Entering Gaussian System, Link 0=g03 Initial command: /apps/gaussian/g09_d01/g09/l1.exe "/home/scan-user-1/run/10039959/Gau-90897.inp" -scrdir="/home/scan-user-1/run/10039959/" Entering Link 1 = /apps/gaussian/g09_d01/g09/l1.exe PID= 90898. 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: ES64L-G09RevD.01 24-Apr-2013 2-Nov-2017 ****************************************** %nprocshared=8 Will use up to 8 processors via shared memory. %mem=13000MB %NoSave %Chk=chk.chk %rwf=/var/tmp/pbs.415296.cx1/rwf ---------------------------------------------------------------------- # opt=(calcfc,ts,noeigen) freq b3lyp/6-31g(d) geom=connectivity integr al=grid=ultrafine pop=full gfprint ---------------------------------------------------------------------- 1/5=1,10=4,11=1,14=-1,18=20,26=4,38=1,57=2/1,3; 2/9=110,12=2,17=6,18=5,40=1/2; 3/5=1,6=6,7=1,11=2,16=1,24=100,25=1,30=1,71=2,74=-5,75=-5,140=1/1,2,3; 4//1; 5/5=2,38=5/2; 8/6=4,10=90,11=11/1; 11/6=1,8=1,9=11,15=111,16=1/1,2,10; 10/6=1,13=1/2; 6/7=3,28=1/1; 7/10=1,18=20,25=1/1,2,3,16; 1/5=1,10=4,11=1,14=-1,18=20,26=4/3(2); 2/9=110/2; 99//99; 2/9=110/2; 3/5=1,6=6,7=1,11=2,16=1,25=1,30=1,71=1,74=-5,75=-5/1,2,3; 4/5=5,16=3,69=1/1; 5/5=2,38=5/2; 7//1,2,3,16; 1/5=1,11=1,14=-1,18=20,26=4/3(-5); 2/9=110/2; 6/7=3,19=2,28=1/1; 99/9=1/99; ------------------- Title Card Required ------------------- Symbolic Z-matrix: Charge = 0 Multiplicity = 1 C -3.4663 0.387 -0.09077 C -3.17708 -0.27352 -1.27064 C -3.1774 2.45927 -1.27036 C -3.46645 1.79844 -0.09061 H -3.9095 -0.15276 0.74229 H -3.90974 2.33792 0.74257 C -5.03595 0.40128 -2.44739 C -5.03594 1.78467 -2.44721 H -3.31637 3.5382 -1.31883 H -3.31583 -1.35247 -1.31936 C -2.19749 1.87192 -2.2648 H -2.39755 2.26492 -3.27071 H -1.19247 2.23308 -2.00654 C -2.19729 0.31426 -2.26494 H -2.39718 -0.07862 -3.27092 H -1.1922 -0.04667 -2.00668 H -4.73075 2.4393 -3.25205 H -4.73075 -0.25319 -3.25235 O -6.07729 -0.05114 -1.64055 O -6.07732 2.23692 -1.64029 C -6.86771 1.09281 -1.35003 H -7.13629 1.09272 -0.28996 H -7.77467 1.09284 -1.98042 Add virtual bond connecting atoms C7 and C2 Dist= 4.35D+00. Add virtual bond connecting atoms C8 and C3 Dist= 4.35D+00. Add virtual bond connecting atoms H17 and H12 Dist= 4.42D+00. Add virtual bond connecting atoms H18 and H15 Dist= 4.42D+00. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Initialization pass. ---------------------------- ! Initial Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.3828 calculate D2E/DX2 analytically ! ! R2 R(1,4) 1.4114 calculate D2E/DX2 analytically ! ! R3 R(1,5) 1.0871 calculate D2E/DX2 analytically ! ! R4 R(2,7) 2.3012 calculate D2E/DX2 analytically ! ! R5 R(2,10) 1.0889 calculate D2E/DX2 analytically ! ! R6 R(2,14) 1.5146 calculate D2E/DX2 analytically ! ! R7 R(3,4) 1.3828 calculate D2E/DX2 analytically ! ! R8 R(3,8) 2.3009 calculate D2E/DX2 analytically ! ! R9 R(3,9) 1.0889 calculate D2E/DX2 analytically ! ! R10 R(3,11) 1.5146 calculate D2E/DX2 analytically ! ! R11 R(4,6) 1.0871 calculate D2E/DX2 analytically ! ! R12 R(7,8) 1.3834 calculate D2E/DX2 analytically ! ! R13 R(7,18) 1.0814 calculate D2E/DX2 analytically ! ! R14 R(7,19) 1.3929 calculate D2E/DX2 analytically ! ! R15 R(8,17) 1.0814 calculate D2E/DX2 analytically ! ! R16 R(8,20) 1.3929 calculate D2E/DX2 analytically ! ! R17 R(11,12) 1.0983 calculate D2E/DX2 analytically ! ! R18 R(11,13) 1.0987 calculate D2E/DX2 analytically ! ! R19 R(11,14) 1.5577 calculate D2E/DX2 analytically ! ! R20 R(12,17) 2.3398 calculate D2E/DX2 analytically ! ! R21 R(14,15) 1.0983 calculate D2E/DX2 analytically ! ! R22 R(14,16) 1.0987 calculate D2E/DX2 analytically ! ! R23 R(15,18) 2.3402 calculate D2E/DX2 analytically ! ! R24 R(19,21) 1.4205 calculate D2E/DX2 analytically ! ! R25 R(20,21) 1.4205 calculate D2E/DX2 analytically ! ! R26 R(21,22) 1.0936 calculate D2E/DX2 analytically ! ! R27 R(21,23) 1.1045 calculate D2E/DX2 analytically ! ! A1 A(2,1,4) 118.5415 calculate D2E/DX2 analytically ! ! A2 A(2,1,5) 120.1311 calculate D2E/DX2 analytically ! ! A3 A(4,1,5) 119.7618 calculate D2E/DX2 analytically ! ! A4 A(1,2,7) 97.3136 calculate D2E/DX2 analytically ! ! A5 A(1,2,10) 119.001 calculate D2E/DX2 analytically ! ! A6 A(1,2,14) 120.6688 calculate D2E/DX2 analytically ! ! A7 A(7,2,10) 99.4828 calculate D2E/DX2 analytically ! ! A8 A(7,2,14) 94.1894 calculate D2E/DX2 analytically ! ! A9 A(10,2,14) 115.9489 calculate D2E/DX2 analytically ! ! A10 A(4,3,8) 97.3201 calculate D2E/DX2 analytically ! ! A11 A(4,3,9) 119.0007 calculate D2E/DX2 analytically ! ! A12 A(4,3,11) 120.6689 calculate D2E/DX2 analytically ! ! A13 A(8,3,9) 99.4764 calculate D2E/DX2 analytically ! ! A14 A(8,3,11) 94.1906 calculate D2E/DX2 analytically ! ! A15 A(9,3,11) 115.9485 calculate D2E/DX2 analytically ! ! A16 A(1,4,3) 118.541 calculate D2E/DX2 analytically ! ! A17 A(1,4,6) 119.762 calculate D2E/DX2 analytically ! ! A18 A(3,4,6) 120.1309 calculate D2E/DX2 analytically ! ! A19 A(2,7,8) 107.0474 calculate D2E/DX2 analytically ! ! A20 A(2,7,18) 88.5786 calculate D2E/DX2 analytically ! ! A21 A(2,7,19) 102.2661 calculate D2E/DX2 analytically ! ! A22 A(8,7,18) 127.2503 calculate D2E/DX2 analytically ! ! A23 A(8,7,19) 108.95 calculate D2E/DX2 analytically ! ! A24 A(18,7,19) 116.4624 calculate D2E/DX2 analytically ! ! A25 A(3,8,7) 107.0533 calculate D2E/DX2 analytically ! ! A26 A(3,8,17) 88.5806 calculate D2E/DX2 analytically ! ! A27 A(3,8,20) 102.2634 calculate D2E/DX2 analytically ! ! A28 A(7,8,17) 127.2467 calculate D2E/DX2 analytically ! ! A29 A(7,8,20) 108.9509 calculate D2E/DX2 analytically ! ! A30 A(17,8,20) 116.462 calculate D2E/DX2 analytically ! ! A31 A(3,11,12) 110.1645 calculate D2E/DX2 analytically ! ! A32 A(3,11,13) 108.0587 calculate D2E/DX2 analytically ! ! A33 A(3,11,14) 112.8253 calculate D2E/DX2 analytically ! ! A34 A(12,11,13) 105.3236 calculate D2E/DX2 analytically ! ! A35 A(12,11,14) 110.9627 calculate D2E/DX2 analytically ! ! A36 A(13,11,14) 109.1843 calculate D2E/DX2 analytically ! ! A37 A(11,12,17) 101.5952 calculate D2E/DX2 analytically ! ! A38 A(2,14,11) 112.8256 calculate D2E/DX2 analytically ! ! A39 A(2,14,15) 110.1653 calculate D2E/DX2 analytically ! ! A40 A(2,14,16) 108.0573 calculate D2E/DX2 analytically ! ! A41 A(11,14,15) 110.9632 calculate D2E/DX2 analytically ! ! A42 A(11,14,16) 109.1837 calculate D2E/DX2 analytically ! ! A43 A(15,14,16) 105.3238 calculate D2E/DX2 analytically ! ! A44 A(14,15,18) 101.5892 calculate D2E/DX2 analytically ! ! A45 A(8,17,12) 104.0188 calculate D2E/DX2 analytically ! ! A46 A(7,18,15) 104.0161 calculate D2E/DX2 analytically ! ! A47 A(7,19,21) 105.8367 calculate D2E/DX2 analytically ! ! A48 A(8,20,21) 105.8342 calculate D2E/DX2 analytically ! ! A49 A(19,21,20) 107.2908 calculate D2E/DX2 analytically ! ! A50 A(19,21,22) 109.5635 calculate D2E/DX2 analytically ! ! A51 A(19,21,23) 109.8894 calculate D2E/DX2 analytically ! ! A52 A(20,21,22) 109.5597 calculate D2E/DX2 analytically ! ! A53 A(20,21,23) 109.8912 calculate D2E/DX2 analytically ! ! A54 A(22,21,23) 110.5842 calculate D2E/DX2 analytically ! ! D1 D(4,1,2,7) -66.0226 calculate D2E/DX2 analytically ! ! D2 D(4,1,2,10) -171.1557 calculate D2E/DX2 analytically ! ! D3 D(4,1,2,14) 33.2854 calculate D2E/DX2 analytically ! ! D4 D(5,1,2,7) 99.6799 calculate D2E/DX2 analytically ! ! D5 D(5,1,2,10) -5.4532 calculate D2E/DX2 analytically ! ! D6 D(5,1,2,14) -161.0122 calculate D2E/DX2 analytically ! ! D7 D(2,1,4,3) 0.0022 calculate D2E/DX2 analytically ! ! D8 D(2,1,4,6) 165.757 calculate D2E/DX2 analytically ! ! D9 D(5,1,4,3) -165.7544 calculate D2E/DX2 analytically ! ! D10 D(5,1,4,6) 0.0004 calculate D2E/DX2 analytically ! ! D11 D(1,2,7,8) 57.098 calculate D2E/DX2 analytically ! ! D12 D(1,2,7,18) -174.1682 calculate D2E/DX2 analytically ! ! D13 D(1,2,7,19) -57.3753 calculate D2E/DX2 analytically ! ! D14 D(10,2,7,8) 178.23 calculate D2E/DX2 analytically ! ! D15 D(10,2,7,18) -53.0362 calculate D2E/DX2 analytically ! ! D16 D(10,2,7,19) 63.7567 calculate D2E/DX2 analytically ! ! D17 D(14,2,7,8) -64.5727 calculate D2E/DX2 analytically ! ! D18 D(14,2,7,18) 64.161 calculate D2E/DX2 analytically ! ! D19 D(14,2,7,19) -179.0461 calculate D2E/DX2 analytically ! ! D20 D(1,2,14,11) -31.541 calculate D2E/DX2 analytically ! ! D21 D(1,2,14,15) -156.1575 calculate D2E/DX2 analytically ! ! D22 D(1,2,14,16) 89.2699 calculate D2E/DX2 analytically ! ! D23 D(7,2,14,11) 69.519 calculate D2E/DX2 analytically ! ! D24 D(7,2,14,15) -55.0975 calculate D2E/DX2 analytically ! ! D25 D(7,2,14,16) -169.6701 calculate D2E/DX2 analytically ! ! D26 D(10,2,14,11) 172.1904 calculate D2E/DX2 analytically ! ! D27 D(10,2,14,15) 47.5739 calculate D2E/DX2 analytically ! ! D28 D(10,2,14,16) -66.9986 calculate D2E/DX2 analytically ! ! D29 D(8,3,4,1) 66.0258 calculate D2E/DX2 analytically ! ! D30 D(8,3,4,6) -99.6749 calculate D2E/DX2 analytically ! ! D31 D(9,3,4,1) 171.1552 calculate D2E/DX2 analytically ! ! D32 D(9,3,4,6) 5.4545 calculate D2E/DX2 analytically ! ! D33 D(11,3,4,1) -33.2876 calculate D2E/DX2 analytically ! ! D34 D(11,3,4,6) 161.0116 calculate D2E/DX2 analytically ! ! D35 D(4,3,8,7) -57.093 calculate D2E/DX2 analytically ! ! D36 D(4,3,8,17) 174.1751 calculate D2E/DX2 analytically ! ! D37 D(4,3,8,20) 57.3824 calculate D2E/DX2 analytically ! ! D38 D(9,3,8,7) -178.2248 calculate D2E/DX2 analytically ! ! D39 D(9,3,8,17) 53.0433 calculate D2E/DX2 analytically ! ! D40 D(9,3,8,20) -63.7494 calculate D2E/DX2 analytically ! ! D41 D(11,3,8,7) 64.5791 calculate D2E/DX2 analytically ! ! D42 D(11,3,8,17) -64.1527 calculate D2E/DX2 analytically ! ! D43 D(11,3,8,20) 179.0545 calculate D2E/DX2 analytically ! ! D44 D(4,3,11,12) 156.1536 calculate D2E/DX2 analytically ! ! D45 D(4,3,11,13) -89.2737 calculate D2E/DX2 analytically ! ! D46 D(4,3,11,14) 31.5387 calculate D2E/DX2 analytically ! ! D47 D(8,3,11,12) 55.0852 calculate D2E/DX2 analytically ! ! D48 D(8,3,11,13) 169.6579 calculate D2E/DX2 analytically ! ! D49 D(8,3,11,14) -69.5297 calculate D2E/DX2 analytically ! ! D50 D(9,3,11,12) -47.5795 calculate D2E/DX2 analytically ! ! D51 D(9,3,11,13) 66.9932 calculate D2E/DX2 analytically ! ! D52 D(9,3,11,14) -172.1944 calculate D2E/DX2 analytically ! ! D53 D(2,7,8,3) -0.0029 calculate D2E/DX2 analytically ! ! D54 D(2,7,8,17) 101.5738 calculate D2E/DX2 analytically ! ! D55 D(2,7,8,20) -109.8942 calculate D2E/DX2 analytically ! ! D56 D(18,7,8,3) -101.5737 calculate D2E/DX2 analytically ! ! D57 D(18,7,8,17) 0.003 calculate D2E/DX2 analytically ! ! D58 D(18,7,8,20) 148.535 calculate D2E/DX2 analytically ! ! D59 D(19,7,8,3) 109.8882 calculate D2E/DX2 analytically ! ! D60 D(19,7,8,17) -148.5351 calculate D2E/DX2 analytically ! ! D61 D(19,7,8,20) -0.003 calculate D2E/DX2 analytically ! ! D62 D(2,7,18,15) -37.103 calculate D2E/DX2 analytically ! ! D63 D(8,7,18,15) 73.3561 calculate D2E/DX2 analytically ! ! D64 D(19,7,18,15) -140.1082 calculate D2E/DX2 analytically ! ! D65 D(2,7,19,21) 123.808 calculate D2E/DX2 analytically ! ! D66 D(8,7,19,21) 10.7382 calculate D2E/DX2 analytically ! ! D67 D(18,7,19,21) -141.6111 calculate D2E/DX2 analytically ! ! D68 D(3,8,17,12) 37.1052 calculate D2E/DX2 analytically ! ! D69 D(7,8,17,12) -73.3622 calculate D2E/DX2 analytically ! ! D70 D(20,8,17,12) 140.1083 calculate D2E/DX2 analytically ! ! D71 D(3,8,20,21) -123.8084 calculate D2E/DX2 analytically ! ! D72 D(7,8,20,21) -10.7328 calculate D2E/DX2 analytically ! ! D73 D(17,8,20,21) 141.61 calculate D2E/DX2 analytically ! ! D74 D(3,11,12,17) -35.5062 calculate D2E/DX2 analytically ! ! D75 D(13,11,12,17) -151.8035 calculate D2E/DX2 analytically ! ! D76 D(14,11,12,17) 90.172 calculate D2E/DX2 analytically ! ! D77 D(3,11,14,2) 0.002 calculate D2E/DX2 analytically ! ! D78 D(3,11,14,15) 124.1813 calculate D2E/DX2 analytically ! ! D79 D(3,11,14,16) -120.1643 calculate D2E/DX2 analytically ! ! D80 D(12,11,14,2) -124.1755 calculate D2E/DX2 analytically ! ! D81 D(12,11,14,15) 0.0038 calculate D2E/DX2 analytically ! ! D82 D(12,11,14,16) 115.6582 calculate D2E/DX2 analytically ! ! D83 D(13,11,14,2) 120.1702 calculate D2E/DX2 analytically ! ! D84 D(13,11,14,15) -115.6505 calculate D2E/DX2 analytically ! ! D85 D(13,11,14,16) 0.0039 calculate D2E/DX2 analytically ! ! D86 D(11,12,17,8) -19.5694 calculate D2E/DX2 analytically ! ! D87 D(2,14,15,18) 35.5171 calculate D2E/DX2 analytically ! ! D88 D(11,14,15,18) -90.1625 calculate D2E/DX2 analytically ! ! D89 D(16,14,15,18) 151.8133 calculate D2E/DX2 analytically ! ! D90 D(14,15,18,7) 19.5665 calculate D2E/DX2 analytically ! ! D91 D(7,19,21,20) -17.291 calculate D2E/DX2 analytically ! ! D92 D(7,19,21,22) -136.1554 calculate D2E/DX2 analytically ! ! D93 D(7,19,21,23) 102.1522 calculate D2E/DX2 analytically ! ! D94 D(8,20,21,19) 17.2889 calculate D2E/DX2 analytically ! ! D95 D(8,20,21,22) 136.1557 calculate D2E/DX2 analytically ! ! D96 D(8,20,21,23) -102.1532 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 -3.466304 0.386997 -0.090768 2 6 0 -3.177081 -0.273520 -1.270643 3 6 0 -3.177398 2.459269 -1.270359 4 6 0 -3.466446 1.798436 -0.090610 5 1 0 -3.909496 -0.152761 0.742286 6 1 0 -3.909739 2.337922 0.742566 7 6 0 -5.035955 0.401279 -2.447393 8 6 0 -5.035942 1.784675 -2.447207 9 1 0 -3.316369 3.538203 -1.318831 10 1 0 -3.315826 -1.352472 -1.319357 11 6 0 -2.197493 1.871923 -2.264803 12 1 0 -2.397546 2.264922 -3.270705 13 1 0 -1.192475 2.233077 -2.006542 14 6 0 -2.197295 0.314260 -2.264942 15 1 0 -2.397181 -0.078620 -3.270924 16 1 0 -1.192198 -0.046674 -2.006675 17 1 0 -4.730755 2.439298 -3.252046 18 1 0 -4.730754 -0.253187 -3.252351 19 8 0 -6.077294 -0.051144 -1.640546 20 8 0 -6.077319 2.236925 -1.640291 21 6 0 -6.867707 1.092812 -1.350028 22 1 0 -7.136286 1.092723 -0.289956 23 1 0 -7.774675 1.092842 -1.980422 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.382765 0.000000 3 C 2.401919 2.732789 0.000000 4 C 1.411439 2.401918 1.382771 0.000000 5 H 1.087077 2.145436 3.377782 2.167298 0.000000 6 H 2.167300 3.377784 2.145441 1.087077 2.490683 7 C 2.831553 2.301197 3.012468 3.157504 3.427816 8 C 3.157542 3.012612 2.300920 2.831441 3.898128 9 H 3.385368 3.814571 1.088927 2.134910 4.268866 10 H 2.134907 1.088926 3.814568 3.385370 2.458073 11 C 2.922553 2.559467 1.514631 2.518483 4.009100 12 H 3.844586 3.324396 2.155765 3.387205 4.922934 13 H 3.499786 3.280737 2.129095 3.005104 4.542079 14 C 2.518473 1.514627 2.559465 2.922540 3.491871 15 H 3.387214 2.155772 3.324437 3.844615 4.289341 16 H 3.005050 2.129076 3.280691 3.499706 3.866749 17 H 3.975482 3.701249 2.518015 3.464659 4.831969 18 H 3.464719 2.518230 3.701165 3.975454 4.079421 19 O 3.067743 2.932152 3.853389 3.555246 3.222974 20 O 3.555370 3.853616 2.931864 3.067644 4.010826 21 C 3.695058 3.936227 3.935979 3.694945 3.831480 22 H 3.742525 4.301589 4.301329 3.742392 3.609561 23 H 4.757212 4.848567 4.848326 4.757109 4.889200 6 7 8 9 10 6 H 0.000000 7 C 3.898049 0.000000 8 C 3.427691 1.383396 0.000000 9 H 2.458072 3.751123 2.702781 0.000000 10 H 4.268872 2.703137 3.751338 4.890675 0.000000 11 C 3.491878 3.202031 2.845642 2.218837 3.541364 12 H 4.289336 3.333498 2.805338 2.505053 4.211477 13 H 3.866796 4.280441 3.894546 2.585967 4.223388 14 C 4.009087 2.845848 3.202071 3.541364 2.218837 15 H 4.922967 2.805643 3.333682 4.211530 2.505039 16 H 4.541988 3.894787 4.280453 4.223337 2.585983 17 H 4.079371 2.212269 1.081405 2.635413 4.484956 18 H 4.831902 1.081402 2.212302 4.484821 2.635700 19 O 4.010630 1.392866 2.259502 4.539782 3.069580 20 O 3.222827 2.259524 1.392878 3.069121 4.540112 21 C 3.831295 2.244492 2.244513 4.311950 4.312333 22 H 3.609325 3.089340 3.089332 4.650884 4.651297 23 H 4.889030 2.863024 2.863072 5.127766 5.128148 11 12 13 14 15 11 C 0.000000 12 H 1.098321 0.000000 13 H 1.098723 1.746802 0.000000 14 C 1.557663 2.203802 2.181351 0.000000 15 H 2.203809 2.343542 2.897227 1.098321 0.000000 16 H 2.181344 2.897259 2.279751 1.098724 1.746806 17 H 2.777405 2.339790 3.756758 3.450881 3.433050 18 H 3.450906 3.432939 4.500330 2.777659 2.340167 19 O 4.375013 4.643504 5.404912 3.946870 4.025186 20 O 3.946681 4.024893 4.898556 4.375090 4.643719 21 C 4.822315 5.004516 5.825759 4.822443 5.004767 22 H 5.375765 5.719665 6.290943 5.375891 5.719907 23 H 5.638510 5.652620 6.680283 5.638644 5.652890 16 17 18 19 20 16 H 0.000000 17 H 4.500266 0.000000 18 H 3.757091 2.692485 0.000000 19 O 4.898799 3.257668 2.109954 0.000000 20 O 5.404949 2.109963 3.257704 2.288069 0.000000 21 C 5.825892 3.161845 3.161821 1.420489 1.420549 22 H 6.291068 4.046458 4.046460 2.062520 2.062526 23 H 6.680433 3.563063 3.563012 2.074927 2.075002 21 22 23 21 C 0.000000 22 H 1.093566 0.000000 23 H 1.104530 1.806991 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 0.813817 -0.705909 1.466673 2 6 0 1.103040 -1.366426 0.286798 3 6 0 1.102723 1.366363 0.287082 4 6 0 0.813675 0.705530 1.466831 5 1 0 0.370625 -1.245667 2.299727 6 1 0 0.370382 1.245016 2.300007 7 6 0 -0.755834 -0.691627 -0.889952 8 6 0 -0.755821 0.691769 -0.889766 9 1 0 0.963752 2.445297 0.238610 10 1 0 0.964295 -2.445378 0.238084 11 6 0 2.082628 0.779017 -0.707362 12 1 0 1.882575 1.172016 -1.713264 13 1 0 3.087646 1.140171 -0.449101 14 6 0 2.082826 -0.778646 -0.707501 15 1 0 1.882940 -1.171526 -1.713483 16 1 0 3.087923 -1.139580 -0.449234 17 1 0 -0.450634 1.346392 -1.694605 18 1 0 -0.450633 -1.346093 -1.694910 19 8 0 -1.797173 -1.144050 -0.083105 20 8 0 -1.797198 1.144019 -0.082850 21 6 0 -2.587586 -0.000094 0.207413 22 1 0 -2.856165 -0.000183 1.267485 23 1 0 -3.494554 -0.000064 -0.422981 --------------------------------------------------------------------- Rotational constants (GHZ): 1.9534411 0.9990354 0.9274128 Standard basis: 6-31G(d) (6D, 7F) AO basis set (Overlap normalization): Atom C1 Shell 1 S 6 bf 1 - 1 1.537891493635 -1.333974964725 2.771610503907 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 1.537891493635 -1.333974964725 2.771610503907 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 1.537891493635 -1.333974964725 2.771610503907 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C1 Shell 4 D 1 bf 10 - 15 1.537891493635 -1.333974964725 2.771610503907 0.8000000000D+00 0.1000000000D+01 Atom C2 Shell 