01 0.01 -0.02 -0.02 0.04 16 1 0.13 -0.16 -0.24 0.08 -0.11 -0.16 -0.26 0.31 0.49 17 1 -0.09 0.62 -0.03 -0.09 0.67 -0.03 -0.04 0.31 -0.02 18 1 0.00 0.01 -0.02 0.00 0.01 -0.03 0.00 0.00 -0.01 19 1 0.00 0.01 0.02 0.00 -0.01 -0.03 0.00 0.00 0.01 20 1 0.08 0.62 0.03 -0.09 -0.67 -0.03 0.04 0.31 0.02 21 1 -0.13 -0.16 0.24 0.08 0.11 -0.16 0.26 0.31 -0.49 22 1 0.01 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 23 1 -0.01 0.00 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 61 62 63 A A A Frequencies -- 3198.6398 3240.2362 3259.6179 Red. masses -- 1.0968 1.0893 1.1027 Frc consts -- 6.6114 6.7380 6.9028 IR Inten -- 25.2847 0.3587 8.2287 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.00 0.00 0.02 -0.04 -0.04 0.02 -0.04 -0.04 2 6 0.00 0.00 0.00 -0.02 -0.04 0.04 0.02 0.04 -0.04 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 -0.21 0.43 0.52 -0.20 0.44 0.51 6 1 0.00 0.00 0.00 0.21 0.43 -0.51 -0.20 -0.44 0.51 7 1 0.00 0.00 0.00 0.00 0.00 0.00 0.01 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 -0.01 0.00 0.00 0.00 0.00 0.00 -0.01 10 6 -0.02 0.03 0.05 0.00 0.00 0.00 0.00 0.00 0.00 11 6 0.00 0.02 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 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 6 -0.02 -0.03 0.05 0.00 0.00 0.00 0.00 0.00 0.00 16 1 0.27 -0.34 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 17 1 0.03 -0.20 0.01 0.00 0.01 0.00 0.00 -0.01 0.00 18 1 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 19 1 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 20 1 0.03 0.20 0.01 0.00 0.01 0.00 0.00 0.01 0.00 21 1 0.27 0.34 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 22 1 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 1 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 ------------------- - Thermochemistry - ------------------- Temperature 298.150 Kelvin. Pressure 1.00000 Atm. Atom 1 has atomic number 6 and mass 12.00000 Atom 2 has atomic number 6 and mass 12.00000 Atom 3 has atomic number 6 and mass 12.00000 Atom 4 has atomic number 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 -- 923.886591806.421451945.92969 X 0.99964 0.00000 -0.02684 Y 0.00000 1.00000 -0.00001 Z 0.02684 0.00001 0.99964 This molecule is an asymmetric top. Rotational symmetry number 1. Warning -- assumption of classical behavior for rotation may cause significant error Rotational temperatures (Kelvin) 0.09375 0.04795 0.04451 Rotational constants (GHZ): 1.95342 0.99907 0.92744 1 imaginary frequencies ignored. Zero-point vibrational energy 507886.3 (Joules/Mol) 121.38773 (Kcal/Mol) Warning -- explicit consideration of 12 degrees of freedom as vibrations may cause significant error Vibrational temperatures: 94.78 159.88 189.69 233.98 241.20 (Kelvin) 334.60 380.65 562.77 759.00 790.30 838.20 859.49 1008.57 1071.34 1123.96 1176.32 1177.45 1205.12 1222.08 1247.17 1332.11 1383.32 1383.72 1398.67 1450.48 1463.07 1474.67 1513.38 1542.85 1554.18 1599.02 1674.68 1708.78 1714.06 1724.88 1744.63 1775.34 1856.88 1877.61 1904.97 1971.54 2021.68 2100.09 2102.40 2134.52 2184.29 2214.28 2257.40 2263.86 2320.96 4268.45 4340.07 4362.84 4364.41 4400.18 4476.71 4547.04 4551.32 4579.34 4602.12 4661.97 4689.86 Zero-point correction= 0.193444 (Hartree/Particle) Thermal correction to Energy= 0.202931 Thermal correction to Enthalpy= 0.203876 Thermal correction to Gibbs Free Energy= 0.158437 Sum of electronic and zero-point Energies= -500.297143 Sum of electronic and thermal Energies= -500.287655 Sum of electronic and thermal Enthalpies= -500.286711 Sum of electronic and thermal Free Energies= -500.332149 E (Thermal) CV S KCal/Mol Cal/Mol-Kelvin Cal/Mol-Kelvin Total 127.341 36.671 95.633 Electronic 0.000 0.000 0.000 Translational 0.889 2.981 40.968 Rotational 0.889 2.981 29.564 Vibrational 125.564 30.709 25.101 Vibration 1 0.597 1.971 4.273 Vibration 2 0.607 1.940 3.249 Vibration 3 0.612 1.922 2.919 Vibration 4 0.623 1.888 2.519 Vibration 5 0.624 1.882 2.462 Vibration 6 0.653 1.791 1.859 Vibration 7 0.671 1.738 1.631 Vibration 8 0.759 1.489 0.996 Vibration 9 0.882 1.189 0.593 Vibration 10 0.905 1.141 0.546 Vibration 11 0.939 1.069 0.481 Vibration 12 0.955 1.037 0.454 Q Log10(Q) Ln(Q) Total Bot 0.133056D-72 -72.875967 -167.803115 Total V=0 0.126401D+17 16.101750 37.075649 Vib (Bot) 0.279785D-86 -86.553175 -199.296050 Vib (Bot) 1 0.313237D+01 0.495873 1.141791 Vib (Bot) 2 0.184267D+01 0.265447 0.611213 Vib (Bot) 3 0.154555D+01 0.189083 0.435380 Vib (Bot) 4 0.124214D+01 0.094171 0.216837 Vib (Bot) 5 0.120304D+01 0.080281 0.184853 Vib (Bot) 6 0.845961D+00 -0.072649 -0.167282 Vib (Bot) 7 0.732485D+00 -0.135201 -0.311312 Vib (Bot) 8 0.458612D+00 -0.338555 -0.779551 Vib (Bot) 9 0.303864D+00 -0.517321 -1.191176 Vib (Bot) 10 0.285897D+00 -0.543790 -1.252122 Vib (Bot) 11 0.260890D+00 -0.583542 -1.343656 Vib (Bot) 12 0.250632D+00 -0.600964 -1.383770 Vib (V=0) 0.265792D+03 2.424542 5.582714 Vib (V=0) 1 0.367203D+01 0.564906 1.300744 Vib (V=0) 2 0.240930D+01 0.381890 0.879335 Vib (V=0) 3 0.212442D+01 0.327239 0.753497 Vib (V=0) 4 0.183900D+01 0.264581 0.609221 Vib (V=0) 5 0.180281D+01 0.255950 0.589346 Vib (V=0) 6 0.148268D+01 0.171046 0.393848 Vib (V=0) 7 0.138687D+01 0.142035 0.327048 Vib (V=0) 8 0.117847D+01 0.071319 0.164219 Vib (V=0) 9 0.108509D+01 0.035467 0.081665 Vib (V=0) 10 0.107597D+01 0.031799 0.073219 Vib (V=0) 11 0.106397D+01 0.026930 0.062008 Vib (V=0) 12 0.105930D+01 0.025019 0.057608 Electronic 0.100000D+01 0.000000 0.000000 Translational 0.737190D+08 7.867579 18.115771 Rotational 0.645103D+06 5.809629 13.377165 ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000002581 0.000002792 -0.000001719 2 6 -0.000001836 -0.000005075 0.000005684 3 6 0.000000324 -0.000003849 -0.000001856 4 8 -0.000000324 0.000001541 0.000003169 5 1 -0.000000385 0.000000640 -0.000000341 6 1 -0.000000368 0.000000299 0.000000506 7 1 -0.000001800 -0.000000696 0.000002647 8 8 0.000002698 0.000001833 0.000000735 9 1 0.000001965 0.000000475 0.000001468 10 6 0.000000784 0.000000664 0.000000277 11 6 -0.000001404 0.000001420 -0.000001225 12 6 0.000000094 -0.000000662 -0.000001865 13 6 0.000000257 0.000001198 -0.000000867 14 6 0.000001233 -0.000001492 0.000000575 15 6 0.000001411 0.000001550 -0.000000418 16 1 0.000001871 0.000000198 0.000000054 17 1 0.000000620 -0.000000106 -0.000000641 18 1 -0.000000472 0.000000034 -0.000001202 19 1 -0.000001433 0.000000339 -0.000001011 20 1 -0.000001385 -0.000000057 -0.000000955 21 1 0.000000694 -0.000000124 -0.000000132 22 1 -0.000000167 -0.000000981 -0.000000754 23 1 0.000000203 0.000000061 -0.000002129 ------------------------------------------------------------------- Cartesian Forces: Max 0.000005684 RMS 0.000001611 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max 0.000003063 RMS 0.000000591 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 --- -0.02814 0.00047 0.00207 0.00262 0.00320 Eigenvalues --- 0.00509 0.00838 0.01271 0.01404 0.01457 Eigenvalues --- 0.01608 0.01637 0.01909 0.02001 0.02555 Eigenvalues --- 0.02822 0.03232 0.03250 0.03519 0.03646 Eigenvalues --- 0.03880 0.03981 0.04419 0.04942 0.05117 Eigenvalues --- 0.05644 0.05955 0.06977 0.07200 0.08429 Eigenvalues --- 0.08962 0.09810 0.10320 0.11072 0.11541 