5 S 6 bf 16 - 16 2.084443808287 -2.582171177493 0.541969882868 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 2.084443808287 -2.582171177493 0.541969882868 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 2.084443808287 -2.582171177493 0.541969882868 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C2 Shell 8 D 1 bf 25 - 30 2.084443808287 -2.582171177493 0.541969882868 0.8000000000D+00 0.1000000000D+01 Atom C3 Shell 9 S 6 bf 31 - 31 2.083844544498 2.582051611444 0.542506565090 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C3 Shell 10 SP 3 bf 32 - 35 2.083844544498 2.582051611444 0.542506565090 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C3 Shell 11 SP 1 bf 36 - 39 2.083844544498 2.582051611444 0.542506565090 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C3 Shell 12 D 1 bf 40 - 45 2.083844544498 2.582051611444 0.542506565090 0.8000000000D+00 0.1000000000D+01 Atom C4 Shell 13 S 6 bf 46 - 46 1.537623038585 1.333258198537 2.771909080636 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C4 Shell 14 SP 3 bf 47 - 50 1.537623038585 1.333258198537 2.771909080636 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C4 Shell 15 SP 1 bf 51 - 54 1.537623038585 1.333258198537 2.771909080636 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C4 Shell 16 D 1 bf 55 - 60 1.537623038585 1.333258198537 2.771909080636 0.8000000000D+00 0.1000000000D+01 Atom H5 Shell 17 S 3 bf 61 - 61 0.700380032921 -2.353969798536 4.345854417812 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 0.700380032921 -2.353969798536 4.345854417812 0.1612777588D+00 0.1000000000D+01 Atom H6 Shell 19 S 3 bf 63 - 63 0.699920628410 2.352738955278 4.346383541129 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 0.699920628410 2.352738955278 4.346383541129 0.1612777588D+00 0.1000000000D+01 Atom C7 Shell 21 S 6 bf 65 - 65 -1.428319021728 -1.306986022806 -1.681765344005 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 C7 Shell 22 SP 3 bf 66 - 69 -1.428319021728 -1.306986022806 -1.681765344005 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 C7 Shell 23 SP 1 bf 70 - 73 -1.428319021728 -1.306986022806 -1.681765344005 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C7 Shell 24 D 1 bf 74 - 79 -1.428319021728 -1.306986022806 -1.681765344005 0.8000000000D+00 0.1000000000D+01 Atom C8 Shell 25 S 6 bf 80 - 80 -1.428294566963 1.307253550525 -1.681413854944 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C8 Shell 26 SP 3 bf 81 - 84 -1.428294566963 1.307253550525 -1.681413854944 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C8 Shell 27 SP 1 bf 85 - 88 -1.428294566963 1.307253550525 -1.681413854944 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C8 Shell 28 D 1 bf 89 - 94 -1.428294566963 1.307253550525 -1.681413854944 0.8000000000D+00 0.1000000000D+01 Atom H9 Shell 29 S 3 bf 95 - 95 1.821227326987 4.620941375684 0.450907759977 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H9 Shell 30 S 1 bf 96 - 96 1.821227326987 4.620941375684 0.450907759977 0.1612777588D+00 0.1000000000D+01 Atom H10 Shell 31 S 3 bf 97 - 97 1.822253843078 -4.621094979222 0.449913764031 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H10 Shell 32 S 1 bf 98 - 98 1.822253843078 -4.621094979222 0.449913764031 0.1612777588D+00 0.1000000000D+01 Atom C11 Shell 33 S 6 bf 99 - 99 3.935596678157 1.472128605301 -1.336720249401 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 3.935596678157 1.472128605301 -1.336720249401 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 3.935596678157 1.472128605301 -1.336720249401 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C11 Shell 36 D 1 bf 108 - 113 3.935596678157 1.472128605301 -1.336720249401 0.8000000000D+00 0.1000000000D+01 Atom H12 Shell 37 S 3 bf 114 - 114 3.557551264369 2.214789069650 -3.237599545923 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H12 Shell 38 S 1 bf 115 - 115 3.557551264369 2.214789069650 -3.237599545923 0.1612777588D+00 0.1000000000D+01 Atom H13 Shell 39 S 3 bf 116 - 116 5.834805427623 2.154610838228 -0.848677688596 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H13 Shell 40 S 1 bf 117 - 117 5.834805427623 2.154610838228 -0.848677688596 0.1612777588D+00 0.1000000000D+01 Atom C14 Shell 41 S 6 bf 118 - 118 3.935970969674 -1.471427872012 -1.336982921334 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C14 Shell 42 SP 3 bf 119 - 122 3.935970969674 -1.471427872012 -1.336982921334 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C14 Shell 43 SP 1 bf 123 - 126 3.935970969674 -1.471427872012 -1.336982921334 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C14 Shell 44 D 1 bf 127 - 132 3.935970969674 -1.471427872012 -1.336982921334 0.8000000000D+00 0.1000000000D+01 Atom H15 Shell 45 S 3 bf 133 - 133 3.558241203591 -2.213863491236 -3.238013395946 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H15 Shell 46 S 1 bf 134 - 134 3.558241203591 -2.213863491236 -3.238013395946 0.1612777588D+00 0.1000000000D+01 Atom H16 Shell 47 S 3 bf 135 - 135 5.835329065795 -2.153494202922 -0.848929022172 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H16 Shell 48 S 1 bf 136 - 136 5.835329065795 -2.153494202922 -0.848929022172 0.1612777588D+00 0.1000000000D+01 Atom H17 Shell 49 S 3 bf 137 - 137 -0.851574770491 2.544311765449 -3.202339146010 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H17 Shell 50 S 1 bf 138 - 138 -0.851574770491 2.544311765449 -3.202339146010 0.1612777588D+00 0.1000000000D+01 Atom H18 Shell 51 S 3 bf 139 - 139 -0.851572663413 -2.543747501454 -3.202915512480 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H18 Shell 52 S 1 bf 140 - 140 -0.851572663413 -2.543747501454 -3.202915512480 0.1612777588D+00 0.1000000000D+01 Atom O19 Shell 53 S 6 bf 141 - 141 -3.396164506699 -2.161941673087 -0.157045482864 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 O19 Shell 54 SP 3 bf 142 - 145 -3.396164506699 -2.161941673087 -0.157045482864 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 O19 Shell 55 SP 1 bf 146 - 149 -3.396164506699 -2.161941673087 -0.157045482864 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 Atom O19 Shell 56 D 1 bf 150 - 155 -3.396164506699 -2.161941673087 -0.157045482864 0.8000000000D+00 0.1000000000D+01 Atom O20 Shell 57 S 6 bf 156 - 156 -3.396211934558 2.161882110057 -0.156563602701 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 O20 Shell 58 SP 3 bf 157 - 160 -3.396211934558 2.161882110057 -0.156563602701 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 O20 Shell 59 SP 1 bf 161 - 164 -3.396211934558 2.161882110057 -0.156563602701 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 Atom O20 Shell 60 D 1 bf 165 - 170 -3.396211934558 2.161882110057 -0.156563602701 0.8000000000D+00 0.1000000000D+01 Atom C21 Shell 61 S 6 bf 171 - 171 -4.889828700918 -0.000178188822 0.391953973809 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C21 Shell 62 SP 3 bf 172 - 175 -4.889828700918 -0.000178188822 0.391953973809 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C21 Shell 63 SP 1 bf 176 - 179 -4.889828700918 -0.000178188822 0.391953973809 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C21 Shell 64 D 1 bf 180 - 185 -4.889828700918 -0.000178188822 0.391953973809 0.8000000000D+00 0.1000000000D+01 Atom H22 Shell 65 S 3 bf 186 - 186 -5.397369455955 -0.000346396129 2.395199734950 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 -5.397369455955 -0.000346396129 2.395199734950 0.1612777588D+00 0.1000000000D+01 Atom H23 Shell 67 S 3 bf 188 - 188 -6.603749832211 -0.000121570253 -0.799318042005 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H23 Shell 68 S 1 bf 189 - 189 -6.603749832211 -0.000121570253 -0.799318042005 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 649.1440056886 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) = -500.490586536 A.U. after 15 cycles NFock= 15 Conv=0.41D-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= 1.28D-01 1.35D-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= 2.08D-02 3.70D-02. 66 vectors produced by pass 2 Test12= 8.43D-15 1.39D-09 XBig12= 1.73D-04 2.41D-03. 66 vectors produced by pass 3 Test12= 8.43D-15 1.39D-09 XBig12= 3.70D-07 6.72D-05. 66 vectors produced by pass 4 Test12= 8.43D-15 1.39D-09 XBig12= 3.98D-10 2.39D-06. 55 vectors produced by pass 5 Test12= 8.43D-15 1.39D-09 XBig12= 3.54D-13 6.41D-08. 2 vectors produced by pass 6 Test12= 8.43D-15 1.39D-09 XBig12= 3.02D-16 1.95D-09. InvSVY: IOpt=1 It= 1 EMax= 5.55D-16 Solved reduced A of dimension 387 with 72 vectors. End of Minotr F.D. properties file 721 does not exist. End of Minotr F.D. properties file 722 does not exist. End of Minotr F.D. properties file 788 does not exist. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) The electronic state is 1-A. Alpha occ. eigenvalues -- -19.16815 -19.16814 -10.28602 -10.23738 -10.23677 Alpha occ. eigenvalues -- -10.18579 -10.18562 -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 -0.60784 -0.60673 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 -0.36269 -0.35121 -0.34582 Alpha occ. eigenvalues -- -0.32849 -0.32252 -0.31725 -0.27465 -0.19648 Alpha occ. eigenvalues -- -0.19052 Alpha virt. eigenvalues -- -0.00462 0.01543 0.08100 0.10931 0.11267 Alpha virt. eigenvalues -- 0.11966 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 0.21252 0.24290 0.24318 0.24789 Alpha virt. eigenvalues -- 0.30577 0.31743 0.32866 0.37585 0.43552 Alpha virt. eigenvalues -- 0.47078 0.48268 0.48732 0.50574 0.53041 Alpha virt. eigenvalues -- 0.53411 0.54682 0.57017 0.57365 0.58249 Alpha virt. eigenvalues -- 0.58292 0.60597 0.62645 0.64669 0.65172 Alpha virt. eigenvalues -- 0.68028 0.69177 0.72548 0.73815 0.74707 Alpha virt. eigenvalues -- 0.76305 0.80486 0.81301 0.82474 0.83567 Alpha virt. eigenvalues -- 0.84782 0.84911 0.85913 0.86661 0.88232 Alpha virt. eigenvalues -- 0.88805 0.89108 0.89726 0.90402 0.91949 Alpha virt. eigenvalues -- 0.95056 0.96227 0.97337 0.98560 1.01134 Alpha virt. eigenvalues -- 1.05343 1.07614 1.12040 1.12968 1.14031 Alpha virt. eigenvalues -- 1.14812 1.19960 1.20299 1.25152 1.28995 Alpha virt. eigenvalues -- 1.31430 1.32933 1.39991 1.41504 1.44139 Alpha virt. eigenvalues -- 1.46297 1.48672 1.53313 1.56391 1.58415 Alpha virt. eigenvalues -- 1.62899 1.64404 1.67981 1.73245 1.74685 Alpha virt. eigenvalues -- 1.75979 1.79218 1.85799 1.87087 1.89384 Alpha virt. eigenvalues -- 1.89863 1.94416 1.96129 1.96314 1.98887 Alpha virt. eigenvalues -- 2.01319 2.01546 2.02323 2.05929 2.07782 Alpha virt. eigenvalues -- 2.09878 2.11355 2.18119 2.18368 2.23786 Alpha virt. eigenvalues -- 2.26190 2.27827 2.27963 2.31628 2.31862 Alpha virt. eigenvalues -- 2.37240 2.41459 2.44861 2.45989 2.46406 Alpha virt. eigenvalues -- 2.48232 2.51089 2.55038 2.59076 2.63365 Alpha virt. eigenvalues -- 2.64875 2.67413 2.69191 2.70152 2.75478 Alpha virt. eigenvalues -- 2.76755 2.80346 2.88870 2.89677 2.94339 Alpha virt. eigenvalues -- 3.13275 3.13758 4.01184 4.12433 4.12773 Alpha virt. eigenvalues -- 4.22311 4.28838 4.36076 4.37990 4.44862 Alpha virt. eigenvalues -- 4.50900 4.60325 4.87095 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 0.00003 0.00000 -0.00001 -0.00016 0.00014 2 2S 0.00008 -0.00003 -0.00003 -0.00021 0.00032 3 2PX -0.00007 -0.00001 0.00004 0.00009 -0.00005 4 2PY -0.00001 0.00000 -0.00001 -0.00005 -0.00003 5 2PZ -0.00003 -0.00001 -0.00004 0.00014 -0.00014 6 3S -0.00088 0.00041 0.00056 0.00021 -0.00042 7 3PX 0.00010 -0.00003 -0.00004 -0.00015 0.00041 8 3PY -0.00026 0.00012 -0.00012 0.00018 -0.00110 9 3PZ 0.00032 -0.00009 -0.00013 -0.00010 -0.00054 10 4XX 0.00009 0.00000 -0.00003 -0.00015 0.00015 11 4YY 0.00005 0.00001 -0.00001 -0.00013 0.00013 12 4ZZ 0.00004 0.00000 0.00000 -0.00014 0.00013 13 4XY 0.00001 -0.00001 0.00001 -0.00004 0.00008 14 4XZ 0.00002 0.00001 -0.00002 0.00003 -0.00002 15 4YZ 0.00001 0.00000 0.00000 0.00004 0.00001 16 2 C 1S -0.00002 -0.00001 0.00003 -0.00009 0.00025 17 2S -0.00013 -0.00002 0.00008 -0.00040 0.00093 18 2PX -0.00004 -0.00002 -0.00004 0.00006 -0.00005 19 2PY 0.00000 -0.00001 0.00004 -0.00007 0.00013 20 2PZ 0.00003 0.00001 0.00002 -0.00002 0.00005 21 3S 0.00104 0.00003 -0.00054 0.00143 -0.00418 22 3PX 0.00011 0.00010 0.00018 -0.00077 0.00116 23 3PY 0.00042 -0.00001 -0.00038 0.00028 -0.00133 24 3PZ -0.00027 -0.00017 -0.00029 -0.00005 -0.00027 25 4XX 0.00003 0.00000 0.00004 -0.00002 0.00012 26 4YY -0.00001 -0.00001 0.00003 -0.00018 0.00028 27 4ZZ 0.00000 0.00000 0.00002 -0.00010 0.00022 28 4XY 0.00001 0.00001 0.00002 -0.00008 0.00014 29 4XZ -0.00001 0.00000 0.00002 0.00008 -0.00009 30 4YZ -0.00002 -0.00001 -0.00002 0.00000 0.00001 31 3 C 1S 0.00000 -0.00002 0.00003 -0.00009 -0.00025 32 2S 0.00004 -0.00013 0.00008 -0.00040 -0.00093 33 2PX 0.00000 -0.00005 -0.00004 0.00006 0.00005 34 2PY 0.00001 0.00001 -0.00004 0.00007 0.00013 35 2PZ 0.00000 0.00003 0.00002 -0.00002 -0.00005 36 3S -0.00047 0.00093 -0.00054 0.00142 0.00418 37 3PX 0.00004 0.00014 0.00018 -0.00077 -0.00117 38 3PY 0.00021 -0.00037 0.00038 -0.00027 -0.00133 39 3PZ -0.00002 -0.00032 -0.00029 -0.00005 0.00027 40 4XX -0.00002 0.00003 0.00004 -0.00002 -0.00012 41 4YY -0.00001 -0.00001 0.00003 -0.00018 -0.00028 42 4ZZ 0.00000 0.00000 0.00002 -0.00010 -0.00022 43 4XY 0.00000 -0.00001 -0.00002 0.00008 0.00014 44 4XZ 0.00001 -0.00001 0.00002 0.00008 0.00009 45 4YZ 0.00000 0.00002 0.00002 0.00000 0.00001 46 4 C 1S -0.00002 0.00002 -0.00001 -0.00016 -0.00014 47 2S -0.00006 0.00005 -0.00003 -0.00021 -0.00032 48 2PX 0.00002 -0.00007 0.00004 0.00009 0.00005 49 2PY 0.00000 0.00001 0.00001 0.00005 -0.00002 50 2PZ 0.00000 -0.00003 -0.00004 0.00014 0.00014 51 3S 0.00078 -0.00058 0.00056 0.00021 0.00042 52 3PX -0.00007 0.00007 -0.00004 -0.00015 -0.00041 53 3PY -0.00023 0.00017 0.00012 -0.00018 -0.00110 54 3PZ -0.00023 0.00024 -0.00013 -0.00010 0.00054 55 4XX -0.00004 0.00008 -0.00003 -0.00015 -0.00015 56 4YY -0.00002 0.00005 -0.00001 -0.00013 -0.00013 57 4ZZ -0.00002 0.00003 0.00000 -0.00014 -0.00013 58 4XY 0.00002 0.00000 -0.00001 0.00004 0.00008 59 4XZ 0.00000 0.00002 -0.00002 0.00003 0.00002 60 4YZ 0.00001 -0.00001 0.00000 -0.00004 0.00001 61 5 H 1S 0.00004 -0.00001 -0.00003 0.00005 0.00002 62 2S -0.00006 0.00001 -0.00005 -0.00014 0.00013 63 6 H 1S -0.00002 0.00003 -0.00003 0.00005 -0.00002 64 2S 0.00004 -0.00005 -0.00005 -0.00014 -0.00013 65 7 C 1S 0.00001 0.00000 -0.00012 0.70244 -0.70197 66 2S 0.00026 0.00013 -0.00037 0.03462 -0.03560 67 2PX -0.00026 -0.00001 -0.00006 -0.00042 0.00032 68 2PY -0.00014 -0.00006 -0.00013 -0.00028 -0.00007 69 2PZ 0.00022 0.00003 0.00003 0.00052 -0.00061 70 3S -0.00207 -0.00029 0.00100 -0.00728 0.01890 71 3PX 0.00111 -0.00023 -0.00084 -0.00005 0.00002 72 3PY 0.00065 0.00018 0.00051 0.00055 0.00447 73 3PZ -0.00102 0.00018 0.00071 -0.00060 0.00249 74 4XX 0.00010 0.00000 0.00012 -0.00638 0.00611 75 4YY 0.00012 -0.00008 -0.00003 -0.00643 0.00589 76 4ZZ 0.00005 -0.00004 -0.00006 -0.00635 0.00607 77 4XY 0.00006 0.00004 -0.00004 0.00009 0.00004 78 4XZ -0.00007 0.00000 -0.00017 -0.00020 0.00020 79 4YZ -0.00006 -0.00005 -0.00001 0.00008 -0.00001 80 8 C 1S -0.00001 0.00000 -0.00012 0.70162 0.70278 81 2S -0.00001 0.00029 -0.00037 0.03458 0.03564 82 2PX 0.00011 -0.00023 -0.00006 -0.00042 -0.00032 83 2PY -0.00001 0.00015 0.00013 0.00028 -0.00007 84 2PZ -0.00008 0.00021 0.00003 0.00052 0.00061 85 3S 0.00073 -0.00196 0.00100 -0.00726 -0.01891 86 3PX -0.00073 0.00087 -0.00084 -0.00005 -0.00002 87 3PY 0.00015 -0.00066 -0.00051 -0.00056 0.00447 88 3PZ 0.00064 -0.00081 0.00071 -0.00060 -0.00249 89 4XX -0.00005 0.00009 0.00012 -0.00638 -0.00611 90 4YY -0.00013 0.00006 -0.00003 -0.00642 -0.00590 91 4ZZ -0.00006 0.00003 -0.00006 -0.00634 -0.00608 92 4XY -0.00001 -0.00008 0.00004 -0.00009 0.00004 93 4XZ 0.00003 -0.00006 -0.00017 -0.00020 -0.00020 94 4YZ 0.00001 0.00007 0.00001 -0.00008 -0.00001 95 9 H 1S 0.00000 0.00000 0.00000 -0.00007 -0.00009 96 2S -0.00003 0.00006 -0.00012 -0.00010 -0.00006 97 10 H 1S 0.00000 0.00000 0.00000 -0.00007 0.00009 98 2S 0.00007 0.00000 -0.00012 -0.00010 0.00006 99 11 C 1S -0.00001 0.00002 -0.00002 -0.00007 -0.00005 100 2S -0.00006 0.00012 -0.00005 -0.00009 -0.00007 101 2PX 0.00002 0.00000 0.00004 0.00013 0.00014 102 2PY -0.00001 -0.00002 0.00004 0.00003 -0.00001 103 2PZ 0.00001 -0.00002 0.00000 0.00005 -0.00002 104 3S 0.00047 -0.00084 0.00003 0.00021 -0.00052 105 3PX -0.00027 0.00039 -0.00022 -0.00031 -0.00031 106 3PY -0.00017 0.00002 -0.00017 0.00004 0.00019 107 3PZ 0.00005 -0.00017 0.00006 -0.00029 -0.00052 108 4XX -0.00001 0.00001 -0.00002 -0.00005 -0.00006 109 4YY 0.00000 0.00003 -0.00003 -0.00005 -0.00005 110 4ZZ -0.00001 0.00002 -0.00002 -0.00003 -0.00003 111 4XY 0.00001 0.00001 0.00000 -0.00003 0.00001 112 4XZ -0.00001 0.00003 -0.00002 0.00002 0.00001 113 4YZ 0.00000 0.00000 -0.00001 0.00002 0.00005 114 12 H 1S -0.00003 0.00006 -0.00002 -0.00003 -0.00004 115 2S 0.00002 -0.00002 0.00007 -0.00036 -0.00027 116 13 H 1S 0.00000 0.00001 0.00002 0.00000 0.00004 117 2S 0.00007 -0.00007 0.00011 0.00031 0.00036 118 14 C 1S 0.00003 0.00000 -0.00002 -0.00007 0.00005 119 2S 0.00013 0.00000 -0.00005 -0.00009 0.00007 120 2PX -0.00001 0.00001 0.00004 0.00013 -0.00014 121 2PY 0.00001 0.00002 -0.00004 -0.00003 -0.00001 122 2PZ -0.00002 0.00000 0.00000 0.00005 0.00002 123 3S -0.00096 0.00001 0.00003 0.00021 0.00052 124 3PX 0.00047 -0.00005 -0.00022 -0.00031 0.00031 125 3PY -0.00010 0.00014 0.00017 -0.00004 0.00019 126 3PZ -0.00017 -0.00003 0.00006 -0.00029 0.00052 127 4XX 0.00001 -0.00001 -0.00002 -0.00005 0.00006 128 4YY 0.00002 0.00001 -0.00003 -0.00005 0.00004 129 4ZZ 0.00002 0.00000 -0.00002 -0.00003 0.00003 130 4XY 0.00000 -0.00001 0.00000 0.00003 0.00001 131 4XZ 0.00003 0.00001 -0.00002 0.00002 -0.00001 132 4YZ 0.00000 0.00000 0.00001 -0.00002 0.00005 133 15 H 1S 0.00007 0.00000 -0.00002 -0.00003 0.00004 134 2S -0.00003 0.00000 0.00007 -0.00036 0.00027 135 16 H 1S 0.00001 0.00001 0.00002 0.00000 -0.00004 136 2S -0.00009 0.00003 0.00011 0.00031 -0.00036 137 17 H 1S 0.00005 0.00010 0.00006 -0.00027 -0.00008 138 2S 0.00009 0.00003 0.00031 0.00163 0.00089 139 18 H 1S 0.00007 0.00009 0.00006 -0.00027 