Eigenvalues --- 0.11834 0.12364 0.13155 0.14699 0.17378 Eigenvalues --- 0.22025 0.23168 0.24435 0.26721 0.28153 Eigenvalues --- 0.29530 0.29696 0.31246 0.32495 0.32656 Eigenvalues --- 0.32770 0.33124 0.34547 0.35130 0.35372 Eigenvalues --- 0.35380 0.35551 0.35788 0.35961 0.40531 Eigenvalues --- 0.42060 0.42957 0.43982 Eigenvectors required to have negative eigenvalues: R4 R7 D5 D1 D11 1 -0.54417 -0.54415 -0.15998 0.15997 0.14213 D29 D93 D49 D61 D80 1 -0.14212 0.12527 -0.12527 0.11899 -0.11899 Angle between quadratic step and forces= 74.41 degrees. Linear search not attempted -- option 19 set. Iteration 1 RMS(Cart)= 0.00004037 RMS(Int)= 0.00000000 Iteration 2 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000000 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.61426 0.00000 0.00000 -0.00001 -0.00001 2.61425 R2 2.63213 0.00000 0.00000 0.00000 0.00000 2.63212 R3 2.04356 0.00000 0.00000 0.00000 0.00000 2.04356 R4 4.34830 0.00000 0.00000 0.00003 0.00003 4.34832 R5 2.04355 0.00000 0.00000 0.00000 0.00000 2.04356 R6 2.63213 0.00000 0.00000 -0.00001 -0.00001 2.63212 R7 4.34836 0.00000 0.00000 -0.00004 -0.00004 4.34832 R8 2.68441 0.00000 0.00000 -0.00001 -0.00001 2.68440 R9 2.08725 0.00000 0.00000 0.00000 0.00000 2.08725 R10 2.68439 0.00000 0.00000 0.00001 0.00001 2.68440 R11 2.06655 0.00000 0.00000 0.00000 0.00000 2.06655 R12 4.42221 0.00000 0.00000 -0.00022 -0.00022 4.42199 R13 4.42176 0.00000 0.00000 0.00023 0.00023 4.42199 R14 2.61306 0.00000 0.00000 0.00000 0.00000 2.61306 R15 2.66722 0.00000 0.00000 0.00000 0.00000 2.66722 R16 2.05428 0.00000 0.00000 0.00000 0.00000 2.05428 R17 2.86223 0.00000 0.00000 0.00000 0.00000 2.86224 R18 2.05777 0.00000 0.00000 0.00000 0.00000 2.05777 R19 2.94355 0.00000 0.00000 0.00000 0.00000 2.94355 R20 2.07553 0.00000 0.00000 0.00000 0.00000 2.07553 R21 2.07629 0.00000 0.00000 0.00000 0.00000 2.07629 R22 2.86223 0.00000 0.00000 0.00000 0.00000 2.86224 R23 2.07552 0.00000 0.00000 0.00000 0.00000 2.07553 R24 2.07629 0.00000 0.00000 0.00000 0.00000 2.07629 R25 2.61306 0.00000 0.00000 0.00000 0.00000 2.61306 R26 2.05777 0.00000 0.00000 0.00000 0.00000 2.05777 R27 2.05428 0.00000 0.00000 0.00000 0.00000 2.05428 A1 1.90155 0.00000 0.00000 0.00001 0.00001 1.90156 A2 2.22089 0.00000 0.00000 0.00000 0.00000 2.22089 A3 1.86841 0.00000 0.00000 -0.00002 -0.00002 1.86838 A4 2.03263 0.00000 0.00000 0.00001 0.00001 2.03264 A5 1.78484 0.00000 0.00000 -0.00001 -0.00001 1.78483 A6 1.54604 0.00000 0.00000 0.00001 0.00001 1.54605 A7 2.22090 0.00000 0.00000 -0.00001 -0.00001 2.22089 A8 1.90156 0.00000 0.00000 0.00000 0.00000 1.90156 A9 1.86835 0.00000 0.00000 0.00003 0.00003 1.86838 A10 2.03264 0.00000 0.00000 0.00000 0.00000 2.03264 A11 1.54607 0.00000 0.00000 -0.00002 -0.00002 1.54605 A12 1.78482 0.00000 0.00000 0.00001 0.00001 1.78483 A13 1.91794 0.00000 0.00000 0.00001 0.00001 1.91795 A14 1.87260 0.00000 0.00000 0.00000 0.00000 1.87260 A15 1.91221 0.00000 0.00000 0.00000 0.00000 1.91220 A16 1.91794 0.00000 0.00000 0.00001 0.00001 1.91795 A17 1.93005 0.00000 0.00000 0.00000 0.00000 1.93005 A18 1.91222 0.00000 0.00000 -0.00002 -0.00002 1.91220 A19 1.84721 0.00000 0.00000 0.00000 0.00000 1.84721 A20 1.81539 0.00000 0.00000 0.00002 0.00002 1.81541 A21 1.81541 0.00000 0.00000 0.00000 0.00000 1.81541 A22 1.84721 0.00000 0.00000 0.00000 0.00000 1.84721 A23 2.06894 0.00000 0.00000 -0.00001 -0.00001 2.06893 A24 2.09667 0.00000 0.00000 0.00001 0.00001 2.09668 A25 2.09024 0.00000 0.00000 0.00000 0.00000 2.09024 A26 1.69850 0.00000 0.00000 -0.00001 -0.00001 1.69849 A27 1.64390 0.00000 0.00000 0.00004 0.00004 1.64394 A28 1.73625 0.00000 0.00000 0.00001 0.00001 1.73626 A29 2.10609 0.00000 0.00000 -0.00002 -0.00002 2.10607 A30 2.07695 0.00000 0.00000 0.00001 0.00001 2.07695 A31 2.02369 0.00000 0.00000 0.00000 0.00000 2.02368 A32 1.96917 0.00000 0.00000 0.00001 0.00001 1.96917 A33 1.92273 0.00000 0.00000 0.00001 0.00001 1.92274 A34 1.88599 0.00000 0.00000 -0.00002 -0.00002 1.88597 A35 1.93666 0.00000 0.00000 0.00000 0.00000 1.93667 A36 1.90563 0.00000 0.00000 -0.00001 -0.00001 1.90562 A37 1.83824 0.00000 0.00000 0.00001 0.00001 1.83825 A38 1.96918 0.00000 0.00000 0.00000 0.00000 1.96917 A39 1.93667 0.00000 0.00000 0.00000 0.00000 1.93667 A40 1.90562 0.00000 0.00000 0.00000 0.00000 1.90562 A41 1.92274 0.00000 0.00000 -0.00001 -0.00001 1.92274 A42 1.88595 0.00000 0.00000 0.00002 0.00002 1.88597 A43 1.83825 0.00000 0.00000 0.00000 0.00000 1.83825 A44 1.64396 0.00000 0.00000 -0.00003 -0.00003 1.64394 A45 1.69848 0.00000 0.00000 0.00001 0.00001 1.69849 A46 1.73629 0.00000 0.00000 -0.00003 -0.00003 1.73626 A47 2.10606 0.00000 0.00000 0.00001 0.00001 2.10607 A48 2.02367 0.00000 0.00000 0.00001 0.00001 2.02368 A49 2.07695 0.00000 0.00000 0.00000 0.00000 2.07695 A50 2.06893 0.00000 0.00000 0.00001 0.00001 2.06893 A51 2.09025 0.00000 0.00000 0.00000 0.00000 2.09024 A52 2.09669 0.00000 0.00000 -0.00001 -0.00001 2.09668 A53 1.77321 0.00000 0.00000 -0.00009 -0.00009 1.77312 A54 1.77305 0.00000 0.00000 0.00007 0.00007 1.77312 D1 -2.59241 0.00000 0.00000 0.00002 0.00002 -2.59239 D2 0.00001 0.00000 0.00000 -0.00001 -0.00001 0.00000 D3 1.91792 0.00000 0.00000 0.00002 0.00002 1.91794 D4 -0.00004 0.00000 0.00000 0.00004 0.00004 0.00000 D5 2.59237 0.00000 0.00000 0.00002 0.00002 2.59239 D6 -1.77290 0.00000 0.00000 0.00005 0.00005 -1.77285 D7 1.77281 0.00000 0.00000 0.00004 0.00004 1.77285 D8 -1.91796 0.00000 0.00000 0.00001 0.00001 -1.91794 D9 -0.00004 0.00000 0.00000 0.00005 0.00005 0.00000 D10 0.18717 0.00000 0.00000 -0.00001 -0.00001 0.18717 D11 -2.47171 0.00000 0.00000 -0.00003 -0.00003 -2.47174 D12 2.16069 0.00000 0.00000 -0.00004 -0.00004 2.16065 D13 1.28043 0.00000 0.00000 -0.00002 -0.00002 1.28041 D14 -2.44534 0.00000 0.00000 0.00001 0.00001 -2.44533 D15 -0.64758 0.00000 0.00000 0.00000 0.00000 -0.64757 D16 -1.12701 0.00000 0.00000 -0.00005 -0.00005 -1.12706 D17 0.99656 0.00000 0.00000 -0.00005 -0.00005 0.99651 D18 3.11071 0.00000 0.00000 -0.00005 -0.00005 3.11066 D19 -3.12497 0.00000 0.00000 -0.00004 -0.00004 -3.12502 D20 -1.00141 0.00000 0.00000 -0.00004 -0.00004 -1.00145 D21 1.11274 0.00000 0.00000 -0.00004 -0.00004 1.11270 D22 1.11980 0.00000 0.00000 -0.00005 -0.00005 1.11975 D23 -3.03982 0.00000 0.00000 -0.00005 -0.00005 -3.03987 D24 -0.92567 0.00000 0.00000 -0.00005 -0.00005 -0.92572 D25 -1.28039 0.00000 0.00000 -0.00002 -0.00002 -1.28041 D26 2.44532 0.00000 0.00000 0.00000 0.00000 2.44533 D27 0.64757 0.00000 0.00000 0.00000 0.00000 0.64757 D28 -0.18719 0.00000 0.00000 0.00002 0.00002 -0.18717 D29 2.47175 0.00000 0.00000 0.00000 0.00000 2.47174 D30 -2.16063 0.00000 0.00000 -0.00002 -0.00002 -2.16065 D31 -0.99647 0.00000 0.00000 -0.00004 -0.00004 -0.99651 D32 1.12712 0.00000 0.00000 -0.00006 -0.00006 1.12706 D33 -3.11061 0.00000 0.00000 -0.00005 -0.00005 -3.11066 D34 3.03990 0.00000 0.00000 -0.00003 -0.00003 3.03987 D35 -1.11971 0.00000 0.00000 -0.00004 -0.00004 -1.11975 D36 0.92576 0.00000 0.00000 -0.00004 -0.00004 0.92572 D37 1.00147 0.00000 0.00000 -0.00003 -0.00003 1.00145 D38 3.12506 0.00000 0.00000 -0.00004 -0.00004 3.12502 D39 -1.11267 0.00000 0.00000 -0.00003 -0.00003 -1.11270 D40 1.78321 0.00000 0.00000 0.00004 0.00004 1.78325 D41 -0.30146 0.00000 0.00000 0.00002 0.00002 -0.30144 D42 -2.37607 0.00000 0.00000 0.00004 0.00004 -2.37603 D43 0.30146 0.00000 0.00000 -0.00002 -0.00002 0.30144 D44 -1.78321 0.00000 0.00000 -0.00004 -0.00004 -1.78325 D45 2.37607 0.00000 0.00000 -0.00003 -0.00003 2.37604 D46 0.34148 0.00000 0.00000 0.00001 0.00001 0.34149 D47 -0.34151 0.00000 0.00000 0.00002 0.00002 -0.34149 D48 1.15234 0.00000 0.00000 0.00000 0.00000 1.15234 D49 -0.58093 0.00000 0.00000 -0.00003 -0.00003 -0.58096 D50 2.98723 0.00000 0.00000 0.00001 0.00001 2.98724 D51 -1.73970 0.00000 0.00000 0.00000 0.00000 -1.73970 D52 2.81022 0.00000 0.00000 -0.00004 -0.00004 2.81018 D53 0.09519 0.00000 0.00000 0.00001 0.00001 0.09520 D54 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D55 -2.89300 0.00000 0.00000 0.00002 0.00002 -2.89298 D56 2.89298 0.00000 0.00000 0.00000 0.00000 2.89298 D57 -0.00002 0.00000 0.00000 0.00002 0.00002 0.00000 D58 -1.21350 0.00000 0.00000 0.00008 0.00008 -1.21342 D59 0.96144 0.00000 0.00000 0.00009 0.00009 0.96153 D60 2.96110 0.00000 0.00000 0.00010 0.00010 2.96120 D61 0.55039 0.00000 0.00000 0.00009 0.00009 0.55048 D62 2.72532 0.00000 0.00000 0.00010 0.00010 2.72542 D63 -1.55820 0.00000 0.00000 0.00011 0.00011 -1.55809 D64 -3.00539 0.00000 0.00000 0.00005 0.00005 -3.00534 D65 -0.83045 0.00000 0.00000 0.00006 0.00006 -0.83039 D66 1.16921 0.00000 0.00000 0.00007 0.00007 1.16928 D67 0.00010 0.00000 0.00000 -0.00010 -0.00010 0.00000 D68 2.16743 0.00000 0.00000 -0.00011 -0.00011 2.16732 D69 -2.09720 0.00000 0.00000 -0.00012 -0.00012 -2.09732 D70 -2.16720 0.00000 0.00000 -0.00012 -0.00012 -2.16732 D71 0.00013 0.00000 0.00000 -0.00013 -0.00013 0.00000 D72 2.01868 0.00000 0.00000 -0.00013 -0.00013 2.01855 D73 2.09744 0.00000 0.00000 -0.00012 -0.00012 2.09732 D74 -2.01842 0.00000 0.00000 -0.00013 -0.00013 -2.01855 D75 0.00014 0.00000 0.00000 -0.00014 -0.00014 0.00000 D76 -0.61977 0.00000 0.00000 -0.00003 -0.00003 -0.61980 D77 1.57372 0.00000 0.00000 -0.00001 -0.00001 1.57371 D78 -2.64954 0.00000 0.00000 -0.00002 -0.00002 -2.64956 D79 1.21336 0.00000 0.00000 0.00007 0.00007 1.21342 D80 -0.55055 0.00000 0.00000 0.00007 0.00007 -0.55048 D81 3.00532 0.00000 0.00000 0.00002 0.00002 3.00534 D82 -0.96161 0.00000 0.00000 0.00008 0.00008 -0.96153 D83 -2.72551 0.00000 0.00000 0.00008 0.00008 -2.72543 D84 0.83036 0.00000 0.00000 0.00003 0.00003 0.83039 D85 -2.96127 0.00000 0.00000 0.00008 0.00008 -2.96120 D86 1.55801 0.00000 0.00000 0.00008 0.00008 1.55809 D87 -1.16931 0.00000 0.00000 0.00003 0.00003 -1.16928 D88 -1.57370 0.00000 0.00000 -0.00001 -0.00001 -1.57371 D89 0.61982 0.00000 0.00000 -0.00003 -0.00003 0.61980 D90 2.64957 0.00000 0.00000 -0.00001 -0.00001 2.64956 D91 -1.15235 0.00000 0.00000 0.00001 0.00001 -1.15234 D92 1.73970 0.00000 0.00000 0.00000 0.00000 1.73970 D93 0.58098 0.00000 0.00000 -0.00002 -0.00002 0.58096 D94 -2.81015 0.00000 0.00000 -0.00003 -0.00003 -2.81018 D95 -2.98728 0.00000 0.00000 0.00004 0.00004 -2.98724 D96 -0.09523 0.00000 0.00000 0.00003 0.00003 -0.09520 Item Value Threshold Converged? Maximum Force 0.000003 0.000450 YES RMS Force 0.000001 0.000300 YES Maximum Displacement 0.000216 0.001800 YES RMS Displacement 0.000040 0.001200 YES Predicted change in Energy=-6.855258D-10 Optimization completed. -- Stationary point found. ---------------------------- ! Optimized Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.3834 -DE/DX = 0.0 ! ! R2 R(1,4) 1.3929 -DE/DX = 0.0 ! ! R3 R(1,5) 1.0814 -DE/DX = 0.0 ! ! R4 R(1,14) 2.301 -DE/DX = 0.0 ! ! R5 R(2,6) 1.0814 -DE/DX = 0.0 ! ! R6 R(2,8) 1.3929 -DE/DX = 0.0 ! ! R7 R(2,11) 2.3011 -DE/DX = 0.0 ! ! R8 R(3,4) 1.4205 -DE/DX = 0.0 ! ! R9 R(3,7) 1.1045 -DE/DX = 0.0 ! ! R10 R(3,8) 1.4205 -DE/DX = 0.0 ! ! R11 R(3,9) 1.0936 -DE/DX = 0.0 ! ! R12 R(5,19) 2.3401 -DE/DX = 0.0 ! ! R13 R(6,18) 2.3399 -DE/DX = 0.0 ! ! R14 R(10,11) 1.3828 -DE/DX = 0.0 ! ! R15 R(10,15) 1.4114 -DE/DX = 0.0 ! ! R16 R(10,16) 1.0871 -DE/DX = 0.0 ! ! R17 R(11,12) 1.5146 -DE/DX = 0.0 ! ! R18 R(11,17) 1.0889 -DE/DX = 0.0 ! ! R19 R(12,13) 1.5577 -DE/DX = 0.0 ! ! R20 R(12,18) 1.0983 -DE/DX = 0.0 ! ! R21 R(12,22) 1.0987 -DE/DX = 0.0 ! ! R22 R(13,14) 1.5146 -DE/DX = 0.0 ! ! R23 R(13,19) 1.0983 -DE/DX = 0.0 ! ! R24 R(13,23) 1.0987 -DE/DX = 0.0 ! ! R25 R(14,15) 1.3828 -DE/DX = 0.0 ! ! R26 R(14,20) 1.0889 -DE/DX = 0.0 ! ! R27 R(15,21) 1.0871 -DE/DX = 0.0 ! ! A1 A(2,1,4) 108.9508 -DE/DX = 0.0 ! ! A2 A(2,1,5) 127.2476 -DE/DX = 0.0 ! ! A3 A(2,1,14) 107.0518 -DE/DX = 0.0 ! ! A4 A(4,1,5) 116.4612 -DE/DX = 0.0 ! ! A5 A(4,1,14) 102.264 -DE/DX = 0.0 ! ! A6 A(5,1,14) 88.5816 -DE/DX = 0.0 ! ! A7 A(1,2,6) 127.2481 -DE/DX = 0.0 ! ! A8 A(1,2,8) 108.9511 -DE/DX = 0.0 ! ! A9 A(1,2,11) 107.0487 -DE/DX = 0.0 ! ! A10 A(6,2,8) 116.4618 -DE/DX = 0.0 ! ! A11 A(6,2,11) 88.5833 -DE/DX = 0.0 ! ! A12 A(8,2,11) 102.2626 -DE/DX = 0.0 ! ! A13 A(4,3,7) 109.8899 -DE/DX = 0.0 ! ! A14 A(4,3,8) 107.2922 -DE/DX = 0.0 ! ! A15 A(4,3,9) 109.5613 -DE/DX = 0.0 ! ! A16 A(7,3,8) 109.8897 -DE/DX = 0.0 ! ! A17 A(7,3,9) 110.5837 -DE/DX = 0.0 ! ! A18 A(8,3,9) 109.562 -DE/DX = 0.0 ! ! A19 A(1,4,3) 105.8375 -DE/DX = 0.0 ! ! A20 A(1,5,19) 104.0143 -DE/DX = 0.0 ! ! A21 A(2,6,18) 104.0151 -DE/DX = 0.0 ! ! A22 A(2,8,3) 105.8375 -DE/DX = 0.0 ! ! A23 A(11,10,15) 118.5416 -DE/DX = 0.0 ! ! A24 A(11,10,16) 120.1306 -DE/DX = 0.0 ! ! A25 A(15,10,16) 119.7619 -DE/DX = 0.0 ! ! A26 A(2,11,10) 97.3167 -DE/DX = 0.0 ! ! A27 A(2,11,12) 94.1885 -DE/DX = 0.0 ! ! A28 A(2,11,17) 99.4799 -DE/DX = 0.0 ! ! A29 A(10,11,12) 120.67 -DE/DX = 0.0 ! ! A30 A(10,11,17) 119.0002 -DE/DX = 0.0 ! ! A31 A(12,11,17) 115.9488 -DE/DX = 0.0 ! ! A32 A(11,12,13) 112.825 -DE/DX = 0.0 ! ! A33 A(11,12,18) 110.1643 -DE/DX = 0.0 ! ! A34 A(11,12,22) 108.059 -DE/DX = 0.0 ! ! A35 A(13,12,18) 110.9627 -DE/DX = 0.0 ! ! A36 A(13,12,22) 109.1847 -DE/DX = 0.0 ! ! A37 A(18,12,22) 105.3233 -DE/DX = 0.0 ! ! A38 A(12,13,14) 112.8257 -DE/DX = 0.0 ! ! A39 A(12,13,19) 110.963 -DE/DX = 0.0 ! ! A40 A(12,13,23) 109.1841 -DE/DX = 0.0 ! ! A41 A(14,13,19) 110.1651 -DE/DX = 0.0 ! ! A42 A(14,13,23) 108.0572 -DE/DX = 0.0 ! ! A43 A(19,13,23) 105.3239 -DE/DX = 0.0 ! ! A44 A(1,14,13) 94.1922 -DE/DX = 0.0 ! ! A45 A(1,14,15) 97.3159 -DE/DX = 0.0 ! ! A46 A(1,14,20) 99.4824 -DE/DX = 0.0 ! ! A47 A(13,14,15) 120.6685 -DE/DX = 0.0 ! ! A48 A(13,14,20) 115.948 -DE/DX = 0.0 ! ! A49 A(15,14,20) 119.0003 -DE/DX = 0.0 ! ! A50 A(10,15,14) 118.5407 -DE/DX = 0.0 ! ! A51 A(10,15,21) 119.7623 -DE/DX = 0.0 ! ! A52 A(14,15,21) 120.1313 -DE/DX = 0.0 ! ! A53 A(6,18,12) 101.5972 -DE/DX = 0.0 ! ! A54 A(5,19,13) 101.5881 -DE/DX = 0.0 ! ! D1 D(4,1,2,6) -148.5342 -DE/DX = 0.0 ! ! D2 D(4,1,2,8) 0.0004 -DE/DX = 0.0 ! ! D3 D(4,1,2,11) 109.8886 -DE/DX = 0.0 ! ! D4 D(5,1,2,6) -0.0026 -DE/DX = 0.0 ! ! D5 D(5,1,2,8) 148.532 -DE/DX = 0.0 ! ! D6 D(5,1,2,11) -101.5798 -DE/DX = 0.0 ! ! D7 D(14,1,2,6) 101.5747 -DE/DX = 0.0 ! ! D8 D(14,1,2,8) -109.8907 -DE/DX = 0.0 ! ! D9 D(14,1,2,11) -0.0026 -DE/DX = 0.0 ! ! D10 D(2,1,4,3) 10.7242 -DE/DX = 0.0 ! ! D11 D(5,1,4,3) -141.6188 -DE/DX = 0.0 ! ! D12 D(14,1,4,3) 123.7984 -DE/DX = 0.0 ! ! D13 D(2,1,5,19) 73.3632 -DE/DX = 0.0 ! ! D14 D(4,1,5,19) -140.1075 -DE/DX = 0.0 ! ! D15 D(14,1,5,19) -37.1033 -DE/DX = 0.0 ! ! D16 D(2,1,14,13) -64.5728 -DE/DX = 0.0 ! ! D17 D(2,1,14,15) 