0.00008 140 2S -0.00002 0.00010 0.00031 0.00163 -0.00088 141 19 O 1S 0.96249 0.24307 -0.00006 -0.00003 0.00013 142 2S 0.02495 0.00638 0.00005 0.00011 0.00031 143 2PX 0.00012 0.00002 0.00010 -0.00010 0.00007 144 2PY 0.00085 0.00019 0.00000 0.00004 0.00003 145 2PZ -0.00030 -0.00007 -0.00005 0.00003 -0.00003 146 3S 0.01282 0.00297 0.00094 -0.00008 -0.00324 147 3PX 0.00031 0.00001 -0.00058 0.00043 -0.00052 148 3PY 0.00035 0.00018 -0.00045 -0.00072 -0.00023 149 3PZ -0.00022 0.00003 0.00039 0.00015 0.00001 150 4XX -0.00797 -0.00201 -0.00014 -0.00015 0.00034 151 4YY -0.00803 -0.00206 -0.00049 -0.00001 0.00036 152 4ZZ -0.00796 -0.00196 0.00005 -0.00005 0.00033 153 4XY 0.00003 0.00000 0.00025 -0.00004 0.00016 154 4XZ 0.00002 0.00002 0.00017 0.00030 -0.00037 155 4YZ 0.00001 0.00001 -0.00004 0.00014 -0.00014 156 20 O 1S -0.24305 0.96249 -0.00006 -0.00003 -0.00013 157 2S -0.00623 0.02498 0.00005 0.00011 -0.00031 158 2PX -0.00004 0.00012 0.00010 -0.00010 -0.00007 159 2PY 0.00024 -0.00084 0.00000 -0.00004 0.00003 160 2PZ 0.00008 -0.00030 -0.00005 0.00003 0.00003 161 3S -0.00348 0.01269 0.00094 -0.00008 0.00324 162 3PX -0.00013 0.00028 -0.00058 0.00043 0.00052 163 3PY 0.00001 -0.00039 0.00045 0.00072 -0.00023 164 3PZ 0.00013 -0.00017 0.00039 0.00015 -0.00001 165 4XX 0.00202 -0.00797 -0.00014 -0.00015 -0.00034 166 4YY 0.00199 -0.00804 -0.00049 -0.00001 -0.00036 167 4ZZ 0.00206 -0.00794 0.00005 -0.00005 -0.00033 168 4XY 0.00001 -0.00003 -0.00025 0.00004 0.00016 169 4XZ 0.00000 0.00003 0.00017 0.00030 0.00037 170 4YZ 0.00000 -0.00001 0.00004 -0.00014 -0.00014 171 21 C 1S 0.00001 0.00002 0.99303 0.00002 0.00000 172 2S 0.00019 0.00031 0.04865 -0.00053 0.00000 173 2PX 0.00014 0.00023 0.00093 0.00014 0.00000 174 2PY -0.00038 0.00022 0.00000 0.00000 -0.00006 175 2PZ -0.00004 -0.00006 -0.00040 -0.00001 0.00000 176 3S -0.00142 -0.00238 -0.01346 0.00269 0.00000 177 3PX -0.00042 -0.00070 -0.00021 0.00125 0.00000 178 3PY 0.00102 -0.00061 0.00000 0.00000 -0.00003 179 3PZ 0.00006 0.00009 0.00041 -0.00115 0.00000 180 4XX 0.00008 0.00013 -0.00874 0.00018 0.00000 181 4YY 0.00019 0.00032 -0.00875 0.00004 0.00000 182 4ZZ 0.00001 0.00002 -0.00880 -0.00009 0.00000 183 4XY -0.00016 0.00010 0.00000 0.00000 0.00004 184 4XZ -0.00003 -0.00005 -0.00006 -0.00017 0.00000 185 4YZ 0.00005 -0.00003 0.00000 0.00000 -0.00006 186 22 H 1S 0.00009 0.00014 -0.00017 -0.00001 0.00000 187 2S 0.00007 0.00012 0.00248 0.00023 0.00000 188 23 H 1S 0.00007 0.00011 -0.00010 -0.00021 0.00000 189 2S -0.00001 -0.00001 0.00276 -0.00014 0.00000 6 7 8 9 10 O O O O O Eigenvalues -- -10.18579 -10.18562 -10.18500 -10.18498 -10.16918 1 1 C 1S 0.00171 -0.00236 -0.01250 0.01384 0.70302 2 2S -0.00016 0.00012 -0.00037 0.00035 0.03496 3 2PX -0.00008 0.00004 0.00011 -0.00008 -0.00014 4 2PY -0.00005 -0.00007 -0.00012 0.00009 -0.00011 5 2PZ 0.00013 -0.00012 0.00004 0.00013 -0.00024 6 3S 0.00108 -0.00156 -0.00926 0.00341 -0.00786 7 3PX 0.00017 -0.00023 -0.00199 0.00049 0.00012 8 3PY -0.00018 0.00036 -0.00027 -0.00048 0.00067 9 3PZ -0.00066 0.00122 0.00501 -0.00156 0.00109 10 4XX -0.00012 0.00009 0.00013 -0.00021 -0.00671 11 4YY -0.00005 0.00011 0.00024 -0.00020 -0.00676 12 4ZZ -0.00008 0.00007 0.00018 -0.00024 -0.00660 13 4XY 0.00003 -0.00006 -0.00004 0.00002 0.00002 14 4XZ -0.00004 0.00002 -0.00002 0.00003 -0.00010 15 4YZ 0.00004 0.00002 0.00009 -0.00016 -0.00001 16 2 C 1S 0.10575 -0.13873 -0.66378 0.71768 -0.01374 17 2S 0.00515 -0.00698 -0.03467 0.03604 -0.00088 18 2PX -0.00010 -0.00003 0.00015 -0.00004 -0.00002 19 2PY -0.00007 -0.00006 -0.00051 0.00015 -0.00007 20 2PZ 0.00007 0.00009 0.00020 -0.00011 -0.00022 21 3S 0.00062 -0.00022 0.02245 -0.01365 0.00249 22 3PX 0.00119 -0.00127 0.00033 -0.00005 -0.00029 23 3PY 0.00040 -0.00038 0.00682 -0.00142 0.00054 24 3PZ -0.00131 0.00139 0.00024 0.00031 0.00130 25 4XX -0.00118 0.00140 0.00566 -0.00658 0.00008 26 4YY -0.00100 0.00131 0.00550 -0.00633 0.00013 27 4ZZ -0.00115 0.00134 0.00557 -0.00637 -0.00004 28 4XY -0.00003 0.00001 -0.00003 0.00003 0.00000 29 4XZ 0.00006 -0.00009 0.00000 -0.00013 0.00003 30 4YZ 0.00007 -0.00007 -0.00001 0.00008 -0.00003 31 3 C 1S 0.10550 0.13946 0.71221 0.66953 -0.01369 32 2S 0.00514 0.00702 0.03710 0.03353 -0.00088 33 2PX -0.00010 0.00002 -0.00015 -0.00003 -0.00002 34 2PY 0.00007 -0.00006 -0.00052 -0.00011 0.00007 35 2PZ 0.00007 -0.00009 -0.00021 -0.00010 -0.00022 36 3S 0.00061 0.00022 -0.02335 -0.01205 0.00248 37 3PX 0.00118 0.00127 -0.00034 -0.00002 -0.00029 38 3PY -0.00039 -0.00038 0.00691 0.00095 -0.00054 39 3PZ -0.00131 -0.00139 -0.00021 0.00032 0.00130 40 4XX -0.00118 -0.00141 -0.00610 -0.00617 0.00008 41 4YY -0.00100 -0.00131 -0.00593 -0.00593 0.00013 42 4ZZ -0.00114 -0.00134 -0.00600 -0.00596 -0.00004 43 4XY 0.00003 0.00001 -0.00004 -0.00003 0.00000 44 4XZ 0.00006 0.00009 -0.00001 -0.00013 0.00003 45 4YZ -0.00007 -0.00007 -0.00002 -0.00008 0.00003 46 4 C 1S 0.00171 0.00237 0.01343 0.01293 0.70056 47 2S -0.00016 -0.00012 0.00040 0.00032 0.03484 48 2PX -0.00008 -0.00004 -0.00012 -0.00008 -0.00014 49 2PY 0.00005 -0.00007 -0.00012 -0.00009 0.00011 50 2PZ 0.00013 0.00012 -0.00003 0.00014 -0.00024 51 3S 0.00108 0.00156 0.00948 0.00276 -0.00780 52 3PX 0.00017 0.00023 0.00201 0.00035 0.00012 53 3PY 0.00018 0.00036 -0.00024 0.00050 -0.00069 54 3PZ -0.00065 -0.00122 -0.00511 -0.00121 0.00108 55 4XX -0.00012 -0.00009 -0.00015 -0.00020 -0.00669 56 4YY -0.00005 -0.00011 -0.00025 -0.00019 -0.00674 57 4ZZ -0.00008 -0.00007 -0.00020 -0.00023 -0.00657 58 4XY -0.00003 -0.00006 -0.00004 -0.00002 -0.00002 59 4XZ -0.00004 -0.00002 0.00002 0.00003 -0.00010 60 4YZ -0.00004 0.00001 0.00010 0.00016 0.00001 61 5 H 1S -0.00001 0.00001 -0.00006 -0.00008 -0.00030 62 2S 0.00027 -0.00028 -0.00096 0.00027 0.00137 63 6 H 1S -0.00001 -0.00001 0.00005 -0.00008 -0.00030 64 2S 0.00027 0.00029 0.00098 0.00020 0.00137 65 7 C 1S 0.00001 0.00002 0.00020 -0.00012 0.00001 66 2S -0.00010 0.00020 0.00130 -0.00060 -0.00027 67 2PX -0.00011 0.00009 0.00015 -0.00009 -0.00007 68 2PY 0.00003 -0.00006 -0.00008 -0.00005 -0.00017 69 2PZ 0.00003 -0.00005 0.00009 -0.00003 -0.00020 70 3S 0.00045 -0.00068 -0.00966 0.00279 0.00077 71 3PX 0.00068 -0.00175 -0.00017 0.00037 -0.00033 72 3PY -0.00016 0.00022 -0.00202 -0.00054 0.00043 73 3PZ -0.00043 0.00128 -0.00394 0.00095 0.00098 74 4XX -0.00009 0.00011 0.00002 0.00000 -0.00015 75 4YY -0.00007 0.00013 0.00025 -0.00015 -0.00014 76 4ZZ -0.00012 0.00011 0.00020 -0.00012 -0.00016 77 4XY -0.00004 -0.00003 -0.00004 -0.00006 0.00003 78 4XZ 0.00006 -0.00007 0.00000 0.00006 -0.00006 79 4YZ 0.00005 -0.00004 -0.00002 -0.00008 -0.00006 80 8 C 1S 0.00001 -0.00002 -0.00020 -0.00010 0.00001 81 2S -0.00010 -0.00020 -0.00134 -0.00051 -0.00027 82 2PX -0.00011 -0.00009 -0.00016 -0.00008 -0.00007 83 2PY -0.00003 -0.00006 -0.00008 0.00005 0.00017 84 2PZ 0.00003 0.00005 -0.00009 -0.00002 -0.00020 85 3S 0.00045 0.00068 0.00983 0.00211 0.00075 86 3PX 0.00068 0.00175 0.00019 0.00036 -0.00033 87 3PY 0.00016 0.00022 -0.00198 0.00068 -0.00042 88 3PZ -0.00042 -0.00128 0.00400 0.00068 0.00097 89 4XX -0.00009 -0.00011 -0.00002 0.00000 -0.00015 90 4YY -0.00007 -0.00013 -0.00026 -0.00014 -0.00014 91 4ZZ -0.00012 -0.00011 -0.00021 -0.00010 -0.00015 92 4XY 0.00004 -0.00003 -0.00004 0.00006 -0.00003 93 4XZ 0.00006 0.00007 0.00000 0.00006 -0.00006 94 4YZ -0.00005 -0.00004 -0.00001 0.00008 0.00006 95 9 H 1S -0.00011 -0.00008 -0.00017 -0.00009 -0.00003 96 2S 0.00042 0.00025 0.00032 0.00165 0.00004 97 10 H 1S -0.00011 0.00008 0.00017 -0.00010 -0.00003 98 2S 0.00042 -0.00025 -0.00020 0.00167 0.00004 99 11 C 1S 0.69282 0.68962 -0.14309 -0.10104 0.00025 100 2S 0.03474 0.03526 -0.00791 -0.00527 -0.00017 101 2PX -0.00009 -0.00014 -0.00013 0.00006 -0.00002 102 2PY 0.00002 -0.00006 -0.00008 -0.00001 0.00004 103 2PZ 0.00002 0.00002 0.00002 -0.00008 -0.00010 104 3S -0.00976 -0.01800 0.01306 0.00414 0.00051 105 3PX 0.00048 0.00111 -0.00256 -0.00098 -0.00003 106 3PY -0.00104 0.00254 -0.00156 0.00063 0.00004 107 3PZ -0.00032 -0.00046 0.00316 0.00088 0.00041 108 4XX -0.00630 -0.00599 0.00115 0.00077 -0.00004 109 4YY -0.00660 -0.00592 0.00107 0.00083 -0.00005 110 4ZZ -0.00630 -0.00601 0.00106 0.00072 -0.00004 111 4XY 0.00006 -0.00001 0.00015 0.00012 -0.00001 112 4XZ 0.00008 0.00010 0.00005 0.00007 -0.00006 113 4YZ -0.00004 0.00000 -0.00014 -0.00010 0.00001 114 12 H 1S -0.00009 0.00026 -0.00025 -0.00006 0.00001 115 2S 0.00193 0.00211 -0.00017 -0.00031 0.00023 116 13 H 1S -0.00012 0.00015 -0.00042 -0.00009 -0.00005 117 2S 0.00181 0.00186 -0.00031 -0.00016 -0.00015 118 14 C 1S 0.69535 -0.68718 0.13544 -0.11043 0.00025 119 2S 0.03487 -0.03513 0.00751 -0.00579 -0.00017 120 2PX -0.00009 0.00014 0.00013 0.00005 -0.00002 121 2PY -0.00002 -0.00006 -0.00008 0.00001 -0.00004 122 2PZ 0.00002 -0.00002 -0.00003 -0.00008 -0.00010 123 3S -0.00983 0.01797 -0.01273 0.00503 0.00051 124 3PX 0.00048 -0.00111 0.00248 -0.00116 -0.00003 125 3PY 0.00103 0.00254 -0.00160 -0.00052 -0.00004 126 3PZ -0.00032 0.00046 -0.00309 0.00110 0.00041 127 4XX -0.00632 0.00597 -0.00109 0.00085 -0.00004 128 4YY -0.00662 0.00589 -0.00100 0.00090 -0.00005 129 4ZZ -0.00632 0.00599 -0.00101 0.00079 -0.00004 130 4XY -0.00006 -0.00001 0.00014 -0.00013 0.00001 131 4XZ 0.00008 -0.00010 -0.00004 0.00007 -0.00006 132 4YZ 0.00004 0.00000 -0.00013 0.00011 -0.00001 133 15 H 1S -0.00009 -0.00026 0.00025 -0.00008 0.00001 134 2S 0.00193 -0.00210 0.00015 -0.00032 0.00023 135 16 H 1S -0.00012 -0.00015 0.00041 -0.00012 -0.00005 136 2S 0.00182 -0.00185 0.00029 -0.00018 -0.00015 137 17 H 1S -0.00006 -0.00024 -0.00014 -0.00012 0.00007 138 2S -0.00057 -0.00085 0.00057 -0.00024 0.00049 139 18 H 1S -0.00006 0.00024 0.00014 -0.00013 0.00007 140 2S -0.00057 0.00085 -0.00059 -0.00020 0.00049 141 19 O 1S -0.00003 0.00005 -0.00011 0.00006 0.00004 142 2S -0.00013 0.00022 -0.00054 0.00029 0.00025 143 2PX -0.00001 0.00001 -0.00006 0.00002 -0.00003 144 2PY 0.00000 0.00000 -0.00001 0.00002 0.00003 145 2PZ 0.00000 -0.00001 0.00001 -0.00004 -0.00003 146 3S 0.00064 -0.00137 0.00358 -0.00161 -0.00144 147 3PX 0.00021 -0.00035 0.00147 -0.00052 -0.00017 148 3PY 0.00011 -0.00014 0.00051 -0.00020 -0.00052 149 3PZ -0.00013 0.00028 -0.00046 0.00034 0.00010 150 4XX -0.00005 0.00010 -0.00011 0.00012 0.00009 151 4YY -0.00008 0.00015 -0.00031 0.00014 0.00000 152 4ZZ -0.00007 0.00012 -0.00034 0.00021 0.00014 153 4XY 0.00004 -0.00004 0.00008 -0.00002 -0.00003 154 4XZ -0.00003 0.00003 -0.00004 0.00003 0.00003 155 4YZ -0.00002 0.00003 -0.00002 -0.00001 0.00000 156 20 O 1S -0.00003 -0.00005 0.00011 0.00005 0.00004 157 2S -0.00013 -0.00022 0.00056 0.00025 0.00025 158 2PX -0.00001 -0.00001 0.00006 0.00002 -0.00003 159 2PY 0.00000 0.00000 -0.00002 -0.00002 -0.00003 160 2PZ 0.00000 0.00001 -0.00001 -0.00004 -0.00003 161 3S 0.00063 0.00137 -0.00368 -0.00136 -0.00144 162 3PX 0.00021 0.00035 -0.00150 -0.00042 -0.00017 163 3PY -0.00010 -0.00014 0.00052 0.00016 0.00052 164 3PZ -0.00012 -0.00028 0.00048 0.00030 0.00010 165 4XX -0.00005 -0.00010 0.00012 0.00011 0.00010 166 4YY -0.00008 -0.00015 0.00032 0.00012 0.00000 167 4ZZ -0.00007 -0.00012 0.00035 0.00019 0.00014 168 4XY -0.00004 -0.00004 0.00008 0.00001 0.00003 169 4XZ -0.00003 -0.00003 0.00004 0.00002 0.00003 170 4YZ 0.00002 0.00003 -0.00002 0.00001 0.00000 171 21 C 1S -0.00001 0.00000 0.00000 0.00000 0.00001 172 2S -0.00007 0.00000 0.00000 0.00007 0.00000 173 2PX -0.00001 0.00000 0.00000 0.00009 -0.00002 174 2PY 0.00000 -0.00002 0.00007 0.00000 0.00000 175 2PZ 0.00004 0.00000 0.00000 0.00004 -0.00011 176 3S 0.00025 0.00000 0.00000 -0.00014 0.00050 177 3PX 0.00007 0.00000 0.00000 -0.00014 0.00051 178 3PY 0.00000 0.00010 -0.00034 0.00001 0.00000 179 3PZ -0.00023 0.00000 -0.00002 -0.00047 0.00033 180 4XX -0.00001 0.00000 0.00000 0.00006 -0.00002 181 4YY 0.00000 0.00000 0.00000 0.00001 0.00007 182 4ZZ -0.00003 0.00000 0.00000 0.00005 -0.00002 183 4XY 0.00000 0.00002 0.00001 0.00000 0.00000 184 4XZ -0.00001 0.00000 0.00000 0.00001 -0.00004 185 4YZ 0.00000 0.00000 0.00001 0.00000 0.00000 186 22 H 1S 0.00001 0.00000 0.00000 0.00004 -0.00008 187 2S 0.00010 0.00000 0.00001 0.00027 -0.00018 188 23 H 1S -0.00003 0.00000 0.00000 -0.00006 0.00002 189 2S -0.00007 0.00000 -0.00001 -0.00017 0.00030 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 -0.70085 -0.00162 0.00106 -0.09183 0.02765 2 2S -0.03557 0.00206 -0.00129 0.17564 -0.05301 3 2PX 0.00008 -0.00094 0.00080 0.01145 -0.00581 4 2PY -0.00029 0.00019 0.00087 0.02828 -0.01094 5 2PZ 0.00030 -0.00123 0.00064 -0.05056 0.00537 6 3S 0.01692 0.00147 0.00885 0.10903 -0.03559 7 3PX 0.00026 -0.00114 0.00281 -0.00083 -0.00033 8 3PY 0.00339 0.00004 0.00000 0.00133 -0.00318 9 3PZ -0.00281 0.00032 -0.00615 -0.00076 0.00016 10 4XX 0.00644 0.00009 -0.00023 -0.00844 0.00268 11 4YY 0.00606 -0.00009 0.00037 0.00290 -0.00093 12 4ZZ 0.00630 -0.00015 0.00023 0.00103 0.00080 13 4XY -0.00004 -0.00003 0.00002 0.00046 -0.00030 14 4XZ 0.00013 0.00023 -0.00022 -0.00449 0.00189 15 4YZ -0.00013 0.00005 -0.00009 0.00012 0.00017 16 2 C 1S 0.01336 -0.00220 0.00284 -0.09083 0.01508 17 2S 0.00064 0.00217 -0.00019 0.16945 -0.02981 18 2PX 0.00005 -0.00174 0.00174 0.01463 -0.01409 19 2PY 0.00005 0.00066 0.00046 0.04658 -0.00964 20 2PZ 0.00010 -0.00015 0.00041 0.01668 -0.01498 21 3S -0.00372 0.00810 -0.02415 0.13002 -0.01718 22 3PX 0.00002 -0.00079 0.00466 0.00259 -0.00143 23 3PY -0.00115 0.00311 -0.01141 0.01294 0.00027 24 3PZ -0.00113 -0.00202 -0.00117 -0.00367 -0.00732 25 4XX -0.00013 0.00013 0.00000 -0.00594 0.00188 26 4YY -0.00002 -0.00037 0.00083 0.00085 -0.00037 27 4ZZ 0.00013 -0.00034 0.00064 -0.00009 -0.00054 28 4XY -0.00005 -0.00009 0.00020 0.00234 -0.00106 29 4XZ -0.00006 -0.00003 0.00010 -0.00570 0.00205 30 4YZ 0.00007 -0.00001 -0.00014 0.00227 -0.00148 31 3 C 1S -0.01340 -0.00220 -0.00284 -0.09083 0.01506 32 2S -0.00064 0.00217 0.00019 0.16945 -0.02975 33 2PX -0.00005 -0.00174 -0.00174 0.01464 -0.01409 34 2PY 0.00005 -0.00066 0.00046 -0.04658 0.00964 35 2PZ -0.00010 -0.00015 -0.00041 0.01667 -0.01498 36 3S 0.00373 0.00810 0.02416 0.13003 -0.01713 37 3PX -0.00002 -0.00079 -0.00466 0.00259 -0.00143 38 3PY -0.00115 -0.00311 -0.01141 -0.01294 -0.00027 39 3PZ 0.00114 -0.00202 0.00117 -0.00368 -0.00733 40 4XX 0.00013 0.00013 0.00000 -0.00594 0.00188 41 4YY 0.00002 -0.00037 -0.00083 0.00085 -0.00037 42 4ZZ -0.00013 -0.00034 -0.00064 -0.00009 -0.00054 43 4XY -0.00005 0.00009 0.00020 -0.00234 0.00106 44 4XZ 0.00006 -0.00003 -0.00010 -0.00570 0.00205 45 4YZ 0.00007 0.00001 -0.00014 -0.00227 0.00148 46 4 C 1S 0.70331 -0.00162 -0.00106 -0.09183 0.02764 47 2S 0.03569 0.00206 0.00129 0.17564 -0.05299 48 2PX -0.00008 -0.00094 -0.00080 0.01145 -0.00581 49 2PY -0.00029 -0.00019 0.00087 -0.02827 0.01095 50 2PZ -0.00030 -0.00123 -0.00064 -0.05057 0.00536 51 3S -0.01695 0.00147 -0.00885 0.10902 -0.03558 52 3PX -0.00026 -0.00114 -0.00281 -0.00083 -0.00033 53 3PY 0.00339 -0.00003 0.00000 -0.00133 0.00319 54 3PZ 0.00281 0.00032 0.00615 -0.00076 0.00016 55 4XX -0.00647 0.00009 0.00023 -0.00844 0.00268 56 4YY -0.00608 -0.00009 -0.00037 0.00290 -0.00093 57 4ZZ -0.00632 -0.00015 -0.00023 0.00103 0.00080 58 4XY -0.00004 0.00003 0.00002 -0.00046 0.00030 59 4XZ -0.00013 0.00023 0.00022 -0.00449 0.00189 60 4YZ -0.00013 -0.00005 -0.00009 -0.00012 -0.00017 61 5 H 1S 0.00023 0.00030 -0.00023 0.03509 -0.01343 62 2S -0.00081 0.00016 0.00072 0.00135 -0.00329 63 6 H 1S -0.00023 0.00030 0.00023 0.03509 -0.01342 64 2S 0.00081 0.00016 -0.00072 0.00135 -0.00330 65 7 C 1S 0.00004 -0.05690 0.04429 -0.02681 -0.12477 66 2S 0.00045 0.10585 -0.08757 0.05410 0.25049 67 2PX 0.00004 -0.06059 0.06091 0.01601 -0.01406 68 2PY -0.00002 0.00988 0.04421 0.01434 0.07148 69 2PZ 0.00021 0.04382 -0.04508 0.00182 -0.00956 70 3S -0.00396 0.03633 0.01199 0.03268 0.17748 71 3PX 0.00118 0.00348 -0.02172 0.00391 0.00558 72 3PY -0.00190 -0.00075 0.01849 0.00248 0.00957 73 3PZ -0.00246 -0.00645 0.03019 -0.00113 -0.00914 74 4XX 0.00010 0.00423 -0.00654 -0.00158 -0.01042 75 4YY 0.00008 -0.00144 0.00863 0.00141 0.00622 76 4ZZ 0.00014 -0.00125 -0.00163 -0.00085 -0.00708 77 4XY -0.00005 0.00187 -0.00594 -0.00004 -0.00010 78 4XZ 0.00010 -0.01133 0.01154 0.00049 -0.00503 79 4YZ -0.00003 -0.00107 0.00373 0.00095 0.00227 80 8 C 1S -0.00004 -0.05689 -0.04431 -0.02681 -0.12476 81 2S -0.00045 0.10583 0.08761 0.05410 0.25047 82 2PX -0.00004 -0.06057 -0.06093 0.01602 -0.01405 83 2PY -0.00002 -0.00990 0.04420 -0.01434 -0.07149 84 2PZ -0.00021 0.04380 0.04510 0.00181 -0.00958 85 3S 0.00396 0.03633 -0.01198 0.03269 0.17749 86 3PX -0.00118 0.00348 0.02172 0.00391 0.00558 87 3PY -0.00190 0.00075 0.01849 -0.00248 -0.00958 88 3PZ 0.00246 -0.00644 -0.03019 -0.00113 -0.00913 89 4XX -0.00010 0.00423 0.00654 -0.00158 -0.01042 90 4YY -0.00008 -0.00144 -0.00863 0.00141 0.00622 91 4ZZ -0.00014 -0.00125 0.00163 -0.00085 -0.00708 92 4XY -0.00005 -0.00187 -0.00593 0.00004 0.00010 93 4XZ -0.00010 -0.01133 -0.01154 0.00050 -0.00502 94 4YZ -0.00003 0.00107 0.00372 -0.00095 -0.00227 95 9 H 1S 0.00000 0.00048 0.00093 0.03695 -0.00500 96 2S 0.00002 0.00152 0.00347 0.00571 -0.00021 97 10 H 1S 0.00000 0.00048 -0.00093 0.03694 -0.00502 98 2S -0.00002 0.00151 -0.00347 0.00571 -0.00021 99 11 C 1S 0.00018 -0.00040 -0.00005 -0.08489 0.01846 100 2S -0.00018 0.00221 0.00292 0.15996 -0.03375 101 2PX 0.00002 -0.00109 -0.00093 -0.02348 -0.00351 102 2PY -0.00003 -0.00046 0.00039 -0.01949 0.00480 103 2PZ -0.00008 0.00003 -0.00028 0.02743 -0.00888 104 3S 0.00038 -0.00405 -0.01573 0.11480 -0.03570 105 3PX 0.00003 0.00390 0.00929 -0.00065 0.00035 106 3PY -0.00019 0.00020 0.00660 -0.00433 -0.00035 107 3PZ 0.00036 -0.00046 -0.00061 0.00302 -0.00252 108 4XX -0.00003 0.00020 0.00022 -0.00109 0.00101 109 4YY -0.00004 0.00035 0.00009 0.00166 -0.00025 110 4ZZ -0.00003 0.00026 0.00026 -0.00009 0.00003 111 4XY 0.00000 0.00015 -0.00021 -0.00007 0.00015 112 4XZ -0.00004 0.00011 0.00020 -0.00254 0.00072 113 4YZ -0.00005 0.00008 0.00013 0.00008 0.00002 114 12 H 1S 0.00000 0.00076 0.00135 0.03970 -0.00617 115 2S 0.00024 0.00037 0.00023 0.00578 0.00201 116 13 H 1S -0.00006 0.00003 -0.00006 0.04104 -0.01213 117 2S -0.00009 -0.00141 -0.00301 0.00393 -0.00228 118 14 C 1S -0.00018 -0.00040 0.00004 -0.08489 0.01847 