57.0986 -DE/DX = 0.0 ! ! D18 D(2,1,14,20) 178.2303 -DE/DX = 0.0 ! ! D19 D(4,1,14,13) -179.0478 -DE/DX = 0.0 ! ! D20 D(4,1,14,15) -57.3764 -DE/DX = 0.0 ! ! D21 D(4,1,14,20) 63.7553 -DE/DX = 0.0 ! ! D22 D(5,1,14,13) 64.16 -DE/DX = 0.0 ! ! D23 D(5,1,14,15) -174.1686 -DE/DX = 0.0 ! ! D24 D(5,1,14,20) -53.0368 -DE/DX = 0.0 ! ! D25 D(1,2,6,18) -73.361 -DE/DX = 0.0 ! ! D26 D(8,2,6,18) 140.1067 -DE/DX = 0.0 ! ! D27 D(11,2,6,18) 37.1032 -DE/DX = 0.0 ! ! D28 D(1,2,8,3) -10.7249 -DE/DX = 0.0 ! ! D29 D(6,2,8,3) 141.6206 -DE/DX = 0.0 ! ! D30 D(11,2,8,3) -123.7951 -DE/DX = 0.0 ! ! D31 D(1,2,11,10) -57.0933 -DE/DX = 0.0 ! ! D32 D(1,2,11,12) 64.579 -DE/DX = 0.0 ! ! D33 D(1,2,11,17) -178.2246 -DE/DX = 0.0 ! ! D34 D(6,2,11,10) 174.1732 -DE/DX = 0.0 ! ! D35 D(6,2,11,12) -64.1544 -DE/DX = 0.0 ! ! D36 D(6,2,11,17) 53.042 -DE/DX = 0.0 ! ! D37 D(8,2,11,10) 57.3802 -DE/DX = 0.0 ! ! D38 D(8,2,11,12) 179.0525 -DE/DX = 0.0 ! ! D39 D(8,2,11,17) -63.7511 -DE/DX = 0.0 ! ! D40 D(7,3,4,1) 102.1705 -DE/DX = 0.0 ! ! D41 D(8,3,4,1) -17.2722 -DE/DX = 0.0 ! ! D42 D(9,3,4,1) -136.1389 -DE/DX = 0.0 ! ! D43 D(4,3,8,2) 17.2724 -DE/DX = 0.0 ! ! D44 D(7,3,8,2) -102.1704 -DE/DX = 0.0 ! ! D45 D(9,3,8,2) 136.1387 -DE/DX = 0.0 ! ! D46 D(1,5,19,13) 19.5656 -DE/DX = 0.0 ! ! D47 D(2,6,18,12) -19.5671 -DE/DX = 0.0 ! ! D48 D(15,10,11,2) 66.0245 -DE/DX = 0.0 ! ! D49 D(15,10,11,12) -33.2846 -DE/DX = 0.0 ! ! D50 D(15,10,11,17) 171.1557 -DE/DX = 0.0 ! ! D51 D(16,10,11,2) -99.6773 -DE/DX = 0.0 ! ! D52 D(16,10,11,12) 161.0137 -DE/DX = 0.0 ! ! D53 D(16,10,11,17) 5.454 -DE/DX = 0.0 ! ! D54 D(11,10,15,14) -0.0001 -DE/DX = 0.0 ! ! D55 D(11,10,15,21) -165.7567 -DE/DX = 0.0 ! ! D56 D(16,10,15,14) 165.7556 -DE/DX = 0.0 ! ! D57 D(16,10,15,21) -0.0009 -DE/DX = 0.0 ! ! D58 D(2,11,12,13) -69.5283 -DE/DX = 0.0 ! ! D59 D(2,11,12,18) 55.0863 -DE/DX = 0.0 ! ! D60 D(2,11,12,22) 169.6587 -DE/DX = 0.0 ! ! D61 D(10,11,12,13) 31.5349 -DE/DX = 0.0 ! ! D62 D(10,11,12,18) 156.1495 -DE/DX = 0.0 ! ! D63 D(10,11,12,22) -89.2781 -DE/DX = 0.0 ! ! D64 D(17,11,12,13) -172.196 -DE/DX = 0.0 ! ! D65 D(17,11,12,18) -47.5813 -DE/DX = 0.0 ! ! D66 D(17,11,12,22) 66.9911 -DE/DX = 0.0 ! ! D67 D(11,12,13,14) 0.0056 -DE/DX = 0.0 ! ! D68 D(11,12,13,19) 124.1845 -DE/DX = 0.0 ! ! D69 D(11,12,13,23) -120.1608 -DE/DX = 0.0 ! ! D70 D(18,12,13,14) -124.1715 -DE/DX = 0.0 ! ! D71 D(18,12,13,19) 0.0074 -DE/DX = 0.0 ! ! D72 D(18,12,13,23) 115.6621 -DE/DX = 0.0 ! ! D73 D(22,12,13,14) 120.1744 -DE/DX = 0.0 ! ! D74 D(22,12,13,19) -115.6467 -DE/DX = 0.0 ! ! D75 D(22,12,13,23) 0.0079 -DE/DX = 0.0 ! ! D76 D(11,12,18,6) -35.51 -DE/DX = 0.0 ! ! D77 D(13,12,18,6) 90.1677 -DE/DX = 0.0 ! ! D78 D(22,12,18,6) -151.8074 -DE/DX = 0.0 ! ! D79 D(12,13,14,1) 69.5201 -DE/DX = 0.0 ! ! D80 D(12,13,14,15) -31.5441 -DE/DX = 0.0 ! ! D81 D(12,13,14,20) 172.1923 -DE/DX = 0.0 ! ! D82 D(19,13,14,1) -55.0959 -DE/DX = 0.0 ! ! D83 D(19,13,14,15) -156.1602 -DE/DX = 0.0 ! ! D84 D(19,13,14,20) 47.5762 -DE/DX = 0.0 ! ! D85 D(23,13,14,1) -169.6685 -DE/DX = 0.0 ! ! D86 D(23,13,14,15) 89.2672 -DE/DX = 0.0 ! ! D87 D(23,13,14,20) -66.9963 -DE/DX = 0.0 ! ! D88 D(12,13,19,5) -90.1661 -DE/DX = 0.0 ! ! D89 D(14,13,19,5) 35.5133 -DE/DX = 0.0 ! ! D90 D(23,13,19,5) 151.8093 -DE/DX = 0.0 ! ! D91 D(1,14,15,10) -66.025 -DE/DX = 0.0 ! ! D92 D(1,14,15,21) 99.6775 -DE/DX = 0.0 ! ! D93 D(13,14,15,10) 33.2877 -DE/DX = 0.0 ! ! D94 D(13,14,15,21) -161.0099 -DE/DX = 0.0 ! ! D95 D(20,14,15,10) -171.1587 -DE/DX = 0.0 ! ! D96 D(20,14,15,21) -5.4562 -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,-0.755776,-0.691652,-0.889961|C ,-0.755804,0.691753,-0.889901|C,-2.587463,-0.000023,0.207529|O,-1.7971 39,-1.144049,-0.083139|H,-0.450589,-1.346141,-1.694907|H,-0.45061,1.34 6332,-1.69477|H,-3.494608,-0.000006,-0.422603|O,-1.797179,1.144044,-0. 083033|H,-2.85575,-0.000083,1.267679|C,0.813609,0.705587,1.466812|C,1. 102815,1.366375,0.287077|C,2.082704,0.778925,-0.707316|C,2.082785,-0.7 78737,-0.707396|C,1.102863,-1.366407,0.286837|C,0.813634,-0.705847,1.4 66694|H,0.370299,1.245132,2.299942|H,0.96394,2.445321,0.238584|H,1.882 702,1.171902,-1.713237|H,1.882954,-1.171636,-1.713381|H,0.964077,-2.44 5356,0.238159|H,0.370359,-1.245553,2.299737|H,3.087743,1.140021,-0.449 05|H,3.087829,-1.139744,-0.449027||Version=EM64W-G09RevD.01|State=1-A| HF=-500.4905865|RMSD=1.627e-009|RMSF=1.611e-006|ZeroPoint=0.1934437|Th ermal=0.2029314|Dipole=0.0502466,0.0000242,-0.4264839|DipoleDeriv=0.71 03394,0.2521038,-0.033055,0.5385211,0.1342799,0.0299801,-0.4328539,-0. 1056312,0.0900065,0.7103716,-0.2521177,-0.0330754,-0.5384737,0.1342491 ,-0.0299825,-0.4329431,0.1056199,0.0900104,1.3199302,0.0000097,-0.0263 832,0.0000403,0.6170335,0.0000152,-0.2495505,0.0000064,0.501861,-1.220 5585,-0.0243309,0.0862782,-0.0338379,-0.5101383,-0.0637485,0.6139938,0 .1059751,-0.2106962,0.0049478,-0.0414923,0.0177606,-0.0010736,0.061712 7,-0.038464,0.0281673,-0.0945139,-0.0358259,0.004948,0.0414814,0.01777 6,0.0010612,0.0616985,0.038469,0.0281681,0.0945272,-0.0358064,-0.31677 83,0.0000003,-0.0730021,0.0000042,0.0166629,0.0000019,-0.1920931,0.000 0022,-0.0850759,-1.2205802,0.0243298,0.0862611,0.0337519,-0.5101378,0. 0637224,0.6140412,-0.1060073,-0.2106804,-0.0519711,0.0000001,0.0022532 ,-0.0000095,0.0305968,0.0000074,0.1117988,0.0000093,-0.1368496,-0.1583 333,-0.2056349,-0.116042,0.0343311,-0.0098909,0.0155129,-0.1810341,0.0 327171,-0.0359104,0.1643234,0.1542703,-0.0473374,0.0074347,0.1160737,- 0.0166786,0.0319259,0.0038597,0.0086635,0.1006103,0.0028014,0.0628937, 0.0070507,-0.0026518,-0.0130721,-0.0189098,-0.1020315,0.1849151,0.1005 701,-0.0027954,0.0628802,-0.007042,-0.0026708,0.0130567,-0.0189273,0.1 020108,0.1849483,0.1643747,-0.1543057,-0.0473662,-0.0074507,0.1160801, 0.0166912,0.0319508,-0.0038484,0.0086623,-0.1583544,0.2056694,-0.11599 84,-0.034286,-0.0098851,-0.0155049,-0.1810555,-0.0327087,-0.0359285,0. 0642744,0.0498664,0.1183162,0.0177418,0.0108403,-0.0636635,0.0528661,- 0.0608346,-0.0511588,0.0293772,-0.0113483,0.027611,0.0154278,-0.137747 9,-0.0021719,0.0343565,-0.0164841,0.0383344,0.0303399,0.0411053,-0.068 9191,0.0077919,-0.0196298,0.0599567,0.0350105,0.1059275,-0.1484511,0.0 303484,-0.0410763,-0.0688847,-0.0077766,-0.0196127,-0.0599539,0.035036 6,-0.1059103,-0.1484701,0.0293678,0.0113684,0.0276123,-0.0154236,-0.13 77599,0.0021401,0.034349,0.016459,0.0383414,0.0642789,-0.0498834,0.118 2968,-0.017748,0.0108195,0.0636764,0.0528614,0.0608455,-0.0511357,-0.2 009141,-0.1145364,0.0010642,-0.015043,0.0250314,-0.0144404,0.0014359,0 .0088582,0.0201298,-0.2009122,0.114515,0.0010599,0.0150081,0.0250467,0 .0144502,0.0014055,-0.0088478,0.0201163|Polar=113.3548453,-0.000628,96 .1871328,1.7697809,-0.0005277,95.2211234|PG=C01 [X(C9H12O2)]|NImag=1|| 0.28620041,0.00398839,0.69120314,-0.24084418,0.18434008,0.42241389,-0. 05829344,0.05320325,-0.00368896,0.28621038,-0.05319263,-0.34536113,-0. 02066812,-0.00396642,0.69124815,-0.00369662,0.02064787,-0.07957510,-0. 24084892,-0.18432605,0.42236453,-0.03422746,0.01713523,0.02569203,-0.0 3422643,-0.01713904,0.02569031,0.59521516,0.04387759,0.00780199,-0.034 44638,-0.04388182,0.00779514,0.03445020,0.00001394,0.36736304,0.029882 76,-0.01458435,-0.02118907,0.02987877,0.01458844,-0.02118475,-0.030427 55,-0.00001885,0.66570669,-0.13743481,-0.06926128,0.09354864,-0.029477 35,-0.02116686,0.03197195,-0.12933571,0.05240883,0.01584956,0.33096374 ,-0.03210180,-0.10781868,0.02006664,-0.02217845,-0.04234690,0.01461211 ,0.03531007,-0.14113200,0.00141741,-0.01947108,0.35301016,0.07910760,0 .04229959,-0.10330272,0.03834433,0.03007930,-0.01359811,0.02154296,-0. 00440393,-0.07568560,-0.15893608,-0.04116611,0.17493421,-0.04715548,0. 03260154,0.06917360,0.00316653,0.00908328,0.00131764,-0.00073147,-0.00 602223,0.00488087,-0.01560827,0.01591541,0.01866535,0.06805608,0.04495 639,-0.17052460,-0.14559233,0.00940047,-0.00642368,-0.02127610,-0.0018 0804,-0.00212313,0.00207496,-0.00566157,0.01138742,0.01105096,-0.05088 005,0.17006505,0.08564891,-0.15484883,-0.19997557,-0.00279480,0.009759 68,0.00792162,-0.00167983,0.00132765,-0.00245343,0.00740147,-0.0058822 0,-0.00880199,-0.08097468,0.14905444,0.21123615,0.00316728,-0.00908141 ,0.00131507,-0.04715891,-0.03261336,0.06917181,-0.00073154,0.00602179, 0.00488143,0.00472681,0.00000070,0.00019286,-0.00135811,0.00030302,-0. 00097035,0.06805767,-0.00940054,-0.00642453,0.02127405,-0.04496700,-0. 17055945,0.14559713,0.00180843,-0.00212275,-0.00207484,-0.00065343,-0. 00395658,0.00049237,-0.00030293,-0.00014698,-0.00081736,0.05089033,0.1 7009943,-0.00279556,-0.00976071,0.00792203,0.08564431,0.15485294,-0.19 994181,-0.00167955,-0.00132768,-0.00245358,0.00090563,-0.00267021,0.00 145378,-0.00097049,0.00081745,-0.00068583,-0.08097122,-0.14906090,0.21 120174,0.00103164,0.00088001,-0.00136951,0.00103182,-0.00087976,-0.001 36937,-0.19666261,0.00000304,-0.10648039,-0.01958890,0.01782028,-0.007 26118,-0.00036707,0.00009565,-0.00006521,-0.00036706,-0.00009564,-0.00 006521,0.22631748,-0.00461578,-0.00239830,0.00727196,0.00461610,-0.002 39753,-0.00727219,0.00000351,-0.04502906,0.00000381,0.03588263,-0.0094 5439,0.00453362,0.00088643,-0.00018512,0.00057413,-0.00088641,-0.00018 506,-0.00057416,-0.00000270,0.06205016,-0.00233864,-0.00095109,-0.0001 7132,-0.00233812,0.00095082,-0.00017210,-0.11179561,0.00000374,-0.1548 4284,0.01038602,0.00086259,0.01349118,0.00006624,-0.00008236,0.0003063 7,0.00006611,0.00008228,0.00030630,0.12010538,-0.00000229,0.14504870,- 0.02947837,0.02116263,0.03197418,-0.13743628,0.06925155,0.09355557,-0. 12933886,-0.05241841,0.01584701,0.02217293,-0.00923190,-0.00884953,0.0 0472658,0.00065348,0.00090544,-0.01560791,0.00566046,0.00740131,-0.019 58816,-0.03588499,0.01038257,0.33096740,0.02217466,-0.04234110,-0.0146 1334,0.03209338,-0.10780952,-0.02006248,-0.03532089,-0.14114604,-0.001 42050,0.00923566,-0.06065055,-0.01594707,-0.00000040,-0.00395664,0.002 66958,-0.01591757,0.01138786,0.00588425,-0.01782067,-0.00945581,-0.000 86446,0.01949445,0.35301368,0.03834766,-0.03008081,-0.01360169,0.07911 188,-0.04229657,-0.10330583,0.02154161,0.00440076,-0.07568636,-0.00884 932,0.01594076,0.00681678,0.00019258,-0.00049272,0.00145358,0.01866304 ,-0.01104826,-0.00880200,-0.00726287,-0.00453597,0.01349122,-0.1589356 9,0.04117342,0.17493874,0.00021946,0.00300356,0.00178688,0.00021945,-0 .00300356,0.00178653,-0.06491538,-0.00000265,0.03989275,-0.00893271,0. 00688171,0.02166742,-0.00091118,-0.00037119,0.00071533,-0.00091114,0.0 0037105,0.00071529,0.00809392,0.00000122,-0.02527632,-0.00893172,-0.00 688373,0.02166636,0.07580040,-0.00352550,-0.00557687,-0.00212521,0.003 52602,-0.00557731,0.00212463,-0.00000317,-0.04936400,0.00001393,0.0195 2641,-0.00328782,-0.02810575,0.00142393,0.00076244,-0.00089254,-0.0014 2399,0.00076234,0.00089259,-0.00000012,0.00647813,0.00000077,-0.019527 19,-0.00329163,0.02810641,0.00000360,0.05902591,-0.00270283,-0.0015653 0,0.00053720,-0.00270266,0.00156467,0.00053766,0.05086887,0.00001410,- 0.31167974,0.00709396,-0.00525471,0.00105095,0.00030533,0.00005332,-0. 00010494,0.00030520,-0.00005323,-0.00010485,0.00267424,0.00000123,-0.0 1771274,0.00709213,0.00525474,0.00105424,-0.06285172,-0.00001482,0.326 25752,0.00369542,-0.00832247,-0.00241699,-0.00021873,0.00420856,-0.003 73619,0.00017020,-0.00029452,-0.00050728,0.00111823,0.00197024,0.00176 620,-0.00186070,0.00033305,-0.00149907,-0.00082090,-0.00056859,-0.0007 0755,0.00021418,0.00015295,-0.00010307,-0.00220439,-0.00082992,-0.0021 1460,0.00008725,-0.00002878,-0.00007092,0.22255679,0.02902532,-0.04485 507,0.01741471,0.03186023,0.04104019,0.02829507,-0.00219315,0.00000348 ,-0.00010271,-0.00509936,0.00351247,-0.00118384,-0.00595969,0.00168264 ,-0.00491085,-0.00420865,-0.00153763,-0.00446455,0.00024672,0.00011177 ,0.00054950,-0.00723965,-0.00240479,-0.00500582,0.00001934,0.00004490, 0.00001677,-0.04363030,0.65086153,-0.01007705,0.02495593,-0.01662207,- 0.03177440,-0.03315661,-0.02785018,0.00119783,-0.00362539,-0.00004095, -0.00094973,-0.00155250,0.00657649,0.00142668,0.00002289,0.00128668,0. 00403328,0.00145986,0.00407101,-0.00020189,0.00081300,-0.00044110,0.00 812949,0.00255784,0.00075729,-0.00005482,0.00034633,0.00008242,-0.2008 6010,0.00644679,0.65557470,0.00959826,-0.03231313,0.00961364,0.0307852 5,0.03903929,0.02537612,-0.00257417,0.00317655,-0.00098641,-0.00028423 ,0.00220215,-0.00377367,-0.00280519,0.00111734,-0.00186847,-0.00702899 ,-0.00322733,-0.00712709,0.00024521,-0.00092098,0.00055777,-0.01352213 ,-0.00440905,-0.00246968,0.00015077,-0.00009424,-0.00005327,-0.0796463 2,-0.03919590,0.09704964,0.23882407,-0.00452816,-0.00439061,-0.0007531 8,0.00633331,-0.00985105,0.00447794,-0.00031809,-0.00045273,0.00026822 ,0.00063644,0.00010723,-0.00142873,0.00033010,-0.00055318,0.00037474,0 .00162701,0.00173072,0.00113972,0.00032760,0.00011672,0.00014422,0.004 13577,0.00165919,0.00053904,-0.00002814,-0.00003690,-0.00008584,-0.023 01115,-0.17311364,0.13395093,-0.05856147,0.66702380,0.02219675,-0.0520 7411,0.01467083,0.04679704,0.05440199,0.02216458,-0.00124013,0.0001781 2,0.00003063,-0.00297824,0.00453984,-0.00307907,-0.00633526,0.00161708 ,-0.00494785,-0.01199123,-0.00414035,-0.01183940,0.00092651,0.00010977 ,0.00057131,-0.00308340,-0.00270274,-0.00249449,0.00018277,-0.00012289 ,-0.00009605,0.07631715,0.07750195,-0.29141550,-0.20825308,-0.13273590 ,0.49726258,-0.00300442,0.00596065,-0.00173069,-0.01785498,-0.00562807 ,-0.00165601,-0.00038448,0.00035550,-0.00014826,0.00056075,-0.00055566 ,0.00049403,0.00079321,-0.00031281,0.00051292,0.00070420,0.00023096,0. 00168297,-0.00021119,-0.00017948,-0.00004192,-0.00249090,-0.00047583,- 0.00018582,-0.00003853,0.00000868,0.00000277,-0.00265915,0.00459250,0. 