119 2S 0.00018 0.00221 -0.00292 0.15996 -0.03378 120 2PX -0.00002 -0.00109 0.00093 -0.02348 -0.00350 121 2PY -0.00003 0.00046 0.00039 0.01948 -0.00478 122 2PZ 0.00008 0.00003 0.00028 0.02743 -0.00889 123 3S -0.00038 -0.00405 0.01573 0.11480 -0.03572 124 3PX -0.00003 0.00390 -0.00929 -0.00065 0.00035 125 3PY -0.00019 -0.00020 0.00659 0.00433 0.00036 126 3PZ -0.00036 -0.00046 0.00061 0.00303 -0.00252 127 4XX 0.00003 0.00020 -0.00022 -0.00109 0.00101 128 4YY 0.00004 0.00035 -0.00009 0.00166 -0.00025 129 4ZZ 0.00003 0.00026 -0.00026 -0.00009 0.00003 130 4XY 0.00000 -0.00015 -0.00021 0.00007 -0.00015 131 4XZ 0.00004 0.00011 -0.00020 -0.00254 0.00072 132 4YZ -0.00005 -0.00007 0.00013 -0.00008 -0.00002 133 15 H 1S 0.00000 0.00076 -0.00135 0.03970 -0.00618 134 2S -0.00023 0.00037 -0.00023 0.00578 0.00201 135 16 H 1S 0.00006 0.00003 0.00006 0.04104 -0.01214 136 2S 0.00009 -0.00141 0.00301 0.00393 -0.00229 137 17 H 1S 0.00014 0.01240 0.01389 0.01617 0.06953 138 2S 0.00108 -0.00543 -0.01045 0.00405 0.01114 139 18 H 1S -0.00014 0.01240 -0.01389 0.01617 0.06954 140 2S -0.00108 -0.00543 0.01045 0.00404 0.01113 141 19 O 1S -0.00001 -0.13072 0.15223 0.00874 0.01667 142 2S -0.00011 0.28296 -0.33386 -0.02045 -0.03953 143 2PX 0.00005 0.01173 -0.01915 0.02293 0.13342 144 2PY 0.00003 0.08699 -0.06063 -0.00894 -0.03454 145 2PZ 0.00005 -0.02447 0.03106 -0.00870 -0.08495 146 3S 0.00135 0.28640 -0.35988 -0.02061 -0.04325 147 3PX 0.00044 0.00340 -0.01862 0.01059 0.06055 148 3PY 0.00022 0.05252 -0.03653 -0.00389 -0.01468 149 3PZ -0.00039 -0.01121 0.02087 -0.00436 -0.03986 150 4XX 0.00007 -0.00064 -0.00054 0.00086 0.00155 151 4YY 0.00001 0.00724 0.00070 -0.00121 -0.00572 152 4ZZ 0.00001 -0.00547 0.00450 0.00058 0.00332 153 4XY 0.00003 -0.00207 -0.00029 0.00232 0.01288 154 4XZ -0.00001 -0.00670 0.00750 -0.00055 -0.00489 155 4YZ -0.00004 -0.00203 0.00255 -0.00086 -0.00752 156 20 O 1S 0.00001 -0.13068 -0.15226 0.00875 0.01667 157 2S 0.00011 0.28288 0.33393 -0.02046 -0.03954 158 2PX -0.00005 0.01174 0.01916 0.02293 0.13340 159 2PY 0.00003 -0.08696 -0.06064 0.00894 0.03455 160 2PZ -0.00005 -0.02448 -0.03108 -0.00870 -0.08492 161 3S -0.00135 0.28632 0.35996 -0.02063 -0.04327 162 3PX -0.00044 0.00340 0.01863 0.01058 0.06053 163 3PY 0.00022 -0.05251 -0.03654 0.00389 0.01469 164 3PZ 0.00039 -0.01122 -0.02089 -0.00436 -0.03985 165 4XX -0.00007 -0.00064 0.00054 0.00086 0.00156 166 4YY -0.00001 0.00724 -0.00070 -0.00121 -0.00572 167 4ZZ -0.00001 -0.00547 -0.00450 0.00058 0.00332 168 4XY 0.00003 0.00207 -0.00029 -0.00232 -0.01288 169 4XZ 0.00001 -0.00670 -0.00750 -0.00055 -0.00490 170 4YZ -0.00004 0.00203 0.00255 0.00086 0.00751 171 21 C 1S 0.00000 -0.08379 0.00000 0.01970 0.11339 172 2S 0.00000 0.16131 0.00001 -0.04074 -0.23761 173 2PX 0.00000 0.07990 0.00000 -0.00552 0.00194 174 2PY 0.00001 -0.00002 0.12924 0.00000 0.00001 175 2PZ 0.00000 -0.03329 0.00001 0.00181 -0.01809 176 3S 0.00000 0.02817 0.00000 -0.02453 -0.16898 177 3PX 0.00000 -0.01394 0.00000 0.00165 0.01305 178 3PY -0.00014 0.00000 0.00704 0.00000 0.00000 179 3PZ 0.00000 0.00247 0.00000 0.00090 -0.00529 180 4XX 0.00000 0.00385 0.00000 0.00089 0.00638 181 4YY 0.00000 0.00729 0.00000 -0.00134 -0.00340 182 4ZZ 0.00000 -0.00723 0.00000 0.00095 0.00332 183 4XY -0.00001 0.00000 0.02358 0.00000 0.00000 184 4XZ 0.00000 -0.00742 0.00000 0.00020 -0.00307 185 4YZ -0.00003 0.00000 -0.00927 0.00000 0.00000 186 22 H 1S 0.00000 0.02480 0.00000 -0.01054 -0.07838 187 2S 0.00000 0.00199 0.00000 -0.00171 -0.01785 188 23 H 1S 0.00000 0.02520 0.00000 -0.00996 -0.06749 189 2S 0.00000 -0.00134 0.00000 -0.00091 -0.01200 16 17 18 19 20 O O O O O Eigenvalues -- -0.73599 -0.72996 -0.64146 -0.60784 -0.60673 1 1 C 1S 0.10624 0.06309 0.00399 0.04860 -0.06544 2 2S -0.20696 -0.12601 -0.00651 -0.09876 0.13397 3 2PX 0.01158 -0.01281 -0.00191 -0.00079 -0.01189 4 2PY -0.05073 0.07622 -0.00060 0.06234 -0.08451 5 2PZ 0.00457 0.05688 -0.00505 0.01331 -0.01738 6 3S -0.14962 -0.07283 -0.00991 -0.07499 0.09811 7 3PX 0.00587 0.00392 -0.00028 0.00552 -0.00889 8 3PY -0.00539 0.02419 -0.00030 0.01626 -0.03210 9 3PZ -0.00676 -0.00813 0.00103 -0.01112 0.01445 10 4XX 0.00960 0.00421 0.00026 0.00311 -0.00407 11 4YY -0.00497 0.00622 0.00001 0.00454 -0.00598 12 4ZZ 0.00307 -0.00540 0.00065 -0.00167 0.00265 13 4XY -0.00112 0.00055 -0.00029 -0.00066 0.00208 14 4XZ 0.00307 0.00449 0.00056 0.00307 -0.00269 15 4YZ 0.00148 -0.00491 -0.00012 -0.00014 0.00035 16 2 C 1S 0.01112 0.12383 -0.00143 0.02145 -0.01659 17 2S -0.02090 -0.24000 0.00196 -0.04455 0.03355 18 2PX 0.05209 -0.01856 -0.00996 0.01776 -0.08364 19 2PY -0.01249 -0.00644 0.00240 -0.00627 0.00166 20 2PZ -0.09373 -0.01780 -0.00585 -0.08420 0.12390 21 3S -0.02240 -0.20502 0.00935 -0.04155 0.03917 22 3PX 0.00829 -0.00453 -0.00047 0.00307 -0.02181 23 3PY -0.00893 -0.00114 0.00471 0.00029 0.00144 24 3PZ -0.01618 0.00331 -0.00342 -0.02826 0.02681 25 4XX 0.00488 0.00730 -0.00114 0.00469 -0.00496 26 4YY -0.00068 0.00066 0.00007 -0.00062 0.00076 27 4ZZ -0.00140 0.00084 -0.00008 -0.00135 0.00140 28 4XY 0.00412 -0.00285 -0.00111 0.00091 -0.00273 29 4XZ -0.00257 0.00642 0.00095 0.00055 0.00399 30 4YZ -0.00795 -0.00210 -0.00051 -0.00336 0.00517 31 3 C 1S 0.01110 -0.12384 -0.00142 -0.02142 0.01660 32 2S -0.02086 0.24001 0.00194 0.04449 -0.03359 33 2PX 0.05209 0.01855 -0.00996 -0.01775 0.08365 34 2PY 0.01252 -0.00644 -0.00241 -0.00633 0.00169 35 2PZ -0.09373 0.01782 -0.00587 0.08421 -0.12389 36 3S -0.02237 0.20503 0.00934 0.04149 -0.03920 37 3PX 0.00829 0.00453 -0.00047 -0.00307 0.02181 38 3PY 0.00893 -0.00113 -0.00471 0.00027 0.00144 39 3PZ -0.01618 -0.00331 -0.00343 0.02827 -0.02681 40 4XX 0.00488 -0.00730 -0.00114 -0.00469 0.00496 41 4YY -0.00068 -0.00066 0.00007 0.00062 -0.00077 42 4ZZ -0.00140 -0.00084 -0.00008 0.00135 -0.00140 43 4XY -0.00412 -0.00285 0.00111 0.00091 -0.00273 44 4XZ -0.00257 -0.00642 0.00095 -0.00055 -0.00399 45 4YZ 0.00795 -0.00210 0.00051 -0.00336 0.00517 46 4 C 1S 0.10623 -0.06310 0.00401 -0.04862 0.06542 47 2S -0.20694 0.12604 -0.00653 0.09880 -0.13394 48 2PX 0.01158 0.01279 -0.00191 0.00077 0.01191 49 2PY 0.05074 0.07623 0.00059 0.06230 -0.08454 50 2PZ 0.00457 -0.05687 -0.00505 -0.01327 0.01738 51 3S -0.14961 0.07285 -0.00994 0.07502 -0.09809 52 3PX 0.00587 -0.00393 -0.00028 -0.00553 0.00890 53 3PY 0.00540 0.02419 0.00029 0.01625 -0.03210 54 3PZ -0.00675 0.00813 0.00103 0.01113 -0.01445 55 4XX 0.00960 -0.00422 0.00026 -0.00311 0.00407 56 4YY -0.00497 -0.00622 0.00001 -0.00454 0.00598 57 4ZZ 0.00307 0.00540 0.00065 0.00167 -0.00265 58 4XY 0.00112 0.00055 0.00029 -0.00066 0.00208 59 4XZ 0.00307 -0.00449 0.00056 -0.00307 0.00269 60 4YZ -0.00148 -0.00491 0.00012 -0.00014 0.00035 61 5 H 1S -0.06029 -0.03698 -0.00390 -0.04643 0.06513 62 2S -0.01165 -0.00208 -0.00250 -0.01548 0.01996 63 6 H 1S -0.06029 0.03699 -0.00391 0.04644 -0.06512 64 2S -0.01165 0.00209 -0.00250 0.01548 -0.01996 65 7 C 1S 0.00173 0.01292 -0.06742 -0.08879 -0.04466 66 2S -0.00363 -0.02434 0.13622 0.18350 0.09060 67 2PX 0.00412 -0.01291 0.08223 -0.01902 -0.01226 68 2PY -0.00112 0.01631 0.14876 -0.12273 -0.06131 69 2PZ -0.00958 -0.00039 -0.09433 -0.01959 0.00101 70 3S -0.00389 -0.03257 0.12084 0.17229 0.10119 71 3PX 0.00272 -0.00415 0.02111 0.01075 -0.00589 72 3PY 0.00055 -0.00231 0.02743 -0.02806 -0.01121 73 3PZ -0.00227 -0.00541 -0.02662 -0.01792 0.00348 74 4XX 0.00085 0.00051 -0.01165 -0.00358 -0.00222 75 4YY -0.00005 0.00106 0.00676 -0.00672 -0.00337 76 4ZZ -0.00072 0.00001 -0.00618 0.00038 0.00093 77 4XY -0.00031 0.00114 -0.00834 0.00291 0.00202 78 4XZ -0.00024 -0.00031 0.00654 -0.00768 -0.00380 79 4YZ 0.00009 -0.00037 0.00738 0.00401 0.00079 80 8 C 1S 0.00173 -0.01290 -0.06745 0.08878 0.04466 81 2S -0.00363 0.02429 0.13627 -0.18347 -0.09060 82 2PX 0.00413 0.01293 0.08223 0.01903 0.01226 83 2PY 0.00113 0.01632 -0.14870 -0.12278 -0.06130 84 2PZ -0.00958 0.00039 -0.09436 0.01955 -0.00104 85 3S -0.00388 0.03254 0.12089 -0.17227 -0.10120 86 3PX 0.00273 0.00415 0.02111 -0.01075 0.00589 87 3PY -0.00055 -0.00231 -0.02742 -0.02807 -0.01121 88 3PZ -0.00227 0.00542 -0.02663 0.01791 -0.00349 89 4XX 0.00085 -0.00050 -0.01165 0.00358 0.00222 90 4YY -0.00005 -0.00106 0.00676 0.00672 0.00337 91 4ZZ -0.00072 -0.00001 -0.00619 -0.00038 -0.00093 92 4XY 0.00031 0.00114 0.00834 0.00291 0.00202 93 4XZ -0.00024 0.00031 0.00654 0.00768 0.00380 94 4YZ -0.00009 -0.00037 -0.00738 0.00401 0.00079 95 9 H 1S -0.00368 0.07762 0.00069 0.01221 -0.01479 96 2S -0.00328 0.01834 -0.00130 0.00154 -0.00673 97 10 H 1S -0.00369 -0.07761 0.00070 -0.01225 0.01476 98 2S -0.00328 -0.01834 -0.00130 -0.00156 0.00672 99 11 C 1S -0.11055 -0.06888 0.01225 0.03344 -0.09300 100 2S 0.21313 0.13377 -0.02382 -0.06900 0.18806 101 2PX 0.01341 -0.02895 -0.01597 -0.00116 0.01618 102 2PY -0.03717 0.06702 0.00485 -0.03419 0.09435 103 2PZ -0.01863 0.03269 -0.00232 0.01853 -0.01660 104 3S 0.18638 0.10957 -0.02841 -0.05894 0.18497 105 3PX 0.00303 -0.00106 -0.00733 -0.00236 0.00799 106 3PY -0.00609 0.01619 -0.00043 -0.01299 0.03919 107 3PZ -0.00681 0.00447 -0.00204 0.00842 -0.01283 108 4XX -0.00239 0.00240 0.00072 -0.00102 0.00229 109 4YY 0.00371 -0.00769 -0.00059 0.00376 -0.01032 110 4ZZ -0.00301 0.00348 0.00014 -0.00023 0.00213 111 4XY 0.00093 -0.00241 -0.00011 -0.00031 0.00187 112 4XZ 0.00305 -0.00336 -0.00019 -0.00216 0.00333 113 4YZ -0.00125 0.00256 0.00009 0.00181 -0.00215 114 12 H 1S 0.07128 0.04459 -0.00441 -0.04071 0.09026 115 2S 0.01671 0.01068 0.00244 -0.01917 0.03183 116 13 H 1S 0.06862 0.04510 -0.01416 -0.02897 0.08867 117 2S 0.01635 0.00859 -0.00340 -0.01111 0.03291 118 14 C 1S -0.11054 0.06890 0.01226 -0.03345 0.09299 119 2S 0.21311 -0.13380 -0.02383 0.06903 -0.18804 120 2PX 0.01340 0.02893 -0.01597 0.00120 -0.01619 121 2PY 0.03718 0.06703 -0.00486 -0.03416 0.09436 122 2PZ -0.01862 -0.03267 -0.00231 -0.01855 0.01661 123 3S 0.18637 -0.10959 -0.02841 0.05897 -0.18495 124 3PX 0.00303 0.00106 -0.00733 0.00237 -0.00800 125 3PY 0.00610 0.01619 0.00043 -0.01298 0.03919 126 3PZ -0.00680 -0.00447 -0.00204 -0.00843 0.01284 127 4XX -0.00239 -0.00240 0.00072 0.00102 -0.00229 128 4YY 0.00372 0.00769 -0.00059 -0.00376 0.01032 129 4ZZ -0.00301 -0.00347 0.00014 0.00023 -0.00214 130 4XY -0.00093 -0.00242 0.00011 -0.00031 0.00186 131 4XZ 0.00305 0.00336 -0.00019 0.00216 -0.00333 132 4YZ 0.00125 0.00256 -0.00009 0.00181 -0.00215 133 15 H 1S 0.07127 -0.04460 -0.00442 0.04072 -0.09025 134 2S 0.01671 -0.01068 0.00244 0.01918 -0.03182 135 16 H 1S 0.06861 -0.04511 -0.01416 0.02899 -0.08866 136 2S 0.01635 -0.00859 -0.00340 0.01112 -0.03290 137 17 H 1S 0.00350 0.01586 0.05609 -0.11157 -0.04920 138 2S 0.00438 0.00904 0.01647 -0.04736 -0.01832 139 18 H 1S 0.00349 -0.01588 0.05606 0.11158 0.04920 140 2S 0.00438 -0.00904 0.01646 0.04736 0.01833 141 19 O 1S -0.00040 -0.00740 0.06976 0.02370 0.01380 142 2S 0.00086 0.01624 -0.16285 -0.05601 -0.03054 143 2PX -0.01219 -0.01779 -0.10124 0.18296 0.10660 144 2PY 0.00340 0.00707 0.08531 -0.05078 -0.02937 145 2PZ 0.00148 0.00515 0.04051 -0.12325 -0.06153 146 3S 0.00176 0.02375 -0.21439 -0.06874 -0.05001 147 3PX -0.00513 -0.00622 -0.04074 0.08568 0.04697 148 3PY 0.00171 0.00426 0.04646 -0.02026 -0.01404 149 3PZ -0.00045 0.00187 0.01497 -0.06015 -0.02612 150 4XX -0.00036 -0.00108 0.00066 0.00273 0.00226 151 4YY 0.00037 0.00002 0.00964 -0.00354 -0.00124 152 4ZZ -0.00016 -0.00088 -0.00013 0.00463 0.00291 153 4XY -0.00100 -0.00056 -0.00459 0.00759 0.00414 154 4XZ -0.00018 0.00028 -0.00005 -0.00575 -0.00242 155 4YZ 0.00006 0.00012 -0.00057 -0.00443 -0.00205 156 20 O 1S -0.00040 0.00740 0.06977 -0.02368 -0.01380 157 2S 0.00086 -0.01624 -0.16286 0.05596 0.03054 158 2PX -0.01218 0.01776 -0.10118 -0.18298 -0.10661 159 2PY -0.00340 0.00706 -0.08530 -0.05084 -0.02938 160 2PZ 0.00147 -0.00512 0.04046 0.12323 0.06152 161 3S 0.00176 -0.02376 -0.21440 0.06869 0.05001 162 3PX -0.00513 0.00620 -0.04071 -0.08569 -0.04697 163 3PY -0.00170 0.00426 -0.04646 -0.02029 -0.01404 164 3PZ -0.00045 -0.00186 0.01495 0.06014 0.02612 165 4XX -0.00036 0.00108 0.00066 -0.00274 -0.00227 166 4YY 0.00037 -0.00002 0.00964 0.00355 0.00124 167 4ZZ -0.00016 0.00088 -0.00013 -0.00463 -0.00291 168 4XY 0.00100 -0.00056 0.00459 0.00759 0.00414 169 4XZ -0.00018 -0.00028 -0.00005 0.00575 0.00242 170 4YZ -0.00006 0.00011 0.00058 -0.00442 -0.00205 171 21 C 1S -0.00900 -0.00001 -0.12550 -0.00002 -0.00001 172 2S 0.01867 0.00003 0.26474 0.00004 0.00001 173 2PX -0.00190 0.00000 -0.08973 -0.00003 -0.00001 174 2PY 0.00000 -0.02033 -0.00003 0.19082 0.10827 175 2PZ -0.00114 0.00000 0.02931 0.00003 0.00001 176 3S 0.01546 0.00002 0.24903 0.00004 0.00001 177 3PX -0.00179 0.00000 -0.03687 -0.00001 0.00000 178 3PY 0.00000 -0.00352 -0.00001 0.04999 0.02928 179 3PZ -0.00125 0.00000 0.00544 0.00001 0.00000 180 4XX -0.00069 0.00000 -0.00319 0.00000 0.00000 181 4YY 0.00018 0.00000 -0.01318 0.00000 0.00000 182 4ZZ -0.00018 0.00000 0.00619 0.00000 0.00000 183 4XY 0.00000 -0.00231 0.00000 0.01683 0.00938 184 4XZ -0.00006 0.00000 0.00308 0.00000 0.00000 185 4YZ 0.00000 0.00097 0.00000 -0.00346 -0.00232 186 22 H 1S 0.00563 0.00001 0.11789 0.00003 0.00001 187 2S 0.00069 0.00000 0.03919 0.00001 0.00000 188 23 H 1S 0.00636 0.00001 0.11737 0.00002 0.00001 189 2S 0.00074 0.00000 0.03372 0.00001 0.00000 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 0.05846 -0.01090 0.00234 0.00660 -0.06596 2 2S -0.11866 0.02267 -0.00931 -0.01361 0.13624 3 2PX 0.03664 -0.02237 -0.04197 0.07602 -0.03237 4 2PY -0.13438 0.00829 -0.00189 0.11885 -0.07723 5 2PZ -0.11862 0.05577 0.02876 -0.16565 0.08020 6 3S -0.10308 0.02504 0.00651 -0.02695 0.13748 7 3PX 0.01229 -0.00564 -0.02136 0.02401 -0.01680 8 3PY -0.03056 0.00051 0.00086 0.03599 -0.02320 9 3PZ -0.03833 0.01641 0.00091 -0.05351 0.04403 10 4XX 0.00366 -0.00084 0.00057 -0.00135 -0.00217 11 4YY -0.00402 0.00138 -0.00071 -0.00242 -0.00884 12 4ZZ 0.00655 -0.00074 0.00002 -0.00106 0.00152 13 4XY -0.00205 0.00071 -0.00017 -0.00033 0.00428 14 4XZ 0.00165 -0.00084 0.00177 0.00235 -0.00539 15 4YZ 0.00623 -0.00036 -0.00056 -0.00215 -0.01050 16 2 C 1S -0.10190 0.01259 0.00927 0.00853 0.05985 17 2S 0.20613 -0.02572 -0.01814 -0.01988 -0.12489 18 2PX -0.00489 -0.01667 -0.03678 0.02440 0.01421 19 2PY -0.07417 -0.02936 -0.01531 0.20214 0.11459 20 2PZ -0.00523 -0.01584 -0.02812 0.00687 0.07700 21 3S 0.19023 -0.02821 -0.02649 -0.02166 -0.13288 22 3PX -0.00390 -0.01203 -0.01482 0.00523 0.00404 23 3PY -0.03168 -0.01518 -0.01009 0.08185 0.04978 24 3PZ -0.01129 -0.00518 -0.00890 -0.00106 0.04249 25 4XX -0.00824 0.00105 0.00208 0.00014 0.00658 26 4YY 0.00398 -0.00035 0.00028 -0.00246 -0.01070 27 4ZZ -0.00814 0.00227 0.00144 -0.00172 0.01136 28 4XY 0.00177 -0.00014 -0.00179 0.00068 -0.00208 29 4XZ 0.00022 0.00117 0.00056 0.00175 -0.00372 30 4YZ -0.00057 -0.00018 -0.00157 0.00197 0.00131 31 3 C 1S -0.10191 0.01259 0.00927 0.00853 -0.05985 32 2S 0.20613 -0.02571 -0.01813 -0.01988 0.12489 33 2PX -0.00490 -0.01669 -0.03679 0.02444 -0.01423 34 2PY 0.07417 0.02937 0.01532 -0.20212 0.11461 35 2PZ -0.00522 -0.01583 -0.02813 0.00682 -0.07697 36 3S 0.19023 -0.02821 -0.02650 -0.02165 0.13288 37 3PX -0.00391 -0.01203 -0.01483 0.00525 -0.00405 38 3PY 0.03168 0.01518 0.01010 -0.08185 0.04979 39 3PZ -0.01128 -0.00518 -0.00890 -0.00108 -0.04248 40 4XX -0.00824 0.00105 0.00208 0.00014 -0.00658 41 4YY 0.00398 -0.00035 0.00028 -0.00246 0.01070 42 4ZZ -0.00814 0.00227 0.00144 -0.00172 -0.01136 43 4XY -0.00177 0.00014 0.00179 -0.00068 -0.00208 44 4XZ 0.00022 0.00117 0.00057 0.00175 0.00372 45 4YZ 0.00058 0.00018 0.00157 -0.00197 0.00131 46 4 C 1S 0.05845 -0.01090 0.00235 0.00660 0.06596 47 2S -0.11866 0.02267 -0.00933 -0.01362 -0.13624 48 2PX 0.03661 -0.02237 -0.04197 0.07604 0.03238 49 2PY 0.13441 -0.00830 0.00186 -0.11881 -0.07720 50 2PZ -0.11859 0.05576 0.02876 -0.16568 -0.08021 51 3S -0.10307 0.02504 0.00650 -0.02697 -0.13748 52 3PX 0.01229 -0.00563 -0.02135 0.02401 0.01681 53 3PY 0.03057 -0.00052 -0.00087 -0.03598 -0.02318 54 3PZ -0.03833 0.01641 0.00090 -0.05352 -0.04403 55 4XX 0.00366 -0.00084 0.00057 -0.00135 0.00217 56 4YY -0.00402 0.00138 -0.00071 -0.00242 0.00884 57 4ZZ 0.00655 -0.00074 0.00002 -0.00106 -0.00152 58 4XY 0.00205 -0.00071 0.00017 0.00033 0.00428 59 4XZ 0.00165 -0.00084 0.00177 0.00235 0.00539 60 4YZ -0.00623 0.00036 0.00056 0.00215 -0.01050 61 5 H 1S -0.06479 0.03302 0.01754 -0.11823 0.12807 62 2S -0.02650 0.02056 0.01784 -0.07923 0.07733 63 6 H 1S -0.06479 0.03302 0.01753 -0.11824 -0.12807 64 2S -0.02650 0.02056 0.01784 -0.07923 -0.07733 65 7 C 1S 0.00879 -0.00678 -0.00869 -0.00118 0.00727 66 2S -0.01982 0.01227 0.01791 0.00210 -0.01256 67 2PX 0.02564 0.05775 0.10463 0.03583 -0.06160 68 2PY -0.04661 -0.21741 0.01421 -0.03979 0.01432 69 2PZ 0.00647 -0.13486 0.04024 -0.00953 0.05800 70 3S -0.00689 0.03720 0.02141 0.00964 -0.02717 71 3PX 0.00770 0.01420 0.04871 0.01171 -0.01897 72 3PY -0.01444 -0.06584 0.00112 -0.01151 0.00622 73 3PZ 0.00646 -0.04205 0.02314 -0.00170 0.00903 74 4XX 0.00114 -0.00186 -0.01051 -0.00124 0.00206 75 4YY -0.00083 0.00060 0.00177 -0.00001 -0.00143 76 4ZZ 0.00139 0.00465 0.00661 0.00176 -0.00026 77 4XY 0.00099 0.00713 0.00139 0.00408 0.00666 78 4XZ 0.00105 0.00106 -0.00002 0.00121 -0.00358 79 4YZ -0.00077 -0.00165 0.00161 0.00003 -0.00633 80 8 C 1S 0.00883 -0.00677 -0.00869 -0.00119 -0.00727 81 2S -0.01989 0.01227 0.01791 0.00210 0.01256 82 2PX 0.02566 0.05775 0.10464 0.03582 0.06157 83 2PY 0.04656 0.21744 -0.01422 0.03980 0.01433 84 2PZ 0.00649 -0.13480 0.04022 -0.00951 -0.05794 85 3S -0.00696 0.03719 0.02143 0.00965 0.02717 86 3PX 0.00770 0.01421 0.04871 0.01171 0.01896 87 3PY 0.01443 0.06585 -0.00113 0.01151 0.00623 88 3PZ 0.00648 -0.04205 0.02314 -0.00170 -0.00901 89 4XX 0.00114 -0.00186 -0.01051 -0.00124 -0.00206 90 4YY -0.00083 0.00059 0.00177 -0.00001 0.00143 91 4ZZ 0.00139 0.00466 0.00661 0.00176 0.00026 92 4XY -0.00099 -0.00714 -0.00139 -0.00409 0.00666 93 4XZ 0.00105 0.00106 -0.00002 0.00121 0.00358 94 4YZ 0.00077 0.00165 -0.00162 -0.00003 -0.00633 95 9 H 1S 0.11594 0.00615 0.00305 -0.11393 0.12717 96 2S 0.05033 0.00714 0.00333 -0.06906 0.07882 97 10 H 1S 0.11594 0.00613 0.00305 -0.11394 -0.12717 98 2S 0.05033 0.00713 0.00333 -0.06907 -0.07882 99 11 C 1S 0.04069 -0.00054 -0.00047 0.00253 0.04567 100 2S -0.08231 0.00015 0.00105 -0.00468 -0.09251 101 2PX -0.08042 -0.00161 -0.02414 -0.06514 -0.09589 102 2PY 0.07813 0.00868 0.00004 -0.09214 -0.03430 103 2PZ 0.07205 -0.04597 -0.05558 0.09589 0.05654 104 3S -0.08200 0.00457 0.00441 -0.01097 -0.12495 105 3PX -0.02709 -0.00453 -0.01237 -0.02438 -0.04122 106 3PY 0.02368 0.00287 0.00031 -0.03841 -0.01622 107 3PZ 0.02414 -0.01339 -0.02143 0.03972 0.02436 108 4XX 0.00245 -0.00037 -0.00037 -0.00149 -0.00161 109 4YY -0.00227 -0.00009 0.00018 -0.00060 0.00757 110 4ZZ 0.00247 0.00067 0.00084 -0.00205 -0.00237 111 4XY -0.00348 -0.00053 -0.00023 0.00268 -0.00844 112 4XZ -0.00679 0.00193 0.00111 -0.00537 -0.00582 113 4YZ 0.00369 -0.00018 -0.00057 -0.00210 0.00562 114 12 H 1S -0.04273 0.02717 0.03106 -0.06039 -0.06687 115 2S -0.02046 0.02295 0.02213 -0.03980 -0.03628 116 13 H 1S -0.04628 -0.00435 -0.01780 -0.03888 -0.08954 117 2S -0.02120 -0.00131 -0.01086 -0.02752 -0.05310 118 14 C 1S 0.04070 -0.00055 -0.00047 0.00253 -0.04567 119 2S -0.08232 0.00017 0.00106 -0.00467 0.09251 120 2PX -0.08041 -0.00160 -0.02413 -0.06516 0.09593 121 2PY -0.07816 -0.00869 -0.00004 0.09210 -0.03427 122 2PZ 0.07204 -0.04597 -0.05558 0.09590 -0.05652 123 3S -0.08201 0.00459 0.00442 -0.01096 0.12495 124 3PX -0.02709 -0.00453 -0.01236 -0.02439 0.04123 125 3PY -0.02369 -0.00287 -0.00031 0.03840 -0.01620 126 3PZ 0.02413 -0.01340 -0.02143 0.03973 -0.02435 127 4XX 0.00245 -0.00037 -0.00037 -0.00148 0.00162 128 4YY -0.00226 -0.00009 0.00018 -0.00060 -0.00757 129 4ZZ 0.00247 0.00067 0.00084 -0.00205 0.00237 130 4XY 0.00348 0.00053 0.00023 -0.00268 -0.00844 131 4XZ -0.00679 0.00193 0.00111 -0.00538 0.00582 132 4YZ -0.00369 0.00018 0.00057 0.00210 0.00562 133 15 H 1S -0.04273 0.02717 0.03106 -0.06039 0.06686 134 2S -0.02045 0.02295 0.02213 -0.03980 0.03627 135 16 H 1S -0.04629 -0.00434 -0.01779 -0.03887 0.08955 136 2S -0.02120 -0.00130 -0.01086 -0.02751 0.05311 137 17 H 1S 0.00731 0.12868 0.00789 0.01869 0.05126 138 2S 0.00509 0.08379 0.00862 0.00894 0.04018 139 18 H 1S 0.00736 0.12868 0.00788 0.01869 -0.05129 140 2S 0.00511 0.08380 0.00862 0.00894 -0.04020 141 19 O 1S -0.00714 -0.03099 -0.01201 -0.01354 -0.00506 142 2S 0.01759 0.07135 0.02257 0.03028 0.01041 143 2PX -0.00048 -0.02472 0.07652 0.00499 0.09819 144 2PY -0.02709 -0.20564 -0.02753 -0.06724 -0.01473 145 2PZ 0.01268 -0.03922 0.21119 0.02036 -0.04801 146 3S 0.01960 0.10268 0.05791 0.05108 0.02820 147 3PX -0.00317 -0.02180 0.04777 -0.00033 0.05228 148 3PY -0.01601 -0.12146 -0.01153 -0.03848 -0.00480 149 3PZ 0.00769 -0.01900 0.11917 0.01123 -0.02385 150 4XX 0.00185 0.00787 0.00095 0.00238 -0.00099 151 4YY -0.00183 -0.01783 -0.00217 -0.00564 -0.00138 152 4ZZ 0.00042 0.00773 -0.00410 0.00093 -0.00028 153 4XY -0.00171 -0.00925 0.00574 -0.00109 0.00433 154 4XZ -0.00006 -0.00312 -0.00350 -0.00141 -0.00055 155 4YZ 0.00200 0.00441 0.01510 0.00349 -0.00187 156 20 O 1S -0.00715 -0.03099 -0.01201 -0.01354 0.00507 157 2S 0.01761 0.07135 0.02256 0.03027 -0.01044 158 2PX -0.00056 -0.02470 0.07647 0.00501 -0.09814 159 2PY 0.02707 0.20563 0.02747 0.06723 -0.01475 160 2PZ 0.01274 -0.03918 0.21117 0.02035 0.04796 161 3S 0.01962 0.10269 0.05789 0.05108 -0.02824 162 3PX -0.00320 -0.02179 0.04774 -0.00032 -0.05226 163 3PY 0.01599 0.12145 0.01150 0.03847 -0.00481 164 3PZ 0.00773 -0.01898 0.11916 0.01122 0.02383 165 4XX 0.00184 0.00787 0.00095 0.00238 0.00100 166 4YY -0.00183 -0.01783 -0.00217 -0.00563 0.00138 167 4ZZ 0.00041 0.00772 -0.00411 0.00093 0.00028 168 4XY 0.00171 0.00925 -0.00574 0.00109 0.00433 169 4XZ -0.00005 -0.00311 -0.00350 -0.00141 0.00056 170 4YZ -0.00200 -0.00442 -0.01510 -0.00349 -0.00187 171 21 C 1S -0.00169 -0.00800 0.00616 0.00293 -0.00001 172 2S 0.00472 0.01625 -0.01169 -0.00568 0.00001 173 2PX -0.01516 -0.20376 0.11762 -0.04155 -0.00004 174 2PY 0.00004 -0.00002 -0.00002 -0.00002 0.09020 175 2PZ 0.01694 0.04305 0.34136 0.05979 0.00001 176 3S 0.00453 0.03588 -0.02017 -0.00546 0.00002 177 3PX -0.00585 -0.06427 0.04599 -0.01732 -0.00001 178 3PY 0.00001 -0.00001 -0.00001 -0.00001 0.03621 179 3PZ 0.00686 0.01506 0.14605 0.02871 0.00000 180 4XX -0.00153 -0.01013 -0.00514 -0.00337 0.00000 181 4YY 0.00064 -0.00082 0.00162 0.00071 0.00000 182 4ZZ 0.00033 0.00858 0.00265 0.00255 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00457 184 4XZ 0.00153 0.01017 -0.00345 0.00243 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00103 186 22 H 1S 0.00991 0.05255 0.14690 0.03193 0.00001 187 2S 0.00325 0.03540 0.09047 0.01695 0.00001 188 23 H 1S 0.00258 0.07563 -0.15173 -0.00258 0.00002 189 2S 0.00192 0.05463 -0.09215 0.00222 0.00002 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 0.00263 0.02760 -0.00239 -0.00474 -0.00868 2 2S -0.00831 -0.05881 0.00483 0.00976 0.02299 3 2PX 0.02553 0.02539 0.03926 0.00436 0.08808 4 2PY -0.06127 0.03368 -0.00963 -0.19368 0.01387 5 2PZ -0.00837 -0.04836 0.01797 -0.17670 -0.17988 6 3S -0.00202 -0.06823 0.00678 0.01262 0.02900 7 3PX 0.01168 0.00263 0.02087 -0.00357 0.02637 8 3PY -0.01739 0.01953 -0.00208 -0.07021 0.03523 9 3PZ -0.00441 -0.01266 0.00707 -0.06671 -0.03024 10 4XX 0.00169 0.00125 0.00048 -0.00201 -0.00013 11 4YY -0.00107 0.00304 0.00031 -0.00312 -0.00826 12 4ZZ -0.00047 -0.00162 -0.00092 0.00348 0.00319 13 4XY 0.00028 -0.00283 0.00067 -0.00043 -0.00635 14 4XZ -0.00142 0.00227 -0.00273 0.00258 -0.00098 15 4YZ 0.00131 0.00534 0.00071 0.00129 0.01035 16 2 C 1S 0.00339 -0.02704 -0.00009 0.00108 -0.02666 17 2S -0.00575 0.05462 0.00167 -0.00168 0.06290 18 2PX 0.02755 0.02379 0.05386 -0.14844 0.07349 19 2PY -0.02372 -0.03899 -0.01059 0.03111 0.26786 20 2PZ 0.07848 -0.01320 0.02384 0.23028 0.06607 21 3S -0.01476 0.07821 -0.00695 -0.01373 0.08740 22 3PX 0.01388 0.00671 0.02310 -0.05358 0.02930 23 3PY -0.01521 -0.00840 -0.01334 0.00546 0.07494 24 3PZ 0.03216 0.00701 0.01205 0.07457 0.03260 25 4XX 0.00548 -0.00123 0.00108 -0.00397 0.00213 26 4YY -0.00120 0.00413 -0.00074 -0.00235 -0.01220 27 4ZZ -0.00333 -0.00633 -0.00121 0.00492 0.00201 28 4XY 0.00146 0.00120 0.00204 -0.00381 0.00061 29 4XZ 0.00088 -0.00059 0.00109 0.00210 -0.00072 30 4YZ 0.00202 0.00009 0.00107 0.00380 0.00285 31 3 C 1S 0.00338 0.02705 -0.00008 0.00108 0.02666 32 2S -0.00573 -0.05463 0.00164 -0.00168 -0.06291 33 2PX 0.02756 -0.02378 0.05384 -0.14843 -0.07356 34 2PY 0.02373 -0.03899 0.01061 -0.03120 0.26785 35 2PZ 0.07849 0.01321 0.02383 0.23027 -0.06600 36 3S -0.01473 -0.07822 -0.00700 -0.01373 -0.08740 37 3PX 0.01388 -0.00670 0.02309 -0.05358 -0.02932 38 3PY 0.01521 -0.00840 0.01335 -0.00548 0.07495 39 3PZ 0.03217 -0.00701 0.01204 0.07457 -0.03258 40 4XX 0.00549 0.00124 0.00108 -0.00397 -0.00213 41 4YY -0.00119 -0.00413 -0.00074 -0.00235 0.01220 42 4ZZ -0.00334 0.00633 -0.00121 0.00492 -0.00201 43 4XY -0.00146 0.00120 -0.00204 0.00381 0.00061 44 4XZ 0.00088 0.00060 0.00109 0.00210 0.00072 45 4YZ -0.00202 0.00008 -0.00107 -0.00380 0.00285 46 4 C 1S 0.00264 -0.02760 -0.00240 -0.00474 0.00868 47 2S -0.00834 0.05880 0.00486 0.00977 -0.02298 48 2PX 0.02553 -0.02540 0.03924 0.00432 -0.08807 49 2PY 0.06126 0.03367 0.00965 0.19372 0.01380 50 2PZ -0.00837 0.04836 0.01801 -0.17666 0.17986 51 3S -0.00205 0.06823 0.00682 0.01263 -0.02899 52 3PX 0.01168 -0.00264 0.02087 -0.00358 -0.02637 53 3PY 0.01739 0.01953 0.00210 0.07022 0.03521 54 3PZ -0.00441 0.01266 0.00708 -0.06669 0.03024 55 4XX 0.00169 -0.00125 0.00048 -0.00201 0.00013 56 4YY -0.00107 -0.00304 0.00031 -0.00312 0.00826 57 4ZZ -0.00047 0.00162 -0.00092 0.00348 -0.00319 58 4XY -0.00028 -0.00282 -0.00068 0.00043 -0.00635 59 4XZ -0.00142 -0.00227 -0.00274 0.00258 0.00098 60 4YZ -0.00131 0.00533 -0.00071 -0.00129 0.01036 61 5 H 1S 0.00457 -0.06595 0.00439 -0.02100 -0.10618 62 2S 0.00668 -0.04509 0.00459 -0.02019 -0.10361 63 6 H 1S 0.00455 0.06595 0.00443 -0.02099 0.10616 64 2S 0.00666 0.04509 0.00462 -0.02018 0.10360 65 7 C 1S -0.01976 0.03907 0.00121 0.00037 -0.01173 66 2S 0.04491 -0.07671 -0.00595 -0.00410 0.01812 67 2PX -0.06114 -0.11939 0.07441 0.03506 -0.00410 68 2PY -0.00031 0.06443 0.00057 0.01627 -0.00911 69 2PZ 0.05032 0.19279 -0.20301 -0.02439 -0.02227 70 3S 0.05325 -0.13101 -0.00427 0.00471 0.08513 71 3PX -0.02731 -0.03242 0.01622 0.01109 -0.00799 72 3PY -0.00925 -0.00144 0.00220 0.00684 0.02886 73 3PZ 0.01708 0.05476 -0.07786 -0.00588 -0.00029 74 4XX -0.00564 0.00750 -0.00364 -0.00229 0.00063 75 4YY 0.00143 -0.00156 0.00209 0.00056 -0.00204 76 4ZZ -0.00053 -0.00159 0.00341 0.00105 -0.00098 77 4XY 0.00289 0.01268 -0.00594 0.00017 0.00031 78 4XZ -0.00215 -0.00508 0.00267 0.00240 -0.00031 79 4YZ -0.00247 -0.02117 0.00407 0.00022 0.00355 80 8 C 1S -0.01974 -0.03908 0.00118 0.00036 0.01173 81 2S 0.04487 0.07673 -0.00590 -0.00409 -0.01813 82 2PX -0.06126 0.11926 0.07451 0.03509 0.00407 83 2PY 0.00026 0.06448 -0.00047 -0.01625 -0.00905 84 2PZ 0.05048 -0.19259 -0.20319 -0.02442 0.02228 85 3S 0.05318 0.13104 -0.00419 0.00473 -0.08514 86 3PX -0.02735 0.03238 0.01625 0.01109 0.00798 87 3PY 0.00924 -0.00142 -0.00217 -0.00685 0.02887 88 3PZ 0.01714 -0.05470 -0.07791 -0.00589 0.00031 89 4XX -0.00564 -0.00750 -0.00365 -0.00229 -0.00063 90 4YY 0.00143 0.00156 0.00209 0.00056 0.00203 91 4ZZ -0.00053 0.00158 0.00341 0.00105 0.00098 92 4XY -0.00290 0.01267 0.00595 -0.00017 0.00031 93 4XZ -0.00216 0.00508 0.00268 0.00240 0.00030 94 4YZ 0.00248 -0.02116 -0.00409 -0.00023 0.00355 95 9 H 1S 0.00527 -0.04743 0.00170 -0.01723 0.14877 96 2S 0.00399 -0.03229 -0.00269 -0.01648 0.15129 97 10 H 1S 0.00525 0.04743 0.00171 -0.01723 -0.14877 98 2S 0.00397 0.03228 -0.00269 -0.01648 -0.15130 99 11 C 1S -0.00079 -0.00722 0.00408 0.00367 0.00875 100 2S 0.00133 0.01265 -0.00954 -0.00882 -0.01490 101 2PX 0.20972 0.00656 0.09189 0.11209 0.02583 102 2PY -0.00034 0.00190 0.02190 -0.13293 0.01534 103 2PZ 0.13921 -0.05266 0.10835 -0.16394 -0.14478 104 3S 0.00479 0.02627 -0.00949 -0.02054 -0.06318 105 3PX 0.09158 -0.00715 0.03529 0.04793 0.00820 106 3PY 0.00056 -0.00938 0.00667 -0.06656 0.03970 107 3PZ 0.06148 -0.01886 0.05195 -0.07196 -0.06738 108 4XX 0.00866 -0.00046 0.00514 -0.00223 -0.00290 109 4YY 0.00004 -0.00202 -0.00104 0.00154 0.00510 110 4ZZ -0.00720 0.00099 -0.00403 0.00299 -0.00019 111 4XY 0.00157 0.00105 0.00049 0.00198 -0.00143 112 4XZ 0.00239 0.00244 0.00065 0.00408 0.00623 113 4YZ 0.00201 -0.00437 0.00163 -0.00189 -0.00696 114 12 H 1S -0.09805 0.04060 -0.06512 0.05052 0.07715 115 2S -0.07763 0.03792 -0.04254 0.04871 0.06555 116 13 H 1S 0.13168 0.00338 0.06571 0.00962 -0.01169 117 2S 0.09848 0.00533 0.05390 0.01197 -0.00672 118 14 C 1S -0.00078 0.00722 0.00408 0.00367 -0.00875 119 2S 0.00132 -0.01264 -0.00953 -0.00881 0.01489 120 2PX 0.20970 -0.00649 0.09191 0.11206 -0.02584 121 2PY 0.00038 0.00188 -0.02190 0.13299 0.01529 122 2PZ 0.13919 0.05270 0.10839 -0.16391 0.14475 123 3S 0.00479 -0.02626 -0.00948 -0.02053 0.06317 124 3PX 0.09156 0.00719 0.03532 0.04792 -0.00821 125 3PY -0.00053 -0.00938 -0.00668 0.06658 0.03968 126 3PZ 0.06147 0.01887 0.05196 -0.07195 0.06737 127 4XX 0.00866 0.00046 0.00514 -0.00223 0.00291 128 4YY 0.00004 0.00202 -0.00104 0.00154 -0.00510 129 4ZZ -0.00720 -0.00100 -0.00403 0.00299 0.00019 130 4XY -0.00157 0.00105 -0.00049 -0.00198 -0.00143 131 4XZ 0.00239 -0.00244 0.00065 0.00408 -0.00623 132 4YZ -0.00201 -0.00437 -0.00163 0.00189 -0.00696 133 15 H 1S -0.09802 -0.04063 -0.06515 0.05052 -0.07713 134 2S -0.07761 -0.03795 -0.04257 0.04871 -0.06552 135 16 H 1S 0.13166 -0.00334 0.06574 0.00962 0.01169 136 2S 0.09847 -0.00530 0.05391 0.01197 0.00672 137 17 H 1S -0.01770 0.17736 0.09707 0.00891 -0.02030 138 2S -0.02832 0.13966 0.07210 0.00585 -0.01263 139 18 H 1S -0.01757 -0.17745 0.09692 0.00888 0.02031 140 2S -0.02821 -0.13974 0.07198 0.00582 0.01265 141 19 O 1S 0.01027 -0.01715 -0.01853 -0.00591 0.00590 142 2S -0.02379 0.03778 0.04256 0.01226 -0.00927 143 2PX 0.12908 0.22485 -0.19738 -0.04913 -0.02976 144 2PY -0.05488 -0.03587 0.03812 -0.01562 0.03589 145 2PZ -0.02740 -0.06197 0.09751 0.02819 -0.03723 146 3S -0.04573 0.08332 0.07702 0.02610 -0.03742 147 3PX 0.06849 0.11877 -0.10825 -0.02768 -0.02346 148 3PY -0.02778 -0.01195 0.01583 -0.01338 0.01960 149 3PZ -0.00901 -0.02664 0.05156 0.01715 -0.02472 150 4XX 0.00430 -0.00123 -0.00751 -0.00016 0.00020 151 4YY -0.00404 -0.00197 0.00336 -0.00144 0.00256 152 4ZZ 0.00297 -0.00339 -0.00022 -0.00108 0.00230 153 4XY 0.00539 0.00937 -0.00787 -0.00224 -0.00096 154 4XZ -0.00456 -0.00008 0.00245 0.00178 -0.00047 155 4YZ 0.00088 -0.00241 0.00407 0.00080 -0.00167 156 20 O 1S 0.01027 0.01718 -0.01852 -0.00591 -0.00589 157 2S -0.02377 -0.03783 0.04254 0.01225 0.00924 158 2PX 0.12929 -0.22459 -0.19760 -0.04917 0.02980 159 2PY 0.05490 -0.03580 -0.03815 0.01561 0.03581 160 2PZ -0.02747 0.06183 0.09755 0.02821 0.03722 161 3S -0.04570 -0.08340 0.07697 0.02609 0.03736 162 3PX 0.06860 -0.11864 -0.10837 -0.02770 0.02349 163 3PY 0.02779 -0.01192 -0.01584 0.01338 0.01955 164 3PZ -0.00904 0.02658 0.05157 0.01717 0.02471 165 4XX 0.00430 0.00124 -0.00751 -0.00016 -0.00020 166 4YY -0.00404 0.00197 0.00337 -0.00144 -0.00256 167 4ZZ 0.00297 0.00340 -0.00022 -0.00108 -0.00230 168 4XY -0.00539 0.00936 0.00788 0.00225 -0.00096 169 4XZ -0.00456 0.00007 0.00245 0.00178 0.00047 170 4YZ -0.00087 -0.00241 -0.00407 -0.00080 -0.00167 171 21 C 1S -0.01424 -0.00002 0.02213 0.00482 -0.00001 172 2S 0.02956 0.00003 -0.04355 -0.01005 0.00001 173 2PX -0.14655 -0.00018 0.26766 0.01859 0.00002 174 2PY -0.00010 0.19257 0.00009 0.00002 -0.03018 175 2PZ 0.16279 0.00009 -0.02319 -0.04745 0.00000 176 3S 0.03603 0.00005 -0.06235 -0.01052 0.00001 177 3PX -0.05679 -0.00007 0.09989 0.00635 0.00001 178 3PY -0.00005 0.08482 0.00005 0.00001 -0.00597 179 3PZ 0.06678 0.00004 -0.00882 -0.01646 0.00000 180 4XX 0.00216 0.00001 -0.01172 -0.00167 0.00000 181 4YY -0.01758 -0.00002 0.02779 0.00656 0.00000 182 4ZZ 0.01538 0.00001 -0.01590 -0.00455 0.00000 183 4XY 0.00000 0.00857 0.00000 0.00000 -0.00155 184 4XZ 0.00030 0.00000 -0.00579 0.00232 0.00000 185 4YZ 0.00000 -0.00421 0.00000 0.00000 0.00341 186 22 H 1S 0.12955 0.00009 -0.08182 -0.03916 0.00001 187 2S 0.09072 0.00007 -0.05730 -0.03256 0.00000 188 23 H 1S 0.03424 0.00008 -0.14781 0.00072 0.00000 189 2S 0.02397 0.00006 -0.10847 0.00332 0.00000 31 32 33 34 35 O O O O O Eigenvalues -- -0.38848 -0.37953 -0.36269 -0.35121 -0.34582 1 1 C 1S -0.01886 0.00413 0.00775 -0.00531 -0.00793 2 2S 0.04386 -0.00811 -0.00949 0.01312 0.01959 3 2PX 0.07040 0.00823 0.01641 -0.01405 0.12819 4 2PY 0.18936 -0.11935 -0.00620 -0.00273 -0.08251 5 2PZ -0.12417 0.03037 0.05109 -0.00119 0.01027 6 3S 0.06862 -0.01612 -0.08490 0.02831 0.00542 7 3PX 0.02685 0.01342 0.00882 0.00311 0.07369 8 3PY 0.05035 -0.03668 -0.02488 -0.00254 -0.02835 9 3PZ -0.04606 0.01361 0.05041 -0.00500 0.01503 10 4XX -0.00332 0.00156 0.00136 -0.00070 0.00004 11 4YY 0.00574 -0.00241 0.00511 -0.00114 -0.00060 12 4ZZ -0.00860 0.00451 -0.00298 0.00221 -0.00022 13 4XY -0.00132 0.00130 -0.00157 0.00125 0.00261 14 4XZ 0.00520 -0.00401 -0.00151 0.00003 -0.00541 15 4YZ 0.00237 -0.00049 -0.00159 -0.00081 0.00109 16 2 C 1S 0.00040 -0.00306 0.00570 -0.00694 -0.00639 17 2S -0.00152 0.00761 -0.01716 0.01698 0.01793 18 2PX -0.01289 0.01469 0.06014 -0.02591 0.10673 19 2PY -0.02943 0.03147 -0.12611 0.03709 0.02176 20 2PZ 0.03664 0.02875 0.04276 -0.03901 0.07082 21 3S -0.00561 0.00985 0.02464 0.02035 0.00484 22 3PX 0.01382 0.00445 0.05209 -0.01221 0.05845 23 3PY -0.01081 -0.00060 -0.01706 0.00499 0.00418 24 3PZ -0.01707 0.01244 0.03424 -0.03624 0.05151 25 4XX -0.00088 -0.00260 0.00103 -0.00418 -0.00645 26 4YY 0.00270 -0.00227 0.00597 -0.00112 -0.00453 27 4ZZ -0.00052 0.00268 -0.00612 0.00420 0.00654 28 4XY -0.00422 0.00450 0.00171 -0.00075 0.00246 29 4XZ 0.00120 0.00003 0.00079 -0.00185 -0.00081 30 4YZ 0.01047 -0.00385 0.00076 -0.00121 0.00122 31 3 C 1S 0.00040 -0.00306 -0.00569 0.00694 -0.00639 32 2S -0.00151 0.00762 0.01714 -0.01698 0.01795 33 2PX -0.01287 0.01472 -0.06017 0.02592 0.10672 34 2PY 0.02938 -0.03151 -0.12611 0.03709 -0.02179 35 2PZ 0.03667 0.02875 -0.04281 0.03902 0.07079 36 3S -0.00559 0.00986 -0.02465 -0.02036 0.00486 37 3PX 0.01383 0.00446 -0.05211 0.01221 0.05844 38 3PY 0.01081 0.00059 -0.01707 0.00498 -0.00418 39 3PZ -0.01706 0.01244 -0.03426 0.03625 0.05149 40 4XX -0.00089 -0.00260 -0.00103 0.00418 -0.00645 41 4YY 0.00270 -0.00228 -0.00597 0.00112 -0.00453 42 4ZZ -0.00053 0.00268 0.00612 -0.00420 0.00654 43 4XY 0.00422 -0.00450 0.00171 -0.00076 -0.00246 44 4XZ 0.00120 0.00003 -0.00078 0.00185 -0.00081 45 4YZ -0.01047 0.00385 0.00075 -0.00121 -0.00122 46 4 C 1S -0.01886 0.00413 -0.00775 0.00531 -0.00793 47 2S 0.04386 -0.00810 0.00949 -0.01312 0.01959 48 2PX 0.07046 0.00822 -0.01646 0.01407 0.12817 49 2PY -0.18932 0.11935 -0.00624 -0.00274 0.08253 50 2PZ -0.12425 0.03037 -0.05110 0.00120 0.01027 51 3S 0.06862 -0.01610 0.08489 -0.02831 0.00544 52 3PX 0.02686 0.01342 -0.00884 -0.00310 0.07369 53 3PY -0.05034 0.03667 -0.02489 -0.00255 0.02836 54 3PZ -0.04608 0.01360 -0.05042 0.00500 0.01502 55 4XX -0.00332 0.00156 -0.00136 0.00070 0.00004 56 4YY 0.00574 -0.00241 -0.00511 0.00115 -0.00060 57 4ZZ -0.00860 0.00451 0.00298 -0.00221 -0.00022 58 4XY 0.00132 -0.00129 -0.00157 0.00125 -0.00261 59 4XZ 0.00520 -0.00401 0.00151 -0.00003 -0.00542 60 4YZ -0.00236 0.00049 -0.00159 -0.00081 -0.00109 61 5 H 1S -0.12058 0.04950 0.01525 0.01175 0.01044 62 2S -0.11931 0.04874 0.00094 0.00445 0.01304 63 6 H 1S -0.12061 0.04949 -0.01526 -0.01176 0.01043 64 2S -0.11933 0.04872 -0.00095 -0.00445 0.01305 65 7 C 1S 0.00535 0.01143 -0.01224 -0.01539 -0.00448 66 2S -0.01188 -0.02437 0.02568 0.03478 0.01599 67 2PX -0.06320 -0.11949 -0.09581 -0.08546 -0.14540 68 2PY -0.11726 -0.23047 -0.00453 0.02355 0.18100 69 2PZ -0.02584 -0.04968 -0.04146 0.07334 -0.07952 70 3S -0.02482 -0.04560 0.05276 0.07153 0.00436 71 3PX -0.03414 -0.05476 -0.06071 -0.00090 -0.08096 72 3PY -0.02754 -0.05934 0.01998 0.06543 0.05892 73 3PZ -0.00509 -0.02494 -0.02717 0.00322 -0.06469 74 4XX 0.00330 0.00954 0.00703 0.01075 0.00084 75 4YY -0.00438 -0.00880 -0.00349 -0.01019 0.00549 76 4ZZ 0.00385 0.00627 -0.00549 -0.00160 -0.01067 77 4XY -0.00344 -0.00532 0.00403 -0.00057 0.00014 78 4XZ -0.00491 -0.00892 -0.00345 -0.00606 0.00358 79 4YZ 0.00192 0.00362 0.00541 -0.00106 -0.00792 80 8 C 1S 0.00535 0.01142 0.01224 0.01539 -0.00448 81 2S -0.01188 -0.02437 -0.02569 -0.03477 0.01598 82 2PX -0.06321 -0.11949 0.09589 0.08543 -0.14539 83 2PY 0.11727 0.23049 -0.00446 0.02350 -0.18099 84 2PZ -0.02582 -0.04964 0.04152 -0.07336 -0.07953 85 3S -0.02481 -0.04559 -0.05277 -0.07151 0.00432 86 3PX -0.03415 -0.05476 0.06075 0.00088 -0.08093 87 3PY 0.02755 0.05935 0.02000 0.06541 -0.05891 88 3PZ -0.00508 -0.02492 0.02721 -0.00323 -0.06469 89 4XX 0.00330 0.00954 -0.00703 -0.01075 0.00084 90 4YY -0.00438 -0.00880 0.00348 0.01020 0.00548 91 4ZZ 0.00384 0.00627 0.00550 0.00160 -0.01066 92 4XY 0.00344 0.00532 0.00403 -0.00058 -0.00014 93 4XZ -0.00491 -0.00892 0.00345 0.00606 0.00358 94 4YZ -0.00192 -0.00363 0.00541 -0.00105 0.00793 95 9 H 1S 0.02108 -0.01892 -0.07140 0.01554 -0.02344 96 2S 0.02025 -0.02649 -0.07457 0.03199 -0.02579 97 10 H 1S 0.02110 -0.01890 0.07140 -0.01553 -0.02343 98 2S 0.02028 -0.02646 0.07458 -0.03198 -0.02577 99 11 C 1S 0.01875 -0.01128 -0.00689 0.00206 -0.00178 100 2S -0.04059 0.02636 0.00955 -0.00664 0.00152 101 2PX 0.08384 -0.07650 -0.16729 0.14294 -0.08438 102 2PY 0.19851 -0.13943 -0.00468 -0.00123 0.06107 103 2PZ -0.12408 0.02474 -0.11380 0.10277 -0.05866 104 3S -0.07966 0.03238 0.06563 -0.00140 0.01411 105 3PX 0.05122 -0.03445 -0.08256 0.05871 -0.04114 106 3PY 0.08017 -0.06423 -0.02463 0.00647 0.03076 107 3PZ -0.05445 0.01565 -0.03582 0.05106 -0.02360 108 4XX 0.00295 -0.00628 -0.00587 0.00631 -0.00833 109 4YY -0.00641 0.00440 -0.00262 0.00034 -0.00195 110 4ZZ 0.00881 -0.00108 0.00715 -0.00654 0.00993 111 4XY -0.00006 -0.00016 -0.00960 0.00887 -0.00011 112 4XZ 0.00390 -0.00251 -0.00326 0.00188 -0.00152 113 4YZ -0.00093 -0.00023 -0.00929 0.00754 -0.00010 114 12 H 1S 0.09373 -0.02345 0.10134 -0.08848 0.06540 115 2S 0.09644 -0.01926 0.09994 -0.08322 0.06323 116 13 H 1S 0.05305 -0.06150 -0.11857 0.10639 -0.05203 117 2S 0.04643 -0.06011 -0.11147 0.10351 -0.05400 118 14 C 1S 0.01875 -0.01128 0.00689 -0.00207 -0.00178 119 2S -0.04060 0.02636 -0.00956 0.00664 0.00151 120 2PX 0.08388 -0.07653 0.16735 -0.14295 -0.08424 121 2PY -0.19846 0.13940 -0.00466 -0.00122 -0.06108 122 2PZ -0.12416 0.02474 0.11383 -0.10278 -0.05860 123 3S -0.07967 0.03238 -0.06564 0.00141 0.01408 124 3PX 0.05124 -0.03446 0.08259 -0.05872 -0.04108 125 3PY -0.08015 0.06420 -0.02461 0.00648 -0.03077 126 3PZ -0.05448 0.01565 0.03583 -0.05106 -0.02358 127 4XX 0.00294 -0.00628 0.00588 -0.00631 -0.00833 128 4YY -0.00641 0.00440 0.00262 -0.00033 -0.00195 129 4ZZ 0.00881 -0.00108 -0.00715 0.00655 0.00992 130 4XY 0.00007 0.00015 -0.00960 0.00887 0.00010 131 4XZ 0.00390 -0.00251 0.00326 -0.00188 -0.00152 132 4YZ 0.00093 0.00023 -0.00929 0.00753 0.00009 133 15 H 1S 0.09377 -0.02344 -0.10137 0.08848 0.06533 134 2S 0.09647 -0.01925 -0.09996 0.08321 0.06316 135 16 H 1S 0.05303 -0.06150 0.11861 -0.10641 -0.05194 136 2S 0.04641 -0.06011 0.11151 -0.10352 -0.05391 137 17 H 1S 0.04803 0.08531 -0.01205 0.03996 -0.06526 138 2S 0.05593 0.08498 -0.00476 0.03841 -0.07198 139 18 H 1S 0.04803 0.08530 0.01207 -0.03998 -0.06525 140 2S 0.05593 0.08498 0.00478 -0.03844 -0.07197 141 19 O 1S 0.02072 0.03799 0.01957 0.03006 -0.01776 142 2S -0.04032 -0.07513 -0.03671 -0.06081 0.03510 143 2PX 0.05048 0.09538 -0.08877 0.02274 -0.07143 144 2PY 0.10217 0.19220 0.14289 0.33769 -0.12040 145 2PZ -0.04932 -0.11010 -0.22318 -0.13253 -0.10202 146 3S -0.10025 -0.17953 -0.09451 -0.10692 0.08847 147 3PX 0.03131 0.06238 -0.06560 0.01543 -0.05534 148 3PY 0.06380 0.12126 0.09057 0.22434 -0.07443 149 3PZ -0.02974 -0.06854 -0.14872 -0.09403 -0.06642 150 4XX -0.00132 -0.00310 -0.00290 -0.00206 -0.00656 151 4YY 0.00801 0.01402 0.00757 0.01586 -0.00857 152 4ZZ 0.00360 0.00685 0.00645 0.00015 0.00655 153 4XY 0.00077 0.00114 -0.00274 0.00341 0.00057 154 4XZ -0.00198 -0.00374 -0.00015 -0.00069 -0.00437 155 4YZ -0.00085 -0.00260 -0.01084 -0.01030 -0.00481 156 20 O 1S 0.02072 0.03799 -0.01957 -0.03007 -0.01776 157 2S -0.04033 -0.07513 0.03669 0.06083 0.03510 158 2PX 0.05048 0.09539 0.08880 -0.02277 -0.07135 159 2PY -0.10215 -0.19214 0.14280 0.33773 0.12039 160 2PZ -0.04936 -0.11014 0.22325 0.13258 -0.10192 161 3S -0.10026 -0.17953 0.09448 0.10696 0.08850 162 3PX 0.03131 0.06238 0.06562 -0.01545 -0.05529 163 3PY -0.06379 -0.12123 0.09050 0.22437 0.07442 164 3PZ -0.02977 -0.06857 0.14876 0.09407 -0.06635 165 4XX -0.00132 -0.00310 0.00290 0.00206 -0.00656 166 4YY 0.00801 0.01402 -0.00757 -0.01586 -0.00857 167 4ZZ 0.00360 0.00685 -0.00646 -0.00016 0.00655 168 4XY -0.00077 -0.00114 -0.00274 0.00341 -0.00057 169 4XZ -0.00198 -0.00374 0.00015 0.00069 -0.00437 170 4YZ 0.00086 0.00260 -0.01084 -0.01030 0.00481 171 21 C 1S -0.01610 -0.02995 0.00000 0.00000 0.02288 172 2S 0.04091 0.07406 0.00001 -0.00001 -0.05582 173 2PX 0.07057 0.12800 0.00001 -0.00001 -0.03510 174 2PY 0.00000 -0.00001 -0.07714 -0.13499 -0.00003 175 2PZ 0.05923 0.10338 -0.00004 0.00003 0.20384 176 3S 0.04022 0.07740 0.00001 -0.00002 -0.07808 177 3PX 0.02304 0.05228 0.00001 -0.00001 -0.03716 178 3PY 0.00000 0.00000 -0.00728 0.00273 -0.00002 179 3PZ 0.02010 0.02759 -0.00001 0.00002 0.05909 180 4XX 0.00215 0.00365 0.00000 0.00000 -0.01380 181 4YY -0.00707 -0.01381 0.00000 0.00000 0.00258 182 4ZZ 0.00453 0.00872 0.00000 0.00001 0.01488 183 4XY 0.00000 0.00000 -0.00318 -0.01642 0.00000 184 4XZ -0.00715 -0.01400 0.00000 0.00000 -0.01269 185 4YZ 0.00000 0.00000 0.01704 0.01359 0.00000 186 22 H 1S 0.04899 0.09037 -0.00002 0.00003 0.12353 187 2S 0.03185 0.07220 -0.00002 0.00003 0.13817 188 23 H 1S -0.03781 -0.06859 0.00002 -0.00001 -0.09777 189 2S -0.04371 -0.07980 0.00002 -0.00001 -0.09747 36 37 38 39 40 O O O O O Eigenvalues -- -0.32849 -0.32252 -0.31725 -0.27465 -0.19648 1 1 C 1S 0.00562 0.00160 -0.00440 -0.00855 0.00570 2 2S -0.01406 -0.01628 0.01510 0.00723 -0.01367 3 2PX -0.00117 -0.05411 0.01185 0.26888 -0.18953 4 2PY 0.00337 0.01730 0.21747 -0.00210 0.02688 5 2PZ -0.05901 0.19798 0.01172 0.08588 -0.03645 6 3S -0.01902 0.08277 0.00605 0.06364 0.02569 7 3PX -0.01690 -0.00128 0.00418 0.17110 -0.12823 8 3PY 0.00367 0.04636 0.07766 -0.00611 0.05784 9 3PZ -0.01864 0.02451 0.01530 0.04376 -0.05460 10 4XX 0.00034 0.00214 -0.00235 0.00031 -0.00260 11 4YY 0.00066 -0.00099 0.00965 0.00104 -0.00290 12 4ZZ -0.00205 0.00375 -0.00974 -0.00653 0.00803 13 4XY -0.00033 0.00446 -0.00060 0.00713 0.01347 14 4XZ 0.00395 -0.00629 0.00529 -0.00253 0.00678 15 4YZ 0.00523 -0.01617 0.00470 0.00518 0.00061 16 2 C 1S 0.00832 0.00158 0.00141 0.01294 -0.01335 17 2S -0.02229 0.00062 -0.00836 -0.02454 0.02680 18 2PX -0.07231 0.14637 -0.06569 0.10774 -0.26158 19 2PY -0.02892 0.02826 -0.19003 -0.06199 0.08042 20 2PZ 0.07317 -0.21873 -0.01475 0.07731 -0.14971 21 3S -0.00851 -0.04623 0.01564 -0.06978 0.05644 22 3PX -0.03475 0.05223 -0.02138 0.06687 -0.21430 23 3PY -0.00700 -0.02670 -0.05531 -0.06265 0.03308 24 3PZ 0.03586 -0.08814 -0.01113 0.04909 -0.11541 25 4XX 0.00403 0.00652 -0.00653 -0.00236 0.00660 26 4YY 0.00127 -0.00334 0.02105 0.00185 -0.00182 27 4ZZ -0.00331 -0.00153 -0.01063 0.00495 -0.00610 28 4XY -0.00195 0.00373 0.00366 0.00536 -0.00225 29 4XZ 0.00270 -0.00275 0.00449 0.01141 -0.00601 30 4YZ 0.00261 -0.00791 0.00111 0.00085 -0.00136 31 3 C 1S -0.00832 -0.00158 0.00140 0.01294 0.01334 32 2S 0.02229 -0.00061 -0.00835 -0.02453 -0.02676 33 2PX 0.07234 -0.14635 -0.06574 0.10771 0.26167 34 2PY -0.02890 0.02815 0.19003 0.06198 0.08046 35 2PZ -0.07316 0.21875 -0.01467 0.07731 0.14975 36 3S 0.00851 0.04622 0.01566 -0.06981 -0.05654 37 3PX 0.03476 -0.05221 -0.02140 0.06684 0.21434 38 3PY -0.00699 -0.02674 0.05530 0.06266 0.03318 39 3PZ -0.03585 0.08814 -0.01111 0.04910 0.11549 40 4XX -0.00403 -0.00652 -0.00654 -0.00235 -0.00661 41 4YY -0.00127 0.00334 0.02105 0.00185 0.00182 42 4ZZ 0.00331 0.00153 -0.01063 0.00494 0.00609 43 4XY -0.00195 0.00372 -0.00367 -0.00537 -0.00226 44 4XZ -0.00270 0.00275 0.00449 0.01141 0.00599 45 4YZ 0.00261 -0.00791 -0.00110 -0.00084 -0.00136 46 4 C 1S -0.00562 -0.00160 -0.00440 -0.00855 -0.00570 47 2S 0.01406 0.01628 0.01510 0.00723 0.01367 48 2PX 0.00120 0.05411 0.01191 0.26887 0.18916 49 2PY 0.00340 0.01741 -0.21746 0.00213 0.02685 50 2PZ 0.05901 -0.19798 0.01164 0.08587 0.03626 51 3S 0.01903 -0.08277 0.00604 0.06366 -0.02569 52 3PX 0.01691 0.00128 0.00421 0.17109 0.12790 53 3PY 0.00368 0.04638 -0.07765 0.00613 0.05779 54 3PZ 0.01864 -0.02450 0.01529 0.04374 0.05443 55 4XX -0.00034 -0.00214 -0.00235 0.00031 0.00260 56 4YY -0.00066 0.00100 0.00965 0.00104 0.00290 57 4ZZ 0.00205 -0.00376 -0.00974 -0.00653 -0.00803 58 4XY -0.00033 0.00446 0.00060 -0.00713 0.01348 59 4XZ -0.00395 0.00629 0.00529 -0.00253 -0.00678 60 4YZ 0.00523 -0.01617 -0.00470 -0.00518 0.00061 61 5 H 1S -0.04518 0.12965 -0.07676 -0.02526 0.02833 62 2S -0.04300 0.16005 -0.08731 -0.02213 0.04490 63 6 H 1S 0.04518 -0.12963 -0.07678 -0.02526 -0.02835 64 2S 0.04300 -0.16003 -0.08733 -0.02213 -0.04489 65 7 C 1S -0.02810 -0.00912 0.00005 -0.00737 -0.00319 66 2S 0.06338 0.02183 0.00185 0.02130 0.00196 67 2PX 0.06179 0.02466 -0.05205 0.06481 0.06569 68 2PY -0.01672 -0.00570 0.06287 -0.02474 0.00237 69 2PZ 0.04908 0.01981 -0.03168 0.02876 0.08570 70 3S 0.09262 0.02128 0.00419 -0.00229 0.02109 71 3PX 0.07202 0.04393 -0.03753 0.05214 0.05096 72 3PY 0.01200 -0.00500 0.01516 -0.00543 -0.04366 73 3PZ 0.01568 -0.01211 -0.02391 0.01897 0.05117 74 4XX -0.00885 -0.00255 0.00148 -0.01078 0.00785 75 4YY -0.00600 -0.00210 0.00266 0.00081 -0.00127 76 4ZZ 0.01153 0.00355 -0.00436 0.00764 -0.00484 77 4XY -0.01009 -0.00337 -0.00113 -0.00056 -0.00411 78 4XZ -0.00530 -0.00188 0.00245 -0.00767 0.00824 79 4YZ 0.00130 0.00022 -0.00304 0.00174 -0.00644 80 8 C 1S 0.02810 0.00912 0.00006 -0.00738 0.00323 81 2S -0.06338 -0.02183 0.00184 0.02131 -0.00204 82 2PX -0.06178 -0.02466 -0.05207 0.06481 -0.06619 83 2PY -0.01670 -0.00569 -0.06287 0.02473 0.00222 84 2PZ -0.04906 -0.01981 -0.03170 0.02876 -0.08617 85 3S -0.09263 -0.02129 0.00415 -0.00225 -0.02134 86 3PX -0.07201 -0.04393 -0.03755 0.05214 -0.05132 87 3PY 0.01201 -0.00500 -0.01515 0.00543 -0.04381 88 3PZ -0.01567 0.01211 -0.02392 0.01898 -0.05148 89 4XX 0.00885 0.00255 0.00148 -0.01078 -0.00788 90 4YY 0.00599 0.00210 0.00266 0.00081 0.00127 91 4ZZ -0.01153 -0.00355 -0.00436 0.00764 0.00487 92 4XY -0.01009 -0.00337 0.00113 0.00056 -0.00408 93 4XZ 0.00530 0.00188 0.00245 -0.00767 -0.00825 94 4YZ 0.00131 0.00022 0.00304 -0.00174 -0.00642 95 9 H 1S -0.01497 0.02974 0.15643 0.02271 0.02020 96 2S -0.01826 0.04243 0.17273 0.02417 0.04837 97 10 H 1S 0.01496 -0.02977 0.15642 0.02272 -0.02018 98 2S 0.01825 -0.04247 0.17272 0.02418 -0.04834 99 11 C 1S -0.00465 0.00715 -0.00600 0.00321 0.00758 100 2S 0.00900 -0.01882 0.01693 -0.00825 -0.01057 101 2PX -0.15288 0.11102 0.03086 -0.01509 -0.06447 102 2PY 0.00852 -0.01619 -0.26996 -0.06316 0.01229 103 2PZ -0.00339 -0.21044 -0.02785 -0.04124 -0.04984 104 3S 0.02719 -0.04954 0.00457 -0.01192 -0.08231 105 3PX -0.08216 0.06687 0.02647 -0.01009 -0.03326 106 3PY -0.00286 -0.00697 -0.13436 -0.04401 0.02246 107 3PZ -0.00694 -0.11143 -0.02327 0.00288 -0.01921 108 4XX -0.00659 -0.00251 -0.00613 -0.00782 -0.01452 109 4YY 0.00017 -0.00073 0.01200 0.00201 0.00377 110 4ZZ 0.00370 0.00669 -0.00847 0.00560 0.01197 111 4XY -0.00938 0.00666 -0.00336 -0.00079 -0.00420 112 4XZ -0.00404 0.00619 0.00162 0.00110 0.00055 113 4YZ -0.00064 -0.01335 0.00240 0.00168 -0.00092 114 12 H 1S 0.02884 0.11874 -0.05352 0.01889 0.06559 115 2S 0.02101 0.12424 -0.05983 0.04916 0.10790 116 13 H 1S -0.09800 0.02583 -0.04331 -0.04239 -0.08359 117 2S -0.09490 0.02505 -0.04678 -0.04274 -0.10287 118 14 C 1S 0.00465 -0.00715 -0.00600 0.00321 -0.00761 119 2S -0.00900 0.01882 0.01693 -0.00825 0.01063 120 2PX 0.15286 -0.11104 0.03082 -0.01513 0.06436 121 2PY 0.00852 -0.01631 0.26997 0.06316 0.01228 122 2PZ 0.00339 0.21044 -0.02774 -0.04125 0.04990 123 3S -0.02719 0.04954 0.00458 -0.01194 0.08251 124 3PX 0.08215 -0.06688 0.02645 -0.01011 0.03322 125 3PY -0.00286 -0.00703 0.13437 0.04400 0.02241 126 3PZ 0.00694 0.11142 -0.02321 0.00287 0.01928 127 4XX 0.00659 0.00251 -0.00613 -0.00782 0.01451 128 4YY -0.00017 0.00074 0.01200 0.00201 -0.00377 129 4ZZ -0.00369 -0.00669 -0.00848 0.00560 -0.01196 130 4XY -0.00938 0.00666 0.00336 0.00079 -0.00419 131 4XZ 0.00403 -0.00619 0.00162 0.00110 -0.00056 132 4YZ -0.00064 -0.01335 -0.00240 -0.00168 -0.00092 133 15 H 1S -0.02882 -0.11873 -0.05357 0.01891 -0.06557 134 2S -0.02099 -0.12422 -0.05988 0.04917 -0.10788 135 16 H 1S 0.09800 -0.02582 -0.04327 -0.04241 0.08354 136 2S 0.09490 -0.02504 -0.04674 -0.04276 0.10271 137 17 H 1S -0.03694 -0.00892 -0.02568 0.03208 0.05699 138 2S -0.01608 0.01067 -0.03066 0.04245 0.09873 139 18 H 1S 0.03694 0.00893 -0.02567 0.03207 -0.05693 140 2S 0.01609 -0.01066 -0.03066 0.04244 -0.09856 141 19 O 1S 0.01644 0.00227 -0.00292 -0.00340 0.00912 142 2S -0.03497 -0.00675 0.00601 0.00398 -0.02172 143 2PX 0.15354 0.06815 -0.05097 0.14021 -0.09537 144 2PY 0.22691 0.06421 -0.03335 0.02711 -0.02452 145 2PZ 0.26603 0.10501 -0.05281 0.18923 -0.11192 146 3S -0.05341 0.00875 0.01072 0.03365 -0.05325 147 3PX 0.11543 0.05282 -0.03704 0.10661 -0.06907 148 3PY 0.15542 0.04748 -0.02443 0.03023 -0.02290 149 3PZ 0.18567 0.07171 -0.03389 0.12846 -0.08998 150 4XX 0.00406 0.00093 -0.00257 0.00356 0.00380 151 4YY 0.01147 0.00268 -0.00179 0.00220 -0.00203 152 4ZZ -0.00766 -0.00328 0.00291 -0.00935 -0.00004 153 4XY 0.00718 0.00338 -0.00106 0.00469 -0.00350 154 4XZ -0.00203 -0.00108 -0.00090 -0.00013 0.00308 155 4YZ 0.00738 0.00313 -0.00243 0.00626 -0.00413 156 20 O 1S -0.01644 -0.00227 -0.00292 -0.00340 -0.00914 157 2S 0.03497 0.00675 0.00601 0.00398 0.02174 158 2PX -0.15350 -0.06813 -0.05100 0.14022 0.09579 159 2PY 0.22697 0.06423 0.03337 -0.02717 -0.02452 160 2PZ -0.26597 -0.10499 -0.05287 0.18927 0.11250 161 3S 0.05341 -0.00876 0.01071 0.03364 0.05331 162 3PX -0.11540 -0.05281 -0.03707 0.10662 0.06943 163 3PY 0.15547 0.04749 0.02445 -0.03026 -0.02288 164 3PZ -0.18563 -0.07169 -0.03393 0.12849 0.09045 165 4XX -0.00406 -0.00093 -0.00257 0.00356 -0.00381 166 4YY -0.01147 -0.00269 -0.00179 0.00221 0.00203 167 4ZZ 0.00766 0.00328 0.00291 -0.00935 0.00003 168 4XY 0.00718 0.00338 0.00107 -0.00469 -0.00352 169 4XZ 0.00203 0.00108 -0.00090 -0.00013 -0.00308 170 4YZ 0.00738 0.00313 0.00243 -0.00626 -0.00414 171 21 C 1S 0.00000 0.00000 0.00621 -0.00533 0.00001 172 2S 0.00000 0.00000 -0.01557 0.01467 -0.00005 173 2PX -0.00002 -0.00001 0.00820 -0.05048 -0.00009 174 2PY -0.10184 -0.01921 -0.00001 0.00002 -0.03317 175 2PZ -0.00003 -0.00001 0.06963 -0.11484 -0.00007 176 3S 0.00001 0.00000 -0.01865 0.01754 -0.00005 177 3PX -0.00001 0.00000 -0.00535 -0.01870 0.00004 178 3PY -0.00614 0.00208 0.00000 0.00000 -0.04268 179 3PZ -0.00001 0.00000 0.01476 -0.00289 0.00003 180 4XX 0.00000 0.00000 -0.00654 0.01594 0.00002 181 4YY 0.00000 0.00000 0.00247 -0.00582 -0.00001 182 4ZZ 0.00000 0.00000 0.00532 -0.01158 -0.00001 183 4XY -0.01949 -0.00619 0.00000 0.00000 0.00524 184 4XZ 0.00000 0.00000 -0.00636 0.01628 0.00002 185 4YZ -0.01354 -0.00625 0.00000 0.00000 0.00904 186 22 H 1S -0.00001 -0.00001 0.04453 -0.09020 -0.00009 187 2S -0.00001 -0.00001 0.05239 -0.13788 -0.00011 188 23 H 1S 0.00002 0.00001 -0.04781 0.11330 0.00013 189 2S 0.00002 0.00001 -0.05323 0.13726 0.00025 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 -0.00219 -0.00428 0.00496 -0.02226 -0.02045 2 2S 0.00140 0.01119 -0.00500 0.05013 0.04528 3 2PX -0.15069 -0.16791 -0.23535 -0.01649 0.20724 4 2PY 0.02627 0.03584 0.00130 -0.02030 0.01418 5 2PZ -0.07708 -0.06506 -0.11317 0.04494 0.08049 6 3S -0.00292 0.03431 -0.02698 0.19010 0.19051 7 3PX -0.13421 -0.22112 -0.30303 -0.07393 0.33360 8 3PY 0.02412 0.01847 0.05339 -0.04063 -0.07074 9 3PZ -0.07249 -0.08791 -0.15226 0.11422 0.19132 10 4XX 0.00036 0.00748 -0.00040 -0.00270 -0.00383 11 4YY 0.00006 0.00489 0.00189 0.00451 -0.00762 12 4ZZ -0.00357 -0.01288 0.00098 -0.00463 0.00878 13 4XY -0.00618 -0.01706 0.01282 -0.00414 -0.00699 14 4XZ -0.00250 -0.01013 -0.00095 0.00252 0.00479 15 4YZ -0.00166 -0.00152 0.00534 0.00837 -0.00501 16 2 C 1S -0.00525 0.02784 -0.01039 -0.02659 -0.00914 17 2S 0.01902 -0.04874 0.04249 0.04839 0.02014 18 2PX 0.04913 0.29136 -0.02475 0.03294 -0.17704 19 2PY -0.00449 -0.09085 0.01661 -0.08389 0.07806 20 2PZ 0.01317 0.17753 0.00096 0.01120 -0.12581 21 3S -0.02441 -0.21191 -0.03646 0.33491 0.05978 22 3PX 0.02199 0.37348 -0.04518 0.01900 -0.16832 23 3PY -0.02786 -0.10328 0.00016 -0.14691 0.16182 24 3PZ 0.03427 0.21153 0.02574 0.06732 -0.27867 25 4XX -0.00181 0.00834 -0.00239 -0.00052 -0.01077 26 4YY 0.00211 0.00243 0.00417 -0.00944 0.00295 27 4ZZ -0.00324 -0.00201 -0.00511 0.00484 0.00555 28 4XY 0.00074 -0.00666 -0.00009 -0.00460 0.00761 29 4XZ -0.01063 -0.00181 -0.02051 -0.00521 0.01015 30 4YZ 0.00187 -0.00214 0.00100 -0.00182 0.00536 31 3 C 1S -0.00529 0.02783 0.01042 -0.02659 0.00914 32 2S 0.01909 -0.04868 -0.04255 0.04840 -0.02013 33 2PX 0.04850 0.29127 0.02514 0.03289 0.17706 34 2PY 0.00430 0.09085 0.01674 0.08388 0.07817 35 2PZ 0.01280 0.17752 -0.00072 0.01120 0.12590 36 3S -0.02428 -0.21204 0.03616 0.33488 -0.05962 37 3PX 0.02144 0.37339 0.04574 0.01893 0.16845 38 3PY 0.02778 0.10333 0.00034 0.14691 0.16214 39 3PZ 0.03398 0.21154 -0.02544 0.06730 0.27883 40 4XX -0.00179 0.00834 0.00240 -0.00052 0.01077 41 4YY 0.00211 0.00244 -0.00417 -0.00943 -0.00296 42 4ZZ -0.00325 -0.00201 0.00511 0.00484 -0.00554 43 4XY -0.00073 0.00666 -0.00008 0.00460 0.00762 44 4XZ -0.01065 -0.00183 0.02051 -0.00521 -0.01015 45 4YZ -0.00187 0.00214 0.00101 0.00181 0.00537 46 4 C 1S -0.00218 -0.00427 -0.00497 -0.02227 0.02041 47 2S 0.00136 0.01118 0.00502 0.05014 -0.04523 48 2PX -0.15116 -0.16817 0.23513 -0.01644 -0.20735 49 2PY -0.02635 -0.03586 0.00128 0.02029 0.01418 50 2PZ -0.07718 -0.06519 0.11309 0.04496 -0.08041 51 3S -0.00284 0.03434 0.02705 0.19017 -0.19004 52 3PX -0.13453 -0.22144 0.30271 -0.07386 -0.33377 53 3PY -0.02429 -0.01856 0.05340 0.04061 -0.07065 54 3PZ -0.07265 -0.08811 0.15215 0.11424 -0.19118 55 4XX 0.00035 0.00747 0.00040 -0.00271 0.00383 56 4YY 0.00005 0.00489 -0.00188 0.00452 0.00762 57 4ZZ -0.00355 -0.01288 -0.00099 -0.00463 -0.00879 58 4XY 0.00614 0.01705 0.01284 0.00414 -0.00698 59 4XZ -0.00248 -0.01012 0.00093 0.00252 -0.00479 60 4YZ 0.00165 0.00152 0.00534 -0.00837 -0.00502 61 5 H 1S -0.00757 -0.01417 0.01208 -0.03186 -0.00851 62 2S 0.00216 -0.06327 0.04531 -0.35473 -0.11138 63 6 H 1S -0.00750 -0.01415 -0.01210 -0.03186 0.00846 64 2S 0.00228 -0.06321 -0.04542 -0.35475 0.11073 65 7 C 1S 0.01540 -0.01255 0.04274 -0.03552 0.05562 66 2S -0.03326 0.03739 -0.09864 0.06354 -0.11712 67 2PX -0.21265 0.14653 -0.24248 0.04333 -0.03567 68 2PY 0.06651 -0.02709 0.07027 -0.09703 0.10482 69 2PZ -0.19744 0.09837 -0.23154 -0.07921 -0.06545 70 3S -0.09782 0.00915 -0.17561 0.51317 -0.46461 71 3PX -0.16610 0.16592 -0.37673 0.06514 -0.12652 72 3PY 0.06754 -0.00726 0.21106 -0.23041 0.23586 73 3PZ -0.13181 0.10730 -0.15604 -0.15867 0.12279 74 4XX -0.01090 -0.00742 0.00213 -0.00634 0.01314 75 4YY -0.00048 0.00140 0.00199 0.00073 -0.00059 76 4ZZ 0.01341 -0.00072 0.00930 -0.00030 0.00214 77 4XY -0.01253 0.01299 0.01125 0.00282 -0.00084 78 4XZ -0.00001 -0.01007 -0.00280 0.00198 -0.00469 79 4YZ -0.01077 0.01228 0.01050 -0.00173 -0.00008 80 8 C 1S 0.01540 -0.01250 -0.04277 -0.03551 -0.05560 81 2S -0.03326 0.03725 0.09870 0.06351 0.11706 82 2PX -0.21248 0.14618 0.24268 0.04329 0.03581 83 2PY -0.06646 0.02696 0.07025 0.09702 0.10480 84 2PZ -0.19724 0.09804 0.23169 -0.07924 0.06532 85 3S -0.09782 0.00898 0.17570 0.51314 0.46443 86 3PX -0.16597 0.16543 0.37696 0.06510 0.12696 87 3PY -0.06740 0.00694 0.21104 0.23036 0.23576 88 3PZ -0.13170 0.10713 0.15624 -0.15866 -0.12307 89 4XX -0.01088 -0.00742 -0.00215 -0.00634 -0.01313 90 4YY -0.00048 0.00140 -0.00199 0.00073 0.00057 91 4ZZ 0.01340 -0.00071 -0.00930 -0.00029 -0.00214 92 4XY 0.01254 -0.01300 0.01123 -0.00282 -0.00086 93 4XZ 0.00001 -0.01008 0.00279 0.00198 0.00467 94 4YZ 0.01079 -0.01229 0.01048 0.00173 -0.00007 95 9 H 1S 0.01002 0.01405 -0.01525 -0.03105 -0.01496 96 2S 0.00745 0.06147 -0.01897 -0.43942 -0.14727 97 10 H 1S 0.01007 0.01404 0.01526 -0.03105 0.01494 98 2S 0.00756 0.06144 0.01900 -0.43942 0.14682 99 11 C 1S -0.01254 -0.00844 0.01422 -0.05479 -0.02467 100 2S 0.02811 0.02009 -0.02698 0.07344 0.02677 101 2PX -0.04454 -0.00880 0.03098 0.02565 -0.01209 102 2PY 0.00136 -0.02693 -0.02456 0.06471 0.06936 103 2PZ 0.02167 0.03619 -0.04193 -0.12766 -0.00595 104 3S 0.08943 0.04320 -0.14073 0.81088 0.42642 105 3PX -0.00906 -0.01206 0.00959 0.07735 0.03832 106 3PY 0.02197 -0.01265 -0.05870 0.21439 0.15333 107 3PZ 0.02242 0.05440 -0.04665 -0.32515 -0.01133 108 4XX -0.00534 -0.01872 0.00158 -0.00644 -0.01585 109 4YY 0.00279 0.00610 -0.00037 0.00135 0.00291 110 4ZZ 0.00247 0.01172 0.00115 -0.00734 0.00782 111 4XY -0.00044 0.00089 0.00141 -0.00219 0.00004 112 4XZ -0.00228 0.00405 0.00232 -0.00375 0.00003 113 4YZ 0.00074 0.00588 -0.00173 0.00940 0.00334 114 12 H 1S 0.00760 0.02714 0.00751 -0.03821 0.02883 115 2S -0.00178 0.12741 0.03835 -0.80723 -0.15979 116 13 H 1S -0.02459 -0.05664 0.00833 -0.01520 -0.06043 117 2S -0.07214 -0.17615 0.08786 -0.38034 -0.35252 118 14 C 1S -0.01252 -0.00842 -0.01423 -0.05479 0.02470 119 2S 0.02808 0.02006 0.02701 0.07344 -0.02681 120 2PX -0.04468 -0.00878 -0.03097 0.02567 0.01190 121 2PY -0.00140 0.02693 -0.02454 -0.06470 0.06938 122 2PZ 0.02154 0.03613 0.04197 -0.12766 0.00592 123 3S 0.08921 0.04303 0.14081 0.81086 -0.42697 124 3PX -0.00912 -0.01205 -0.00956 0.07745 -0.03892 125 3PY -0.02203 0.01266 -0.05869 -0.21437 0.15353 126 3PZ 0.02236 0.05433 0.04672 -0.32518 0.01122 127 4XX -0.00537 -0.01872 -0.00161 -0.00644 0.01586 128 4YY 0.00279 0.00610 0.00038 0.00136 -0.00291 129 4ZZ 0.00250 0.01172 -0.00114 -0.00734 -0.00782 130 4XY 0.00045 -0.00090 0.00141 0.00219 0.00003 131 4XZ -0.00228 0.00405 -0.00231 -0.00375 -0.00002 132 4YZ -0.00074 -0.00588 -0.00174 -0.00940 0.00333 133 15 H 1S 0.00776 0.02716 -0.00747 -0.03820 -0.02887 134 2S -0.00152 0.12743 -0.03817 -0.80724 0.15969 135 16 H 1S -0.02478 -0.05664 -0.00841 -0.01521 0.06051 136 2S -0.07237 -0.17610 -0.08815 -0.38039 0.35353 137 17 H 1S 0.02324 0.03624 -0.06702 -0.00914 -0.03293 138 2S 0.06020 0.08377 -0.30324 -0.61192 -0.55396 139 18 H 1S 0.02338 0.03614 0.06707 -0.00914 0.03289 140 2S 0.06042 0.08332 0.30333 -0.61203 0.55364 141 19 O 1S -0.00444 -0.00329 -0.01725 0.00686 -0.04751 142 2S 0.00539 0.00135 0.03497 -0.00027 0.08543 143 2PX 0.15730 -0.03353 0.06694 -0.00119 -0.01750 144 2PY -0.01651 0.00728 0.04076 -0.00029 0.07655 145 2PZ 0.22778 -0.08496 0.07221 0.02207 0.01637 146 3S 0.01807 0.05568 0.11891 -0.09215 0.47774 147 3PX 0.13757 -0.02804 0.04510 -0.01875 -0.09588 148 3PY -0.02173 0.02278 0.03197 0.02889 0.13529 149 3PZ 0.18742 -0.09197 0.10358 0.03330 0.01795 150 4XX -0.00402 0.00162 -0.01856 0.00836 -0.02608 151 4YY -0.00253 -0.00199 -0.00010 0.00586 -0.00080 152 4ZZ -0.00012 -0.00503 0.00518 0.00616 -0.01172 153 4XY 0.00711 0.00057 0.00178 -0.00427 -0.00240 154 4XZ 0.00123 0.00053 0.00292 -0.00252 0.00577 155 4YZ 0.00380 0.00122 0.00134 0.00270 -0.00049 156 20 O 1S -0.00441 -0.00332 0.01725 0.00685 0.04747 157 2S 0.00533 0.00141 -0.03497 -0.00025 -0.08536 158 2PX 0.15707 -0.03341 -0.06698 -0.00118 0.01768 159 2PY 0.01652 -0.00732 0.04078 0.00027 0.07653 160 2PZ 0.22753 -0.08485 -0.07230 0.02209 -0.01647 161 3S 0.01794 0.05584 -0.11883 -0.09206 -0.47718 162 3PX 0.13741 -0.02796 -0.04513 -0.01875 0.09615 163 3PY 0.02175 -0.02280 0.03197 -0.02892 0.13519 164 3PZ 0.18721 -0.09182 -0.10368 0.03331 -0.01811 165 4XX -0.00401 0.00159 0.01856 0.00835 0.02607 166 4YY -0.00254 -0.00198 0.00010 0.00586 0.00079 167 4ZZ -0.00013 -0.00502 -0.00519 0.00616 0.01170 168 4XY -0.00710 -0.00057 0.00178 0.00426 -0.00240 169 4XZ 0.00123 0.00053 -0.00291 -0.00251 -0.00577 170 4YZ -0.00379 -0.00122 0.00133 -0.00270 -0.00049 171 21 C 1S 0.01259 -0.00371 0.00000 -0.02419 -0.00001 172 2S -0.03917 0.00991 0.00001 0.04995 0.00002 173 2PX -0.06702 -0.00601 -0.00001 0.00156 -0.00001 174 2PY 0.00005 -0.00008 0.11146 -0.00003 0.23887 175 2PZ -0.05253 -0.01232 0.00000 0.01880 0.00001 176 3S -0.04481 0.01627 0.00002 0.26736 0.00008 177 3PX 0.03407 -0.01239 -0.00002 -0.04382 -0.00005 178 3PY 0.00005 -0.00013 0.17672 -0.00006 0.61362 179 3PZ 0.02467 0.02002 0.00004 0.07382 0.00004 180 4XX 0.01672 -0.00258 0.00000 -0.00503 0.00000 181 4YY -0.00646 0.00086 0.00000 -0.00201 -0.00001 182 4ZZ -0.00608 -0.00135 0.00000 -0.00245 0.00000 183 4XY -0.00001 0.00001 -0.01134 0.00000 -0.01855 184 4XZ 0.01481 -0.00080 0.00000 0.00336 0.00000 185 4YZ -0.00001 0.00000 -0.00442 0.00000 0.00613 186 22 H 1S -0.06857 0.00370 0.00000 -0.01650 0.00002 187 2S -0.08049 0.00135 -0.00002 -0.25694 0.00000 188 23 H 1S 0.10157 -0.00931 0.00000 -0.00452 0.00001 189 2S 0.20300 -0.04210 -0.00002 -0.11438 -0.00008 46 47 48 49 50 V V V V V Eigenvalues -- 0.11267 0.11966 0.13058 0.13383 0.14567 1 1 C 1S -0.01381 0.03206 0.02476 -0.00694 -0.00057 2 2S 0.02300 -0.05364 -0.02326 0.00429 -0.01579 3 2PX -0.05355 0.07394 0.01656 0.10048 -0.15145 4 2PY -0.00399 0.07120 0.06045 -0.03905 -0.03840 5 2PZ 0.02438 -0.10532 -0.09651 0.08502 -0.01515 6 3S 0.16801 -0.61257 -0.45494 0.15535 0.26859 7 3PX -0.08537 0.08283 0.08794 0.10820 -0.25757 8 3PY -0.04179 0.22516 0.11320 0.09500 0.04993 9 3PZ 0.04893 -0.22023 -0.18111 0.22136 -0.04463 10 4XX -0.00471 0.00251 0.00057 -0.00572 -0.00037 11 4YY 0.00299 -0.00255 0.00086 0.00496 0.00778 12 4ZZ -0.00339 0.00061 0.00589 -0.00181 -0.00591 13 4XY -0.00455 0.00162 0.00314 -0.00428 0.00404 14 4XZ -0.00051 -0.00226 -0.00385 0.00437 -0.00349 15 4YZ 0.00342 -0.00884 -0.01198 -0.00337 0.00296 16 2 C 1S 0.00074 0.01271 0.02935 -0.03310 -0.00926 17 2S -0.00707 -0.02571 -0.04278 0.04899 0.01062 18 2PX -0.00267 0.05739 0.02779 -0.10618 0.09214 19 2PY -0.03241 0.05328 0.09089 -0.11851 -0.12977 20 2PZ 0.02946 0.00672 0.00145 -0.06318 0.06817 21 3S 0.03736 -0.13511 -0.42129 0.60958 0.21400 22 3PX 0.10429 0.09749 0.04143 -0.20835 0.16329 23 3PY -0.12205 0.17208 0.28539 -0.36156 -0.41649 24 3PZ 0.08990 0.14256 0.09922 0.05637 0.06571 25 4XX -0.00615 -0.00253 -0.00027 -0.01177 0.00480 26 4YY 0.00152 0.00837 0.01058 0.00098 -0.00370 27 4ZZ 0.00385 -0.00194 -0.00336 0.00411 -0.00137 28 4XY -0.00611 -0.00278 -0.00006 0.00300 -0.01106 29 4XZ 0.00072 0.00457 0.00074 -0.00075 -0.00220 30 4YZ -0.00886 0.00204 0.00200 -0.00261 -0.00308 31 3 C 1S 0.00072 0.01271 0.02932 0.03313 0.00925 32 2S -0.00704 -0.02570 -0.04274 -0.04903 -0.01061 33 2PX -0.00289 0.05740 0.02769 0.10625 -0.09218 34 2PY 0.03231 -0.05326 -0.09079 -0.11860 -0.12973 35 2PZ 0.02931 0.00671 0.00136 0.06316 -0.06820 36 3S 0.03739 -0.13514 -0.42070 -0.61007 -0.21396 37 3PX 0.10402 0.09751 0.04125 0.20853 -0.16337 38 3PY 0.12191 -0.17204 -0.28513 -0.36185 -0.41637 39 3PZ 0.08962 0.14258 0.09923 -0.05628 -0.06588 40 4XX -0.00617 -0.00254 -0.00029 0.01177 -0.00480 41 4YY 0.00152 0.00837 0.01058 -0.00097 0.00369 42 4ZZ 0.00386 -0.00194 -0.00336 -0.00412 0.00137 43 4XY 0.00610 0.00277 0.00005 0.00301 -0.01106 44 4XZ 0.00074 0.00457 0.00074 0.00075 0.00220 45 4YZ 0.00885 -0.00204 -0.00200 -0.00261 -0.00308 46 4 C 1S -0.01384 0.03206 0.02475 0.00697 0.00054 47 2S 0.02305 -0.05366 -0.02324 -0.00432 0.01582 48 2PX -0.05329 0.07397 0.01670 -0.10044 0.15144 49 2PY 0.00396 -0.07116 -0.06038 -0.03913 -0.03830 50 2PZ 0.02448 -0.10533 -0.09643 -0.08514 0.01525 51 3S 0.16824 -0.61263 -0.45485 -0.15596 -0.26804 52 3PX -0.08495 0.08291 0.08809 -0.10813 0.25749 53 3PY 0.04182 -0.22513 -0.11320 0.09486 0.05017 54 3PZ 0.04916 -0.22034 -0.18086 -0.22155 0.04484 55 4XX -0.00472 0.00251 0.00057 0.00572 0.00037 56 4YY 0.00298 -0.00255 0.00086 -0.00496 -0.00778 57 4ZZ -0.00338 0.00061 0.00590 0.00181 0.00591 58 4XY 0.00455 -0.00162 -0.00314 -0.00428 0.00404 59 4XZ -0.00050 -0.00226 -0.00385 -0.00438 0.00349 60 4YZ -0.00342 0.00884 0.01199 -0.00336 0.00294 61 5 H 1S -0.01648 0.02479 0.05260 -0.01453 0.00737 62 2S -0.24863 0.75341 0.57834 -0.20800 -0.19691 63 6 H 1S -0.01648 0.02479 0.05258 0.01458 -0.00741 64 2S -0.24874 0.75351 0.57810 0.20873 0.19625 65 7 C 1S 0.01699 -0.01316 -0.02089 -0.03535 -0.01288 66 2S -0.05182 -0.00330 0.05862 0.04744 0.00546 67 2PX 0.07322 0.07871 -0.02208 -0.07281 0.23357 68 2PY -0.01144 -0.06190 -0.03943 -0.01373 0.04608 69 2PZ -0.13403 -0.06383 -0.05422 -0.17415 0.03259 70 3S -0.07499 0.37143 0.28495 0.59119 0.34536 71 3PX 0.28641 0.09069 0.03613 0.03206 0.45475 72 3PY 0.05781 -0.19983 -0.14671 -0.06464 0.27761 73 3PZ -0.28790 -0.14001 -0.10131 -0.54852 -0.03755 74 4XX 0.00934 0.00469 -0.00385 -0.00530 -0.00112 75 4YY -0.01160 -0.00397 0.00450 -0.00683 -0.00836 76 4ZZ -0.00143 -0.00129 -0.00116 0.00195 -0.00141 77 4XY 0.01160 0.00848 0.00100 0.00189 -0.01042 78 4XZ -0.01183 -0.00135 0.00165 0.00686 -0.00628 79 4YZ -0.01586 -0.00298 -0.00352 0.00923 0.00108 80 8 C 1S 0.01705 -0.01318 -0.02093 0.03533 0.01291 81 2S -0.05197 -0.00327 0.05867 -0.04738 -0.00551 82 2PX 0.07319 0.07864 -0.02226 0.07284 -0.23357 83 2PY 0.01135 0.06195 0.03950 -0.01372 0.04602 84 2PZ -0.13411 -0.06384 -0.05439 0.17409 -0.03257 85 3S -0.07551 0.37159 0.28549 -0.59081 -0.34565 86 3PX 0.28626 0.09064 0.03598 -0.03195 -0.45479 87 3PY -0.05801 0.19996 0.14696 -0.06457 0.27751 88 3PZ -0.28776 -0.14007 -0.10182 0.54838 0.03765 89 4XX 0.00936 0.00469 -0.00385 0.00530 0.00113 90 4YY -0.01160 -0.00397 0.00450 0.00683 0.00836 91 4ZZ -0.00142 -0.00129 -0.00116 -0.00194 0.00141 92 4XY -0.01160 -0.00848 -0.00101 0.00188 -0.01042 93 4XZ -0.01184 -0.00135 0.00166 -0.00687 0.00628 94 4YZ 0.01586 0.00297 0.00351 0.00923 0.00109 95 9 H 1S 0.00518 0.02758 0.03574 -0.00924 0.03400 96 2S -0.10580 0.34560 0.59635 0.69772 0.59343 97 10 H 1S 0.00515 0.02758 0.03573 0.00929 -0.03402 98 2S -0.10598 0.34564 0.59695 -0.69704 -0.59370 99 11 C 1S 0.03720 -0.00445 -0.00016 0.05303 -0.02589 100 2S -0.04923 -0.01088 -0.00889 -0.03704 0.04200 101 2PX -0.17726 -0.00090 -0.01685 -0.01343 -0.01038 102 2PY -0.03670 0.02101 0.01265 -0.02201 -0.05922 103 2PZ -0.04590 -0.09443 -0.03338 0.12570 -0.01917 104 3S -0.60879 0.20227 0.10676 -1.06609 0.28419 105 3PX -0.50181 -0.04402 -0.02172 -0.03297 0.03861 106 3PY -0.19724 0.09722 0.09885 0.15697 -0.09421 107 3PZ -0.14722 -0.25356 -0.09454 0.36931 -0.11246 108 4XX 0.01385 -0.00187 -0.00191 -0.00088 0.00496 109 4YY -0.00151 -0.00271 -0.00097 0.00549 -0.01002 110 4ZZ -0.00322 0.00172 0.00366 0.00710 -0.00089 111 4XY 0.01043 0.00389 0.00526 0.00117 -0.00028 112 4XZ 0.00728 -0.00488 -0.00346 0.00107 -0.00276 113 4YZ 0.00676 0.00112 -0.00426 0.00405 -0.00401 114 12 H 1S -0.03529 -0.01133 0.00883 0.01976 -0.00599 115 2S -0.07440 -0.38636 -0.13343 0.74410 -0.17935 116 13 H 1S 0.07125 0.00058 -0.00344 -0.00930 0.01437 117 2S 1.01704 0.05259 0.03050 0.22171 -0.01456 118 14 C 1S 0.03717 -0.00443 -0.00009 -0.05304 0.02589 119 2S -0.04920 -0.01090 -0.00895 0.03703 -0.04199 120 2PX -0.17728 -0.00089 -0.01684 0.01343 0.01039 121 2PY 0.03657 -0.02100 -0.01262 -0.02200 -0.05923 122 2PZ -0.04590 -0.09439 -0.03323 -0.12577 0.01924 123 3S -0.60842 0.20190 0.10544 1.06637 -0.28419 124 3PX -0.50176 -0.04395 -0.02173 0.03292 -0.03859 125 3PY 0.19688 -0.09724 -0.09901 0.15687 -0.09422 126 3PZ -0.14726 -0.25349 -0.09410 -0.36947 0.11269 127 4XX 0.01384 -0.00187 -0.00191 0.00087 -0.00496 128 4YY -0.00151 -0.00271 -0.00097 -0.00549 0.01002 129 4ZZ -0.00321 0.00172 0.00367 -0.00709 0.00089 130 4XY -0.01042 -0.00389 -0.00526 0.00117 -0.00028 131 4XZ 0.00728 -0.00488 -0.00346 -0.00108 0.00277 132 4YZ -0.00676 -0.00113 0.00426 0.00406 -0.00401 133 15 H 1S -0.03525 -0.01133 0.00885 -0.01976 0.00600 134 2S -0.07458 -0.38616 -0.13251 -0.74445 0.17963 135 16 H 1S 0.07118 0.00058 -0.00345 0.00929 -0.01436 136 2S 1.01659 0.05266 0.03079 -0.22171 0.01447 137 17 H 1S -0.03775 -0.02223 -0.01708 0.00599 -0.02943 138 2S -0.34326 -0.46940 -0.37548 0.74620 0.07270 139 18 H 1S -0.03779 -0.02221 -0.01705 -0.00601 0.02941 140 2S -0.34389 -0.46920 -0.37468 -0.74672 -0.07244 141 19 O 1S -0.03290 0.00748 0.00925 -0.00800 -0.05793 142 2S 0.05652 -0.01014 0.00263 0.00241 0.07429 143 2PX 0.12577 0.01537 0.02865 -0.00989 -0.13112 144 2PY 0.04958 -0.00426 -0.01260 -0.00672 0.06187 145 2PZ -0.06871 -0.01380 0.01905 0.07476 -0.03528 146 3S 0.38792 -0.12533 -0.13494 0.15739 0.76427 147 3PX 0.19666 -0.02370 0.07919 0.00788 -0.18147 148 3PY 0.11226 -0.04961 -0.01407 0.04135 0.18690 149 3PZ -0.12237 0.03475 0.01687 0.09062 -0.05702 150 4XX -0.01109 -0.00457 0.01304 -0.00730 -0.02296 151 4YY -0.00518 -0.00069 0.00834 -0.00478 -0.01415 152 4ZZ -0.00699 0.00600 0.00610 0.00119 -0.02700 153 4XY 0.00013 -0.00287 -0.00520 0.00270 -0.00142 154 4XZ -0.00288 0.00842 -0.00776 -0.00385 0.00706 155 4YZ -0.00217 0.00110 -0.00023 -0.00053 -0.00258 156 20 O 1S -0.03296 0.00751 0.00928 0.00801 0.05795 157 2S 0.05663 -0.01018 0.00258 -0.00241 -0.07432 158 2PX 0.12575 0.01541 0.02872 0.00995 0.13117 159 2PY -0.04965 0.00430 0.01265 -0.00667 0.06197 160 2PZ -0.06871 -0.01379 0.01914 -0.07477 0.03529 161 3S 0.38848 -0.12558 -0.13526 -0.15755 -0.76442 162 3PX 0.19655 -0.02363 0.07931 -0.00777 0.18154 163 3PY -0.11239 0.04967 0.01415 0.04142 0.18709 164 3PZ -0.12237 0.03477 0.01698 -0.09062 0.05708 165 4XX -0.01112 -0.00456 0.01305 0.00731 0.02295 166 4YY -0.00518 -0.00069 0.00834 0.00479 0.01415 167 4ZZ -0.00700 0.00601 0.00611 -0.00119 0.02700 168 4XY -0.00013 0.00287 0.00520 0.00271 -0.00141 169 4XZ -0.00288 0.00842 -0.00777 0.00385 -0.00705 170 4YZ 0.00217 -0.00110 0.00023 -0.00053 -0.00259 171 21 C 1S -0.00315 0.05426 -0.10124 -0.00006 -0.00001 172 2S 0.00894 -0.08096 0.16328 0.00009 0.00002 173 2PX -0.02711 0.21288 -0.19172 -0.00008 0.00006 174 2PY -0.00014 0.00008 0.00007 0.06788 0.30590 175 2PZ 0.00865 -0.11613 0.03260 0.00001 -0.00007 176 3S 0.06191 -0.97823 1.52631 0.00080 0.00001 177 3PX -0.06518 0.63871 -0.48914 -0.00020 0.00012 178 3PY -0.00038 0.00020 0.00019 0.13632 0.81912 179 3PZ 0.00306 -0.33933 0.10245 0.00002 -0.00018 180 4XX 0.00534 0.00213 -0.00664 0.00000 0.00000 181 4YY -0.00963 -0.00042 -0.00382 0.00000 -0.00001 182 4ZZ 0.00111 0.01277 -0.01111 -0.00001 0.00001 183 4XY 0.00001 -0.00001 0.00000 -0.00363 -0.01786 184 4XZ -0.00215 0.00488 -0.00182 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00001 -0.00546 0.01539 186 22 H 1S 0.02152 0.03789 -0.05358 -0.00002 0.00004 187 2S -0.02142 1.01234 -0.97495 -0.00044 0.00035 188 23 H 1S 0.01688 0.04023 -0.03994 -0.00002 -0.00001 189 2S -0.05526 0.79017 -1.13745 -0.00058 -0.00010 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 -0.01638 0.04661 -0.02168 0.03045 0.01231 2 2S 0.01240 -0.06369 0.03374 -0.05120 0.02408 3 2PX -0.00407 0.02734 0.01577 -0.00051 0.03376 4 2PY -0.03526 0.05574 -0.03174 0.05933 0.03639 5 2PZ 0.00914 -0.08511 0.00803 -0.01686 -0.08871 6 3S 0.32960 -0.90820 0.32233 -0.52048 -0.33697 7 3PX -0.03708 0.13769 0.00773 -0.02152 0.08920 8 3PY -0.18544 0.00757 -0.13127 0.27120 0.13043 9 3PZ 0.03147 -0.32732 -0.01864 -0.02347 -0.14680 10 4XX 0.00118 0.00186 -0.00200 0.00391 -0.00258 11 4YY 0.00075 -0.00015 0.00345 -0.00457 0.00515 12 4ZZ -0.00532 0.00327 -0.00519 0.00215 0.00789 13 4XY -0.00299 -0.00102 0.00294 -0.00875 0.00001 14 4XZ 0.00500 -0.00126 0.00382 -0.00319 -0.00111 15 4YZ -0.00219 0.00103 0.00154 0.00329 -0.00655 16 2 C 1S 0.03873 0.02868 0.04018 -0.07654 -0.01477 17 2S -0.06677 -0.02473 -0.04741 0.08627 0.03579 18 2PX 0.03501 0.03407 -0.03627 0.11278 0.00573 19 2PY 0.03045 0.14312 0.00846 -0.06730 -0.00104 20 2PZ 0.03284 0.05732 0.03561 -0.03701 -0.02022 21 3S -0.55874 -0.61123 -0.70239 1.35210 0.17879 22 3PX 0.14147 0.00651 -0.14236 0.28869 0.01987 23 3PY 0.20831 0.38633 -0.01334 -0.23078 -0.04169 24 3PZ 0.02797 0.27402 0.09443 -0.10197 -0.03391 25 4XX 0.00245 0.00114 0.00290 -0.00415 -0.01038 26 4YY -0.00340 0.00825 -0.00323 -0.00281 0.00551 27 4ZZ 0.00726 -0.00250 0.00819 -0.00836 0.00292 28 4XY -0.00531 0.00537 -0.00067 -0.00396 -0.00650 29 4XZ -0.00003 0.00373 -0.00169 0.00431 -0.00254 30 4YZ -0.00441 -0.00873 -0.00159 0.00135 0.00439 31 3 C 1S 0.03875 -0.02857 0.04020 -0.07656 -0.01478 32 2S -0.06678 0.02460 -0.04742 0.08629 0.03578 33 2PX 0.03504 -0.03423 -0.03622 0.11275 0.00568 34 2PY -0.03050 0.14308 -0.00861 0.06741 0.00100 35 2PZ 0.03284 -0.05721 0.03568 -0.03704 -0.02030 