00339964,-0.11384617,0.03342750,0.06858566,0.52480655,0.00010133,0.000 50700,-0.00075348,-0.00204245,0.00067941,0.00081724,-0.00014422,0.0004 4480,-0.00006775,0.00081825,-0.00021688,0.00034939,-0.00029553,-0.0001 0725,-0.00040382,0.00070826,-0.00008610,0.00033459,-0.00006216,-0.0001 2089,-0.00001800,-0.00161767,-0.00037442,0.00000765,0.00000255,-0.0000 4427,0.00000786,-0.00947856,0.01843090,0.00223755,0.03083476,-0.108042 85,-0.01911167,0.02406507,0.45862457,-0.00136438,0.00309235,-0.0012631 7,-0.00264242,-0.00315005,-0.00091975,0.00063319,0.00071899,-0.0006207 9,0.00023305,-0.00037103,0.00013554,0.00034538,-0.00020188,0.00027863, -0.00277900,-0.00016339,0.00032453,-0.00027936,-0.00019172,-0.00008335 ,-0.00194375,0.00074961,0.00070368,-0.00000564,0.00003811,0.00007833,0 .02179083,-0.00370029,-0.02663520,0.05870434,-0.02739453,-0.12430638,0 .03084381,-0.03486348,0.55161407,-0.01785331,0.00562707,-0.00165348,-0 .00300345,-0.00596013,-0.00173154,-0.00038453,-0.00035583,-0.00014842, -0.00249161,0.00047579,-0.00018565,0.00070527,-0.00023123,0.00168232,0 .00079312,0.00031278,0.00051276,-0.00021123,0.00017955,-0.00004190,0.0 0056107,0.00055563,0.00049414,-0.00003853,-0.00000868,0.00000278,-0.00 041963,0.00140399,-0.00383425,0.00266631,0.02114890,0.00107481,-0.0725 2773,0.00418803,0.00145153,0.52479469,0.00204170,0.00067931,-0.0008171 5,-0.00010129,0.00050717,0.00075345,0.00014416,0.00044483,0.00006796,0 .00161768,-0.00037432,-0.00000782,-0.00070785,-0.00008609,-0.00033445, 0.00029541,-0.00010727,0.00040379,0.00006221,-0.00012092,0.00001799,-0 .00081816,-0.00021688,-0.00034939,-0.00000256,-0.00004425,-0.00000787, 0.00072438,-0.00458301,0.00481695,0.01063727,-0.01670882,-0.01103734,- 0.00417682,-0.16116900,0.00298037,-0.02406472,0.45861100,-0.00264431,0 .00315026,-0.00091804,-0.00136454,-0.00309284,-0.00126369,0.00063298,- 0.00071905,-0.00062083,-0.00194438,-0.00074907,0.00070344,-0.00277768, 0.00016300,0.00032497,0.00034547,0.00020190,0.00027883,-0.00027941,0.0 0019178,-0.00008331,0.00023305,0.00037109,0.00013561,-0.00000566,-0.00 003810,0.00007832,-0.00268264,0.00695780,-0.00365327,-0.00346798,-0.02 121532,0.00715437,0.00145293,-0.00298648,-0.08140617,0.03083831,0.0348 5495,0.55164083,0.03078823,-0.03904575,0.02537054,0.00959691,0.0323131 5,0.00961881,-0.00257435,-0.00317659,-0.00098675,-0.01352142,0.0044095 4,-0.00246866,-0.00703060,0.00322835,-0.00712788,-0.00280485,-0.001117 18,-0.00186840,0.00024531,0.00092093,0.00055793,-0.00028449,-0.0022018 7,-0.00377463,0.00015078,0.00009427,-0.00005328,0.00198474,-0.01389221 ,0.00386045,-0.01011102,-0.00163153,-0.01540462,0.00266935,-0.01063692 ,-0.00347188,-0.11384857,-0.03084392,0.05869721,0.23882503,-0.00634279 ,-0.00984184,-0.00448344,0.00452477,-0.00439959,0.00074956,0.00031829, -0.00045275,-0.00026842,-0.00413516,0.00165877,-0.00053844,-0.00162541 ,0.00173059,-0.00113761,-0.00032907,-0.00055288,-0.00037390,-0.0003277 9,0.00011674,-0.00014431,-0.00063588,0.00010778,0.00142961,0.00002809, -0.00003694,0.00008585,0.00723035,-0.03519309,-0.02582984,0.00163388,- 0.00522265,-0.00710399,-0.02115090,-0.01671542,0.02120758,-0.03344102, -0.10805329,0.02739834,0.05857188,0.66698410,0.04679935,-0.05440843,0. 02215247,0.02219587,0.05207217,0.01467930,-0.00123977,-0.00017782,0.00 003069,-0.00308253,0.00270242,-0.00249385,-0.01199503,0.00414248,-0.01 183989,-0.00633428,-0.00161668,-0.00494812,0.00092663,-0.00011002,0.00 057127,-0.00297939,-0.00453972,-0.00307965,0.00018276,0.00012293,-0.00 009600,-0.01211811,-0.06882666,0.02403245,-0.01540367,0.00711052,-0.04 327286,0.00107147,0.01103342,0.00715742,0.06857984,0.01911441,-0.12429 072,-0.20824794,0.13275946,0.49730179,-0.00021784,-0.00420891,-0.00373 707,0.00369628,0.00832366,-0.00241457,0.00017028,0.00029475,-0.0005073 1,-0.00220526,0.00083022,-0.00211481,-0.00082133,0.00056884,-0.0007075 9,-0.00186068,-0.00033305,-0.00149926,0.00021425,-0.00015299,-0.000103 08,0.00111733,-0.00197044,0.00176622,0.00008730,0.00002879,-0.00007091 ,-0.06943204,-0.02079424,0.03070104,0.00198522,-0.00722647,-0.01212160 ,-0.00041983,-0.00072336,-0.00268242,-0.00266206,0.00947380,0.02179434 ,-0.07964763,0.02300159,0.07632238,0.22255226,-0.03185744,0.04103861,- 0.02828362,-0.02902192,-0.04484790,-0.01741981,0.00219288,0.00000308,0 .00010297,0.00723818,-0.00240441,0.00500443,0.00420937,-0.00153804,0.0 0446402,0.00595817,0.00168203,0.00491061,-0.00024664,0.00011200,-0.000 54941,0.00510053,0.00351234,0.00118367,-0.00001929,0.00004494,-0.00001 680,0.02079767,-0.30418278,-0.02921928,0.01389249,-0.03521028,0.068815 21,-0.00140440,-0.00458130,-0.00695743,-0.00459276,0.01843113,0.003708 31,0.03918444,-0.17307392,-0.07747590,0.04364725,0.65086538,-0.0317835 2,0.03316912,-0.02785147,-0.01008027,-0.02496230,-0.01662854,0.0011983 1,0.00362586,-0.00004079,0.00813050,-0.00255827,0.00075750,0.00403486, -0.00146067,0.00407210,0.00142711,-0.00002288,0.00128744,-0.00020199,- 0.00081300,-0.00044129,-0.00094917,0.00155246,0.00657773,-0.00005484,- 0.00034637,0.00008241,0.03070421,0.02918760,-0.10977152,0.00386109,0.0 2581871,0.02404841,-0.00383482,-0.00481734,-0.00365468,0.00340016,-0.0 0222931,-0.02663570,0.09706350,-0.13392638,-0.29145490,-0.20085257,-0. 00645865,0.65558010,-0.00094102,0.00241138,-0.00087004,-0.00171349,-0. 00266984,-0.00164676,-0.00008651,-0.00028488,-0.00014588,0.00000758,-0 .00019278,0.00036229,0.00027195,-0.00011247,0.00019773,0.00022241,0.00 006129,0.00034192,-0.00001872,0.00004211,0.00002625,0.00020067,0.00048 580,0.00026549,-0.00005134,0.00000027,0.00003023,-0.08355277,0.0648418 1,0.09697101,0.00130583,0.00349877,0.00725636,0.00491923,0.00114265,0. 00463523,-0.00085851,-0.00071029,-0.00032870,0.00580167,0.00053239,0.0 0254029,0.00133940,-0.00454471,0.00007132,0.07909695,0.00060226,-0.000 14599,0.00031374,0.00053984,0.00023142,-0.00032997,0.00008589,-0.00021 706,-0.00040402,-0.00044638,0.00004397,0.00019969,-0.00001058,-0.00000 999,0.00002489,-0.00017492,-0.00001376,-0.00006188,-0.00003398,0.00002 461,0.00006096,0.00009874,0.00011755,0.00069340,-0.00012764,-0.0000091 1,0.00005591,0.06016675,-0.12675363,-0.10400937,-0.00904311,0.01075538 ,0.01304784,0.00093995,-0.00088554,0.00325356,-0.00020551,-0.00027120, 0.00036734,-0.00058732,-0.00562893,0.00227578,0.01344200,-0.01137726,- 0.02665592,-0.06365811,0.13226672,-0.00049746,0.00167823,-0.00048149,0 .00014591,-0.00155515,-0.00136095,-0.00005556,-0.00034103,-0.00028847, -0.00018282,-0.00005243,0.00028262,0.00020904,-0.00007373,0.00017566,0 .00005420,-0.00002086,0.00013101,-0.00003098,0.00000514,0.00002048,-0. 00040595,0.00065051,0.00125648,-0.00012719,-0.00003460,0.00004220,0.09 356105,-0.10239341,-0.21856832,0.01453883,-0.01505450,-0.01490465,-0.0 0025414,0.00373110,-0.00132159,-0.00063336,0.00038696,0.00007777,0.002 85662,0.00073393,0.00290434,-0.00099439,0.00034635,0.00359364,-0.10591 982,0.11283734,0.22897677,-0.00127178,0.00213732,-0.00117272,-0.001369 14,-0.00815992,-0.00179163,0.00029030,-0.00043300,0.00013955,-0.000030 44,-0.00014760,0.00022392,0.00018571,-0.00027038,0.00006330,0.00041583 ,0.00027528,0.00028406,0.00002473,0.00011293,-0.00004855,0.00071233,0. 00143346,0.00053719,-0.00000168,0.00002133,0.00001916,0.00283606,-0.00 471473,0.00022301,-0.04220095,0.03687497,0.00823157,-0.00075008,0.0220 3611,-0.00030061,-0.00293508,-0.00212805,0.00395488,0.00002675,-0.0019 4201,0.00099649,0.00682098,-0.00188797,0.00140862,-0.00370914,-0.00075 539,-0.00180728,0.04044613,0.00036074,0.00017822,-0.00026436,0.0006463 8,-0.00175452,-0.00018691,0.00000117,-0.00035908,0.00006214,-0.0003300 9,0.00031095,-0.00003637,0.00003752,-0.00005874,0.00001423,-0.00030627 ,0.00008518,-0.00058622,-0.00001472,0.00005239,-0.00003911,-0.00050226 ,0.00084480,0.00059242,0.00001420,0.00003122,0.00000227,0.00215750,-0. 01153674,-0.00232177,0.04103098,-0.32768968,0.01660836,-0.00077090,-0. 00828302,0.00181337,0.00105430,0.00068717,-0.00118056,0.00021109,0.000 45440,-0.00012246,0.00072396,0.00061374,0.00323698,-0.00113921,0.00085 896,-0.00010840,-0.04359763,0.34643480,-0.00061552,0.00068669,-0.00034 988,-0.00069151,-0.00416979,-0.00050128,0.00004997,-0.00010387,0.00009 261,0.00000697,-0.00006274,-0.00005136,0.00022146,-0.00014608,0.000107 90,0.00012867,-0.00005448,0.00000153,0.00000842,0.00004305,-0.00000747 ,0.00050729,0.00056204,-0.00003128,0.00000325,0.00002834,-0.00000117,- 0.00287930,0.03111048,0.00333516,0.00836838,0.00992571,-0.05181669,0.0 0076403,-0.02005745,0.00254269,0.00287057,-0.00155232,-0.00161984,0.00 067017,-0.00066554,-0.00079215,0.00439055,0.00079123,-0.00458199,-0.00 234449,-0.00070075,0.00025805,-0.01031468,-0.01674958,0.05204293,-0.00 012646,-0.00038439,-0.00037866,-0.00012302,0.00011893,0.00287177,-0.00 027067,0.00002427,-0.00008099,0.00017871,0.00004318,-0.00005658,-0.000 19378,-0.00005673,-0.00000935,-0.00039418,0.00040587,-0.00053104,0.000 02002,-0.00002120,0.00002194,0.00010075,-0.00020783,-0.00029241,0.0000 3013,0.00000479,-0.00002804,-0.00127345,0.00291844,0.00279647,0.001916 84,-0.00990855,0.02301502,-0.05857304,0.01712313,-0.04778894,-0.000819 14,-0.00050362,0.00190963,-0.00018265,-0.00074359,0.00000042,0.0001378 7,0.00019712,-0.00017825,-0.00068746,-0.00062364,0.00092324,0.00046226 ,-0.00001658,-0.00102960,0.06467524,0.00011362,0.00007915,0.00039620,- 0.00006438,-0.00011949,-0.00042454,0.00005256,-0.00013873,-0.00012898, -0.00019094,0.00000956,0.00004388,-0.00001840,-0.00009192,-0.00000749, -0.00036425,0.00011208,-0.00004751,-0.00000999,0.00002390,-0.00000636, 0.00020867,0.00025288,-0.00001942,0.00001589,0.00002156,-0.00000371,0. 00227984,0.00076350,-0.00190852,-0.00460892,0.00626216,-0.01031769,0.0 1752186,-0.08101740,0.08045356,0.00601415,-0.01170572,0.02651582,0.001 77415,-0.00324301,-0.00056484,-0.00009945,-0.00101720,-0.00064763,0.00 047286,0.00029904,-0.00032131,-0.00054202,0.00040252,0.00036628,-0.019 85321,0.08835065,-0.00062461,0.00071730,-0.00006244,-0.00209947,0.0002 7325,-0.00027304,-0.00029734,-0.00009445,0.00029196,0.00007860,-0.0001 1759,0.00001253,0.00004332,0.00005391,0.00023074,0.00152663,0.00007452 ,0.00089021,0.00004299,0.00001914,0.00004122,0.00040951,-0.00089564,-0 .00029822,-0.00003770,-0.00005299,-0.00000748,0.00179257,-0.00382658,- 0.00248551,-0.00220534,0.00821834,-0.02036902,-0.04589199,0.08179589,- 0.25971242,-0.00029921,-0.00237228,0.00272972,0.00068987,0.00011875,0. 00064317,-0.00026958,-0.00109895,0.00051019,0.00119539,0.00082174,-0.0 0056626,0.00033317,-0.00041475,0.00063237,0.04834231,-0.08586642,0.284 06420,-0.00012118,-0.00011919,0.00287030,-0.00012617,0.00038461,-0.000 37835,-0.00027046,-0.00002415,-0.00008104,0.00010103,0.00020746,-0.000 29227,-0.00039376,-0.00040571,-0.00053142,-0.00019380,0.00005672,-0.00 000944,0.00002002,0.00002116,0.00002192,0.00017852,-0.00004317,-0.0000 5652,0.00003014,-0.00000480,-0.00002804,0.00013785,-0.00019694,-0.0001 7847,-0.00018293,0.00074413,0.00000050,-0.00081822,0.00050544,0.001912 39,-0.05855895,-0.01710652,-0.04775599,0.00191356,0.00990719,0.0230177 4,-0.00127328,-0.00291979,0.00279607,0.00000948,0.00003617,-0.00004261 ,-0.00015805,0.00010336,0.00001827,0.00140723,-0.00028270,0.00030092,0 .06465528,0.00006499,-0.00011989,0.00042460,-0.00011350,0.00007950,-0. 00039606,-0.00005255,-0.00013881,0.00012889,-0.00020872,0.00025273,0.0 0001942,0.00036415,0.00011205,0.00004731,0.00001831,-0.00009185,0.0000 0738,0.00001000,0.00002390,0.00000636,0.00019100,0.00000954,-0.0000439 0,-0.00001588,0.00002155,0.00000371,0.00009939,-0.00101732,0.00064746, -0.00177426,-0.00324474,0.00056484,-0.00600770,-0.01170360,-0.02651818 ,-0.01750545,-0.08100498,-0.08044528,0.00460722,0.00626305,0.01032448, -0.00228058,0.00076211,0.00190917,0.00011491,0.00012106,-0.00001753,0. 00058816,-0.00056871,-0.00090929,0.00028296,0.00146275,-0.00021607,0.0 1983402,0.08833851,-0.00209872,-0.00027301,-0.00027286,-0.00062459,-0. 00071719,-0.00006258,-0.00029730,0.00009427,0.00029188,0.00040935,0.00 089533,-0.00029794,0.00152632,-0.00007458,0.00088962,0.00004331,-0.000 05391,0.00023067,0.00004300,-0.00001912,0.00004121,0.00007877,0.000117 57,0.00001240,-0.00003768,0.00005298,-0.00000747,-0.00026952,0.0010990 3,0.00051013,0.00068935,-0.00011884,0.00064359,-0.00030044,0.00237091, 0.00272781,-0.04585906,-0.08178610,-0.25974303,-0.00220294,-0.00821476 ,-0.02036557,0.00179265,0.00382641,-0.00248439,-0.00011484,-0.00012213 ,-0.00005202,-0.00028665,-0.00003576,-0.00020996,0.00030085,0.00021593 ,0.00232734,0.04830726,0.08585578,0.28409628,-0.00136888,0.00816033,-0 .00178965,-0.00127164,-0.00213701,-0.00117290,0.00029031,0.00043291,0. 00013953,0.00071194,-0.00143353,0.00053691,0.00041591,-0.00027532,0.00 028393,0.00018569,0.00027038,0.00006328,0.00002469,-0.00011289,-0.0000 4856,-0.00003046,0.00014758,0.00022392,-0.00000168,-0.00002133,0.00001 917,0.00682094,0.00188827,0.00140881,0.00002646,0.00194185,0.00099710, -0.00293585,0.00212692,0.00395443,-0.00074819,-0.02203658,-0.00030388, -0.04219620,-0.03685209,0.00822648,0.00283592,0.00471480,0.00022323,0. 00033090,-0.00002099,0.00014366,-0.00032199,-0.00020802,-0.00030889,-0 .00015802,-0.00058787,-0.00028671,0.00046236,0.00054207,0.00033307,0.0 4044052,-0.00064643,-0.00175470,0.00018622,-0.00036075,0.00017820,0.00 026441,-0.00000116,-0.00035902,-0.00006213,0.00050230,0.00084483,-0.00 059215,0.00030630,0.00008510,0.00058632,-0.00003755,-0.00005875,-0.000 01425,0.00001473,0.00005237,0.00003911,0.00033007,0.00031096,0.0000364 0,-0.00001420,0.00003123,-0.00000226,-0.00072426,0.00061431,-0.0032359 7,-0.00021111,0.00045439,0.00012266,-0.00105535,0.00068692,0.00118086, 0.00077147,-0.00828781,-0.00181488,-0.04100991,-0.32769129,-0.01665569 ,-0.00215596,-0.01153126,0.00231947,-0.00014183,-0.00064498,0.00010832 ,0.00020803,0.00000571,0.00011858,-0.00010330,-0.00056882,0.00003580,0 .00001679,0.00040272,0.00041478,0.04357541,0.34643570,-0.00069144,0.00 416973,-0.00050034,-0.00061562,-0.00068654,-0.00034988,0.00004998,0.00 010375,0.00009256,0.00050716,-0.00056185,-0.00003141,0.00012875,0.0000 5448,0.00000163,0.00022144,0.00014607,0.00010790,0.00000841,-0.0000430 1,-0.00000746,0.00000705,0.00006281,-0.00005138,0.00000325,-0.00002834 ,-0.00000117,0.00439058,-0.00079010,-0.00458288,0.00066995,0.00066586, -0.00079194,0.00287073,0.00155278,-0.00161875,0.00076279,0.02005508,0. 00254506,0.00836199,-0.00997225,-0.05182028,-0.00287779,-0.03111370,0. 00333024,0.00011569,-0.00175436,0.00016871,-0.00030883,-0.00011861,0.0 0006662,0.00001811,0.00090890,-0.00020992,-0.00102971,-0.00036623,0.00 063238,-0.01030830,0.01679981,0.05204799,-0.00171365,0.00267019,-0.001 64638,-0.00094081,-0.00241137,-0.00087051,-0.00008649,0.00028496,-0.00 014585,0.00020064,-0.00048585,0.00026544,0.00022254,-0.00006133,0.0003 4193,0.00027186,0.00011242,0.00019774,-0.00001874,-0.00004212,0.000026 24,0.00000755,0.00019274,0.00036241,-0.00005133,-0.00000027,0.00003023 ,0.00133964,0.00454494,0.00007107,0.00580171,-0.00053234,0.00253999,-0 .00085875,0.00071043,-0.00032836,0.00491850,-0.00114331,0.00463523,0.0 0130637,-0.00350057,0.00725587,-0.08354485,-0.06485545,0.09695517,-0.0 0232842,-0.00034428,-0.00173995,0.00033091,0.00014183,0.00011570,0.000 00949,-0.00011487,-0.00011481,-0.00068739,-0.00047305,0.00119512,-0.00 370917,0.00113924,-0.00234434,0.07908897,-0.00053994,0.00023120,0.0003 3024,-0.00060212,-0.00014573,-0.00031372,-0.00008587,-0.00021722,0.000 40398,-0.00009874,0.00011775,-0.00069362,0.00017492,-0.00001377,0.0000 6186,0.00001055,-0.00001000,-0.00002491,0.00003398,0.00002463,-0.00006 095,0.00044640,0.00004401,-0.00019968,0.00012763,-0.00000912,-0.000055 90,-0.01344114,-0.01138188,0.02665317,0.00058737,-0.00562825,-0.002277 09,0.00020564,-0.00027104,-0.00036740,-0.00093955,-0.00088440,-0.00325 340,0.00904009,0.01075543,-0.01304278,-0.06018040,-0.12679480,0.104030 78,0.00034441,0.00126505,-0.00029676,0.00002096,-0.00064525,0.00175417 ,-0.00003617,0.00012101,0.00012215,0.00062355,0.00029913,-0.00082150,0 .00075544,0.00085890,0.00070084,0.06367336,0.13231072,0.00014576,0.001 55540,-0.00136059,-0.00049750,-0.00167820,-0.00048181,-0.00005559,0.00 034104,-0.00028827,-0.00040595,-0.00065065,0.00125624,0.00005428,0.000 02084,0.00013101,0.00020899,0.00007369,0.00017566,-0.00003097,-0.00000 515,0.00002045,-0.00018270,0.00005239,0.00028258,-0.00012713,0.0000345 8,0.00004218,-0.00099674,-0.00034928,0.00359826,0.00285666,-0.00073535 ,0.00290364,-0.00063332,-0.00038698,0.00007776,-0.00025461,-0.00373106 ,-0.00132322,0.01453994,0.01505945,-0.01490389,0.09354576,0.10241535,- 0.21853709,-0.00173983,0.00029692,-0.00007298,0.00014367,-0.00010847,0 .00016903,-0.00004262,0.00001755,-0.00005198,0.00092348,0.00032161,-0. 00056638,-0.00180709,0.00010833,0.00025824,-0.10590337,-0.11286020,0.2 2894184,-0.00046151,0.00240757,-0.00082663,-0.00103144,-0.00138779,0.0 0077969,0.00033245,0.00052196,-0.00037301,-0.00002290,-0.00038128,0.00 036022,0.00012174,-0.00009737,0.00016517,0.00057147,0.00011238,0.00031 039,-0.00022479,-0.00014827,-0.00004131,-0.00180869,-0.00011325,0.0004 0888,-0.00004220,-0.00000769,0.00005881,0.00083208,0.00353287,-0.00231 902,-0.02172977,-0.00478761,0.00202157,-0.25867148,-0.07739112,-0.0607 8438,0.00159488,0.00197311,-0.00013257,0.00062604,0.00049320,0.0012649 4,0.00029477,-0.00224999,-0.00101902,0.00056921,0.00011675,0.00029591, 0.00033313,0.00047769,0.00016400,-0.00643591,-0.00155925,-0.00332574,0 .00029892,0.00015741,0.00069718,-0.00013655,0.00007513,-0.00010379,-0. 00012784,-0.00000350,-0.00003694,0.28235124,0.00059507,-0.00094746,0.0 0042087,0.00115132,0.00078222,-0.00036086,0.00001734,-0.00030194,0.000 13047,-0.00020519,0.00019233,-0.00012627,0.00012693,0.00005769,0.00001 829,-0.00036313,-0.00006375,-0.00025815,0.00007690,0.00007986,0.000013 73,0.00093722,0.00019438,-0.00015729,0.00001364,0.00002699,-0.00001234 ,0.00055868,-0.00148275,0.00094290,0.01125049,0.00527860,0.00134231,-0 .07259489,-0.07003313,-0.01878944,-0.02700384,-0.01572306,-0.00717626, 0.00104378,-0.00324383,-0.00277454,0.00034951,0.00097646,0.00099215,-0 .00050264,-0.00008391,-0.00010299,-0.00061817,0.00011159,0.00027919,0. 01071534,0.00373942,0.00275424,-0.00062412,-0.00399632,0.00004861,-0.0 0148866,-0.00017622,0.00049405,-0.00000812,0.00005761,0.00010519,0.077 41583,0.08330193,0.00028561,-0.00089536,0.00014076,0.00036030,0.001021 14,-0.00033895,-0.00016495,-0.00039726,0.00026924,-0.00027957,0.000155 47,0.00007463,-0.00008436,0.00013346,0.00003273,0.00054579,-0.00014127 ,0.00036023,0.00008139,0.00009764,0.00002665,0.00108577,-0.00045694,-0 .00020408,-0.00001195,-0.00001742,-0.00001591,0.00076535,-0.00241514,0 .00120323,0.02330026,0.00729370,0.00108308,-0.05737452,-0.01900805,-0. 06397199,0.00036795,0.00176322,-0.00012701,0.00002298,0.00040556,-0.00 119980,-0.00012588,0.00061122,0.00103925,-0.00099926,-0.00019028,-0.00 031353,-0.00065430,-0.00004438,0.00058630,-0.03011934,-0.00925981,-0.0 0877336,0.00033602,-0.00060633,0.00043547,0.00012662,0.00001205,0.0001 2798,0.00010051,0.00002042,0.00004257,0.06206242,0.02206712,0.06766857 ,-0.00103110,0.00138741,0.00078009,-0.00046133,-0.00240727,-0.00082681 ,0.00033243,-0.00052201,-0.00037308,-0.00180877,0.00011316,0.00040892, 0.00057142,-0.00011242,0.00031019,0.00012173,0.00009736,0.00016515,-0. 00022479,0.00014830,-0.00004129,-0.00002278,0.00038124,0.00036015,-0.0 0004219,0.00000767,0.00005881,0.00029470,0.00225039,-0.00101873,0.0006 2592,-0.00049281,0.00126475,0.00159152,-0.00197091,-0.00013303,-0.2586 7332,0.07737397,-0.06080627,-0.02173295,0.00478466,0.00202020,0.000832 94,-0.00353250,-0.00231968,-0.00012791,0.00000349,-0.00003695,-0.00013 677,-0.00007505,-0.00010373,0.00029925,-0.00015736,0.00069722,-0.00643 016,0.00155709,-0.00332451,0.00033301,-0.00047767,0.00016395,0.0005692 6,-0.00011684,0.00029581,0.00276716,-0.00084328,0.00037316,0.28235271, -0.00115103,0.00078215,0.00036129,-0.00059498,-0.00094760,-0.00042094, -0.00001729,-0.00030205,-0.00013062,-0.00093758,0.00019434,0.00015743, 0.00036318,-0.00006384,0.00025800,-0.00012698,0.00005771,-0.00001831,- 0.00007694,0.00007989,-0.00001372,0.00020517,0.00019239,0.00012628,-0. 00001364,0.00002699,0.00001235,-0.00034965,0.00097662,-0.00099235,-0.0 0104306,-0.00324280,0.00277380,0.02700448,-0.01572150,0.00718047,0.072 57703,-0.07001959,0.01879063,-0.01125568,0.00527858,-0.00134255,-0.000 55852,-0.00148265,-0.00094359,0.00000809,0.00005762,-0.00010518,0.0014 8831,-0.00017593,-0.00049389,0.00062480,-0.00399787,-0.00004930,-0.010 71351,0.00373762,-0.00275471,0.00061834,0.00011151,-0.00027917,0.00050 282,-0.00008398,0.00010299,0.00084324,0.00125331,-0.00014875,-0.077396 61,0.08328908,0.00036043,-0.00102058,-0.00033936,0.00028539,0.00089500 ,0.00014065,-0.00016487,0.00039722,0.00026921,0.00108577,0.00045680,-0 .00020385,0.00054579,0.00014118,0.00036010,-0.00008436,-0.00013345,0.0 0003272,0.00008138,-0.00009764,0.00002663,-0.00027956,-0.00015544,0.00 007467,-0.00001195,0.00001742,-0.00001590,-0.00012588,-0.00061046,0.00 103868,0.00002262,-0.00040549,-0.00119912,0.00037097,-0.00176388,-0.00 012622,-0.05739648,0.01900996,-0.06398409,0.02329698,-0.00728925,0.001 08478,0.00076589,0.00241378,0.00120334,0.00010044,-0.00002043,0.000042 52,0.00012668,-0.00001208,0.00012788,0.00033606,0.00060610,0.00043598, -0.03012103,0.00925787,-0.00877659,-0.00065414,0.00004421,0.00058611,- 0.00099908,0.00019031,-0.00031325,0.00037325,0.00014904,0.00185394,0.0 6208568,-0.02207018,0.06768118||0.00000258,-0.00000279,0.00000172,0.00 000184,0.00000507,-0.00000568,-0.00000032,0.00000385,0.00000186,0.0000 0032,-0.00000154,-0.00000317,0.00000038,-0.00000064,0.00000034,0.00000 037,-0.00000030,-0.00000051,0.00000180,0.00000070,-0.00000265,-0.00000 270,-0.00000183,-0.00000073,-0.00000197,-0.00000047,-0.00000147,-0.000 00078,-0.00000066,-0.00000028,0.00000140,-0.00000142,0.00000122,-0.000 00009,0.00000066,0.00000186,-0.00000026,-0.00000120,0.00000087,-0.0000 0123,0.00000149,-0.00000058,-0.00000141,-0.00000155,0.00000042,-0.0000 0187,-0.00000020,-0.00000005,-0.00000062,0.00000011,0.00000064,0.00000 047,-0.00000003,0.00000120,0.00000143,-0.00000034,0.00000101,0.0000013 9,0.00000006,0.00000096,-0.00000069,0.00000012,0.00000013,0.00000017,0 .00000098,0.00000075,-0.00000020,-0.00000006,0.00000213|||@ I am not a vegetarian because I love animals; I am a vegetarian because I hate plants. -- A. Whitney Brown Job cpu time: 0 days 0 hours 9 minutes 25.0 seconds. File lengths (MBytes): RWF= 102 Int= 0 D2E= 0 Chk= 4 Scr= 1 Normal termination of Gaussian 09 at Thu Feb 08 13:50:20 2018.