36 3S -0.55896 0.60941 -0.70301 1.35248 0.17895 37 3PX 0.14160 -0.00697 -0.14230 0.28868 0.01988 38 3PY -0.20848 0.38624 0.01301 0.23106 0.04150 39 3PZ 0.02794 -0.27376 0.09476 -0.10217 -0.03407 40 4XX 0.00245 -0.00113 0.00290 -0.00415 -0.01038 41 4YY -0.00340 -0.00825 -0.00322 -0.00281 0.00551 42 4ZZ 0.00726 0.00252 0.00818 -0.00836 0.00292 43 4XY 0.00531 0.00537 0.00067 0.00396 0.00650 44 4XZ -0.00003 -0.00373 -0.00169 0.00430 -0.00254 45 4YZ 0.00441 -0.00873 0.00160 -0.00135 -0.00440 46 4 C 1S -0.01638 -0.04667 -0.02162 0.03042 0.01228 47 2S 0.01240 0.06377 0.03365 -0.05115 0.02413 48 2PX -0.00408 -0.02735 0.01577 -0.00051 0.03381 49 2PY 0.03524 0.05582 0.03168 -0.05929 -0.03637 50 2PZ 0.00913 0.08519 0.00792 -0.01682 -0.08868 51 3S 0.32950 0.90917 0.32133 -0.51981 -0.33660 52 3PX -0.03713 -0.13771 0.00785 -0.02155 0.08919 53 3PY 0.18545 0.00790 0.13119 -0.27118 -0.13038 54 3PZ 0.03146 0.32739 -0.01909 -0.02333 -0.14663 55 4XX 0.00118 -0.00187 -0.00199 0.00390 -0.00258 56 4YY 0.00075 0.00016 0.00345 -0.00456 0.00514 57 4ZZ -0.00531 -0.00328 -0.00518 0.00215 0.00789 58 4XY 0.00299 -0.00103 -0.00294 0.00875 -0.00001 59 4XZ 0.00500 0.00127 0.00382 -0.00319 -0.00111 60 4YZ 0.00219 0.00103 -0.00154 -0.00329 0.00656 61 5 H 1S -0.01828 0.02212 -0.02948 0.00958 0.03452 62 2S -0.27532 0.76839 -0.23514 0.42954 0.44794 63 6 H 1S -0.01828 -0.02218 -0.02945 0.00957 0.03451 64 2S -0.27523 -0.76923 -0.23415 0.42902 0.44763 65 7 C 1S -0.02120 -0.02739 0.02076 -0.01730 0.04300 66 2S 0.02515 0.04253 -0.03572 0.03953 -0.05437 67 2PX -0.12082 0.09877 0.00913 -0.09297 0.01694 68 2PY -0.00869 0.01007 0.05547 -0.04543 0.10257 69 2PZ 0.16116 -0.05954 0.03298 0.09170 0.04332 70 3S 0.21093 0.33511 -0.28862 0.16527 -0.81949 71 3PX -0.35942 0.27948 0.01166 -0.20647 0.05431 72 3PY -0.10540 -0.11296 0.09444 -0.06274 0.41620 73 3PZ 0.38982 -0.26562 0.08960 0.18697 0.11583 74 4XX -0.00626 -0.00131 0.00264 -0.00337 0.00194 75 4YY 0.00762 -0.01122 0.00107 0.00394 -0.00580 76 4ZZ -0.00235 -0.00077 0.00288 0.00047 0.00629 77 4XY -0.00772 -0.00446 -0.00418 -0.01255 0.00308 78 4XZ 0.01025 -0.00107 -0.00210 0.00986 -0.01423 79 4YZ 0.02215 0.00517 -0.00051 0.01221 0.00690 80 8 C 1S -0.02123 0.02742 0.02072 -0.01729 0.04298 81 2S 0.02519 -0.04260 -0.03565 0.03952 -0.05432 82 2PX -0.12082 -0.09871 0.00933 -0.09307 0.01678 83 2PY 0.00867 0.00997 -0.05551 0.04541 -0.10253 84 2PZ 0.16114 0.05953 0.03287 0.09173 0.04323 85 3S 0.21114 -0.33538 -0.28786 0.16519 -0.81927 86 3PX -0.35936 -0.27941 0.01222 -0.20671 0.05408 87 3PY 0.10539 -0.11308 -0.09448 0.06260 -0.41602 88 3PZ 0.38974 0.26560 0.08913 0.18711 0.11560 89 4XX -0.00626 0.00131 0.00263 -0.00337 0.00193 90 4YY 0.00762 0.01122 0.00105 0.00395 -0.00580 91 4ZZ -0.00236 0.00078 0.00288 0.00047 0.00628 92 4XY 0.00771 -0.00446 0.00419 0.01254 -0.00309 93 4XZ 0.01025 0.00107 -0.00210 0.00986 -0.01422 94 4YZ -0.02215 0.00518 0.00050 -0.01221 -0.00691 95 9 H 1S -0.00681 -0.05584 -0.00733 -0.03202 0.01182 96 2S 0.46495 -0.83227 0.25748 -0.79425 -0.11473 97 10 H 1S -0.00682 0.05584 -0.00739 -0.03198 0.01182 98 2S 0.46464 0.83313 0.25674 -0.79376 -0.11488 99 11 C 1S -0.01073 0.05981 -0.03686 0.05102 -0.02083 100 2S 0.02906 -0.06966 0.04100 -0.04431 0.02057 101 2PX -0.16780 -0.00206 -0.04062 -0.02765 0.05105 102 2PY -0.01198 0.10936 0.04030 -0.07645 0.03208 103 2PZ -0.10787 0.02453 -0.01902 -0.08717 -0.11751 104 3S 0.06425 -0.95693 0.64418 -0.93499 0.43578 105 3PX -0.38124 0.03142 -0.19232 0.05676 0.02922 106 3PY 0.08429 0.26345 0.22649 -0.37224 0.11606 107 3PZ -0.28506 0.12416 0.02802 -0.31529 -0.33908 108 4XX -0.00287 -0.00092 -0.00004 0.00075 0.00761 109 4YY 0.00658 0.01881 0.00259 -0.00025 -0.00021 110 4ZZ -0.00427 -0.00749 -0.00907 0.01053 -0.01174 111 4XY 0.00817 -0.00199 0.00512 -0.00842 -0.00144 112 4XZ 0.00306 0.00185 0.00619 -0.00950 -0.00332 113 4YZ 0.00235 0.00191 -0.00158 0.01452 0.00900 114 12 H 1S -0.02559 -0.01224 -0.01913 -0.01216 -0.06974 115 2S -0.58070 0.31272 -0.39303 0.08073 -0.69649 116 13 H 1S 0.02812 0.00544 0.02550 -0.01990 0.02741 117 2S 0.59857 0.20431 -0.04752 0.47488 -0.12219 118 14 C 1S -0.01073 -0.05989 -0.03682 0.05097 -0.02088 119 2S 0.02905 0.06974 0.04096 -0.04426 0.02061 120 2PX -0.16780 0.00195 -0.04060 -0.02767 0.05112 121 2PY 0.01195 0.10928 -0.04042 0.07654 -0.03202 122 2PZ -0.10788 -0.02445 -0.01901 -0.08719 -0.11753 123 3S 0.06428 0.95820 0.64340 -0.93409 0.43683 124 3PX -0.38121 -0.03185 -0.19214 0.05662 0.02933 125 3PY -0.08426 0.26297 -0.22683 0.37255 -0.11573 126 3PZ -0.28505 -0.12381 0.02807 -0.31534 -0.33906 127 4XX -0.00287 0.00091 -0.00004 0.00075 0.00760 128 4YY 0.00658 -0.01881 0.00261 -0.00025 -0.00021 129 4ZZ -0.00428 0.00748 -0.00908 0.01053 -0.01175 130 4XY -0.00818 -0.00199 -0.00512 0.00842 0.00144 131 4XZ 0.00306 -0.00184 0.00619 -0.00950 -0.00332 132 4YZ -0.00235 0.00192 0.00158 -0.01453 -0.00900 133 15 H 1S -0.02560 0.01224 -0.01915 -0.01216 -0.06974 134 2S -0.58065 -0.31315 -0.39281 0.08040 -0.69670 135 16 H 1S 0.02813 -0.00540 0.02550 -0.01989 0.02740 136 2S 0.59862 -0.20452 -0.04746 0.47473 -0.12260 137 17 H 1S 0.04300 0.00061 0.02144 0.03365 0.07033 138 2S 0.39994 0.48715 0.35831 0.12605 0.82426 139 18 H 1S 0.04301 -0.00062 0.02143 0.03366 0.07037 140 2S 0.40017 -0.48694 0.35909 0.12581 0.82463 141 19 O 1S 0.04129 -0.02955 0.00052 0.02127 -0.06015 142 2S -0.06296 0.02367 -0.00529 -0.03269 0.07901 143 2PX -0.14670 -0.09036 0.05090 -0.07103 -0.00163 144 2PY -0.05486 0.04943 -0.02089 -0.03345 0.15637 145 2PZ 0.06711 0.00660 0.04645 0.10618 -0.04968 146 3S -0.52613 0.45462 -0.01346 -0.27132 0.82268 147 3PX -0.28359 -0.11355 0.10754 -0.12217 0.00564 148 3PY -0.13706 0.13192 -0.05286 -0.05444 0.33444 149 3PZ 0.11167 0.02675 0.11789 0.18277 -0.11777 150 4XX 0.01230 -0.01950 -0.00115 0.01186 -0.02084 151 4YY 0.00954 -0.01027 0.00077 0.00215 -0.01447 152 4ZZ 0.01410 -0.01685 -0.00634 0.00636 -0.02863 153 4XY 0.00208 -0.00139 -0.00254 0.00071 0.01101 154 4XZ 0.00268 0.00321 0.00602 -0.00123 -0.00632 155 4YZ 0.00644 -0.00312 -0.00906 -0.00287 -0.00411 156 20 O 1S 0.04130 0.02956 0.00046 0.02130 -0.06012 157 2S -0.06298 -0.02369 -0.00524 -0.03271 0.07896 158 2PX -0.14670 0.09046 0.05073 -0.07097 -0.00158 159 2PY 0.05485 0.04953 0.02079 0.03348 -0.15632 160 2PZ 0.06713 -0.00658 0.04645 0.10620 -0.04966 161 3S -0.52620 -0.45477 -0.01250 -0.27169 0.82215 162 3PX -0.28358 0.11373 0.10731 -0.12209 0.00574 163 3PY 0.13706 0.13212 0.05258 0.05451 -0.33430 164 3PZ 0.11171 -0.02666 0.11791 0.18278 -0.11776 165 4XX 0.01230 0.01949 -0.00119 0.01188 -0.02082 166 4YY 0.00954 0.01028 0.00074 0.00216 -0.01447 167 4ZZ 0.01410 0.01684 -0.00637 0.00638 -0.02861 168 4XY -0.00208 -0.00138 0.00254 -0.00071 -0.01102 169 4XZ 0.00268 -0.00320 0.00603 -0.00123 -0.00633 170 4YZ -0.00644 -0.00312 0.00907 0.00286 0.00411 171 21 C 1S 0.00447 -0.00001 -0.00742 -0.00634 0.07046 172 2S -0.01554 0.00002 0.00243 -0.00613 -0.10512 173 2PX 0.07319 0.00003 -0.12391 -0.12106 -0.19815 174 2PY 0.00000 0.17787 -0.00014 0.00007 0.00004 175 2PZ 0.13031 -0.00019 -0.41306 -0.16614 0.12580 176 3S -0.06031 0.00007 0.09700 0.12841 -0.79484 177 3PX 0.17842 0.00006 -0.28534 -0.24426 -0.66026 178 3PY 0.00003 0.51189 -0.00044 0.00024 0.00019 179 3PZ 0.35679 -0.00053 -1.09081 -0.39966 0.46919 180 4XX -0.00248 0.00000 -0.00338 -0.00691 0.01579 181 4YY 0.00944 -0.00001 -0.00478 0.00668 0.00932 182 4ZZ -0.00309 0.00001 0.00819 -0.00363 -0.01766 183 4XY 0.00000 -0.01324 0.00001 -0.00001 0.00000 184 4XZ 0.00537 0.00000 -0.00771 -0.00051 -0.01194 185 4YZ 0.00000 0.00807 -0.00001 0.00001 0.00001 186 22 H 1S -0.04093 0.00006 0.06373 -0.01899 -0.02197 187 2S -0.43850 0.00072 1.33700 0.40896 -0.24645 188 23 H 1S -0.00238 -0.00002 -0.04743 -0.03546 0.00265 189 2S 0.48075 -0.00046 -1.27519 -0.69360 0.15250 56 57 58 59 60 V V V V V Eigenvalues -- 0.19723 0.20300 0.21252 0.24290 0.24318 1 1 C 1S -0.01357 0.08144 0.00853 -0.01357 0.00876 2 2S 0.01510 -0.15594 -0.01268 0.02844 -0.00972 3 2PX -0.01891 0.06568 0.04562 -0.03946 -0.11734 4 2PY 0.02537 0.03855 0.02355 -0.10082 -0.06254 5 2PZ -0.03706 -0.07641 -0.03239 0.08961 0.09152 6 3S 0.07325 -0.80294 -0.24603 0.49430 -0.29112 7 3PX -0.09672 0.45269 0.04776 -0.27061 -0.33729 8 3PY 0.04509 0.40573 0.14584 -0.40431 -0.31832 9 3PZ -0.02032 -0.68198 -0.06216 0.40678 0.48222 10 4XX -0.00275 -0.00136 0.00256 -0.00211 0.00236 11 4YY -0.00809 0.01527 -0.00033 -0.00936 0.00670 12 4ZZ 0.00074 0.00357 -0.00317 0.01515 -0.00888 13 4XY 0.00094 -0.00451 -0.00132 -0.00571 0.00492 14 4XZ 0.00206 0.00025 0.00112 -0.00851 -0.00098 15 4YZ -0.00087 0.00605 0.00086 -0.00943 -0.00358 16 2 C 1S 0.00058 -0.05802 -0.01862 -0.03485 0.01109 17 2S -0.01448 0.11048 0.02459 0.04205 -0.03737 18 2PX -0.00346 -0.02137 0.01889 0.15754 0.03010 19 2PY 0.07825 -0.07860 -0.04652 0.21017 -0.05361 20 2PZ -0.04758 0.00388 -0.00184 -0.12907 0.03550 21 3S 0.01030 0.53220 0.30027 0.60486 0.08761 22 3PX 0.26918 -0.18452 -0.08911 0.65737 0.03861 23 3PY 0.34010 -0.71471 -0.20160 1.02231 -0.13527 24 3PZ -0.01904 0.06256 0.07269 -0.59739 0.43500 25 4XX -0.00408 -0.00397 -0.00437 -0.00468 -0.00322 26 4YY 0.00064 0.00246 -0.00224 -0.00070 0.00228 27 4ZZ 0.00293 -0.01010 0.00200 0.00083 0.00225 28 4XY -0.00898 0.00172 -0.00236 -0.00652 0.00661 29 4XZ -0.00161 0.00982 0.00093 -0.00058 0.00079 30 4YZ 0.00412 -0.00893 0.00325 0.00364 -0.02061 31 3 C 1S -0.00058 0.05802 -0.01864 -0.03473 -0.01141 32 2S 0.01447 -0.11048 0.02462 0.04168 0.03775 33 2PX 0.00344 0.02139 0.01886 0.15785 -0.02862 34 2PY 0.07824 -0.07858 0.04657 -0.20957 -0.05557 35 2PZ 0.04760 -0.00389 -0.00183 -0.12874 -0.03672 36 3S -0.01038 -0.53225 0.30056 0.60529 -0.08203 37 3PX -0.26922 0.18466 -0.08935 0.65791 -0.03246 38 3PY 0.34005 -0.71457 0.20184 -1.02065 -0.14470 39 3PZ 0.01908 -0.06269 0.07278 -0.59347 -0.44062 40 4XX 0.00408 0.00397 -0.00437 -0.00471 0.00317 41 4YY -0.00064 -0.00246 -0.00223 -0.00069 -0.00227 42 4ZZ -0.00293 0.01010 0.00200 0.00086 -0.00225 43 4XY -0.00897 0.00172 0.00236 0.00647 0.00667 44 4XZ 0.00161 -0.00982 0.00094 -0.00057 -0.00079 45 4YZ 0.00412 -0.00894 -0.00325 -0.00345 -0.02064 46 4 C 1S 0.01357 -0.08144 0.00855 -0.01348 -0.00889 47 2S -0.01509 0.15593 -0.01271 0.02834 0.00998 48 2PX 0.01892 -0.06568 0.04564 -0.04056 0.11697 49 2PY 0.02536 0.03852 -0.02353 0.10142 -0.06155 50 2PZ 0.03703 0.07642 -0.03237 0.09041 -0.09070 51 3S -0.07328 0.80296 -0.24618 0.49126 0.29578 52 3PX 0.09675 -0.45276 0.04787 -0.27370 0.33482 53 3PY 0.04509 0.40547 -0.14591 0.40729 -0.31434 54 3PZ 0.02025 0.68203 -0.06217 0.41107 -0.47852 55 4XX 0.00275 0.00136 0.00256 -0.00209 -0.00239 56 4YY 0.00810 -0.01527 -0.00033 -0.00929 -0.00679 57 4ZZ -0.00073 -0.00357 -0.00317 0.01507 0.00902 58 4XY 0.00094 -0.00451 0.00132 0.00567 0.00497 59 4XZ -0.00206 -0.00025 0.00112 -0.00852 0.00090 60 4YZ -0.00086 0.00605 -0.00086 0.00945 -0.00350 61 5 H 1S 0.00210 0.04002 -0.00957 0.03913 -0.01419 62 2S 0.01995 1.34342 0.25766 -0.76956 -0.67717 63 6 H 1S -0.00209 -0.04002 -0.00956 0.03898 0.01456 64 2S -0.01980 -1.34338 0.25778 -0.77557 0.66997 65 7 C 1S -0.05191 0.00386 0.04855 0.01477 0.01213 66 2S 0.07145 -0.03031 -0.09896 -0.03119 -0.03557 67 2PX -0.05303 -0.04201 0.06701 0.04137 0.02977 68 2PY -0.01396 0.02036 0.14941 0.03578 0.03120 69 2PZ -0.14403 -0.00064 0.03284 -0.03388 0.03688 70 3S 0.84133 0.21160 -0.67238 -0.15632 -0.05564 71 3PX 0.08794 -0.06382 0.07662 -0.00513 0.09251 72 3PY -0.06110 0.31895 0.25504 0.04123 0.19866 73 3PZ -0.42803 0.03403 0.02945 -0.02888 0.11194 74 4XX -0.00322 0.00274 0.00243 0.00301 0.00194 75 4YY -0.01198 0.00214 0.00277 -0.00133 -0.00172 76 4ZZ -0.00083 -0.00234 0.00043 0.00117 -0.00062 77 4XY 0.00185 0.00137 0.01313 0.00719 0.00076 78 4XZ 0.00345 -0.00008 -0.00096 -0.00144 -0.00572 79 4YZ 0.00719 -0.00171 -0.00855 -0.00370 -0.00260 80 8 C 1S 0.05191 -0.00385 0.04856 0.01492 -0.01199 81 2S -0.07145 0.03029 -0.09897 -0.03158 0.03529 82 2PX 0.05301 0.04204 0.06707 0.04169 -0.02937 83 2PY -0.01399 0.02033 -0.14946 -0.03606 0.03087 84 2PZ 0.14409 0.00063 0.03277 -0.03346 -0.03723 85 3S -0.84155 -0.21168 -0.67237 -0.15752 0.05419 86 3PX -0.08798 0.06389 0.07682 -0.00436 -0.09250 87 3PY -0.06134 0.31895 -0.25525 -0.04285 0.19831 88 3PZ 0.42816 -0.03396 0.02923 -0.02753 -0.11225 89 4XX 0.00322 -0.00275 0.00243 0.00303 -0.00192 90 4YY 0.01197 -0.00214 0.00277 -0.00134 0.00171 91 4ZZ 0.00084 0.00233 0.00044 0.00117 0.00063 92 4XY 0.00185 0.00137 -0.01313 -0.00720 0.00069 93 4XZ -0.00345 0.00008 -0.00096 -0.00150 0.00571 94 4YZ 0.00719 -0.00171 0.00855 0.00373 -0.00256 95 9 H 1S 0.00845 0.03282 -0.01909 0.00874 -0.02683 96 2S -0.36718 1.00394 -0.35775 0.93305 0.06957 97 10 H 1S -0.00845 -0.03282 -0.01910 0.00853 0.02691 98 2S 0.36718 -1.00403 -0.35736 0.93372 -0.06085 99 11 C 1S -0.09119 -0.02792 -0.00940 0.04425 0.05496 100 2S 0.06292 0.07104 0.00255 -0.02799 -0.06309 101 2PX 0.17534 0.00052 0.02549 0.09879 0.20194 102 2PY -0.03144 0.07779 0.01899 -0.03860 0.25401 103 2PZ 0.05793 -0.00878 -0.05153 -0.06855 0.02346 104 3S 1.81747 0.05420 0.24838 -0.98136 -0.90902 105 3PX 0.49525 0.16651 -0.04086 0.63999 0.81387 106 3PY -0.46502 0.46370 0.02921 -0.23894 1.08630 107 3PZ 0.37396 -0.19093 -0.10843 -0.64498 0.06027 108 4XX -0.00349 -0.00390 0.00460 0.00998 -0.00595 109 4YY -0.01318 -0.00021 -0.00163 -0.00180 0.02273 110 4ZZ -0.00485 -0.00575 -0.00570 0.00018 -0.00880 111 4XY 0.00358 0.00078 -0.00327 -0.00842 0.00644 112 4XZ 0.00232 0.00509 0.00017 -0.02496 -0.00662 113 4YZ 0.00325 -0.00258 0.00857 0.01164 -0.00214 114 12 H 1S 0.00072 -0.02880 -0.03633 -0.07051 -0.02625 115 2S -0.04354 -0.42280 -0.30443 -0.11731 0.15039 116 13 H 1S -0.00807 -0.01987 0.01888 -0.04133 -0.04941 117 2S -1.16683 -0.37626 -0.02343 -0.13201 -0.96461 118 14 C 1S 0.09118 0.02792 -0.00938 0.04477 -0.05455 119 2S -0.06290 -0.07104 0.00255 -0.02858 0.06283 120 2PX -0.17533 -0.00053 0.02543 0.10074 -0.20107 121 2PY -0.03148 0.07778 -0.01905 0.03640 0.25430 122 2PZ -0.05801 0.00879 -0.05160 -0.06819 -0.02405 123 3S -1.81724 -0.05410 0.24785 -0.99004 0.89980 124 3PX -0.49519 -0.16666 -0.04104 0.64793 -0.80811 125 3PY -0.46516 0.46361 -0.02963 0.22952 1.08830 126 3PZ -0.37424 0.19104 -0.10877 -0.64390 -0.06606 127 4XX 0.00349 0.00390 0.00459 0.00993 0.00604 128 4YY 0.01319 0.00021 -0.00161 -0.00159 -0.02274 129 4ZZ 0.00485 0.00575 -0.00570 0.00010 0.00881 130 4XY 0.00358 0.00078 0.00328 0.00836 0.00652 131 4XZ -0.00232 -0.00509 0.00018 -0.02502 0.00639 132 4YZ 0.00325 -0.00259 -0.00856 -0.01163 -0.00225 133 15 H 1S -0.00075 0.02879 -0.03635 -0.07071 0.02559 134 2S 0.04311 0.42278 -0.30478 -0.11502 -0.15136 135 16 H 1S 0.00809 0.01987 0.01887 -0.04179 0.04902 136 2S 1.16688 0.37622 -0.02312 -0.14126 0.96330 137 17 H 1S 0.02922 -0.00182 -0.02290 -0.00249 -0.01257 138 2S 0.86424 -0.15940 0.60034 0.08657 -0.27116 139 18 H 1S -0.02917 0.00181 -0.02292 -0.00264 0.01253 140 2S -0.86387 0.15945 0.60034 0.08356 0.27180 141 19 O 1S 0.00300 0.00578 0.03324 -0.00516 0.00177 142 2S -0.00955 -0.00170 -0.03139 0.02446 0.00497 143 2PX -0.00781 0.03866 0.16267 0.06651 0.05251 144 2PY -0.02375 -0.01753 -0.21560 -0.02125 -0.01315 145 2PZ 0.04723 -0.01213 -0.13278 -0.01035 -0.03869 146 3S -0.00440 -0.11751 -0.53521 0.00046 -0.04988 147 3PX 0.00143 0.06970 0.31831 0.08542 0.08209 148 3PY -0.00389 -0.06797 -0.47995 -0.03387 -0.04637 149 3PZ 0.07390 -0.01844 -0.23585 -0.02523 -0.07572 150 4XX -0.00325 0.00254 0.00766 -0.00206 0.00451 151 4YY -0.00283 -0.00024 0.01361 0.00675 0.00185 152 4ZZ 0.00684 0.00603 0.01908 0.00284 0.00113 153 4XY 0.00373 0.00213 -0.00368 -0.00088 0.00090 154 4XZ -0.00372 -0.00092 0.01160 0.00226 0.00077 155 4YZ -0.00212 -0.00105 0.00748 0.00186 -0.00035 156 20 O 1S -0.00303 -0.00577 0.03322 -0.00514 -0.00182 157 2S 0.00958 0.00168 -0.03136 0.02453 -0.00474 158 2PX 0.00775 -0.03861 0.16267 0.06700 -0.05187 159 2PY -0.02385 -0.01749 0.21563 0.02134 -0.01295 160 2PZ -0.04720 0.01210 -0.13275 -0.01072 0.03857 161 3S 0.00482 0.11737 -0.53473 0.00003 0.04984 162 3PX -0.00155 -0.06960 0.31831 0.08612 -0.08123 163 3PY -0.00412 -0.06787 0.47992 0.03426 -0.04604 164 3PZ -0.07385 0.01838 -0.23578 -0.02593 0.07543 165 4XX 0.00324 -0.00254 0.00765 -0.00202 -0.00453 166 4YY 0.00282 0.00025 0.01361 0.00678 -0.00178 167 4ZZ -0.00686 -0.00603 0.01906 0.00285 -0.00110 168 4XY 0.00372 0.00213 0.00368 0.00088 0.00091 169 4XZ 0.00372 0.00093 0.01160 0.00227 -0.00075 170 4YZ -0.00211 -0.00105 -0.00748 -0.00186 -0.00037 171 21 C 1S 0.00003 -0.00001 -0.11819 -0.00801 -0.00004 172 2S -0.00005 0.00002 0.18984 0.02424 0.00012 173 2PX -0.00009 0.00003 0.23627 0.03427 0.00017 174 2PY 0.02593 -0.03024 -0.00001 0.00029 -0.05934 175 2PZ 0.00000 -0.00004 0.00891 -0.04427 -0.00021 176 3S -0.00040 0.00018 1.61125 0.09511 0.00055 177 3PX -0.00028 0.00013 0.92962 0.05228 0.00032 178 3PY -0.01411 -0.21544 -0.00014 0.00087 -0.20290 179 3PZ 0.00003 -0.00013 -0.10502 -0.11774 -0.00058 180 4XX 0.00000 0.00000 -0.00114 0.00293 0.00001 181 4YY 0.00001 0.00000 -0.02811 -0.00802 -0.00004 182 4ZZ -0.00001 0.00000 0.02831 0.00730 0.00004 183 4XY 0.00037 0.00227 0.00000 -0.00002 0.00526 184 4XZ 0.00000 0.00000 0.01326 0.00178 0.00001 185 4YZ -0.00531 -0.00119 -0.00001 -0.00001 0.00037 186 22 H 1S -0.00001 0.00001 0.04828 0.02839 0.00013 187 2S 0.00012 0.00008 -0.49716 0.11684 0.00052 188 23 H 1S -0.00001 0.00000 0.04472 0.00891 0.00005 189 2S -0.00006 -0.00006 0.01747 -0.08203 -0.00038 61 62 63 64 65 V V V V V Eigenvalues -- 0.24789 0.30577 0.31743 0.32866 0.37585 1 1 C 1S 0.01995 -0.04517 -0.06143 -0.01581 0.01482 2 2S -0.01986 0.05050 0.04015 0.03190 -0.00785 3 2PX 0.03741 -0.06471 0.03422 0.03043 0.01095 4 2PY -0.06448 0.19070 -0.04302 0.01175 0.02405 5 2PZ -0.10277 -0.02038 -0.14399 -0.04148 0.04373 6 3S -0.47176 1.31416 2.01157 0.39130 -0.65598 7 3PX 0.21308 -0.24069 0.29172 0.08902 -0.06450 8 3PY -0.25095 1.30166 -0.74291 0.15908 -0.23449 9 3PZ -0.44796 0.07486 -1.18441 -0.20480 0.43590 10 4XX -0.00195 0.00435 0.00309 -0.00270 0.00744 11 4YY 0.01176 -0.02230 0.00823 -0.00181 -0.00672 12 4ZZ -0.00580 0.01556 -0.02129 0.00652 -0.00174 13 4XY -0.00185 -0.00178 0.01163 -0.00157 -0.00108 14 4XZ 0.00624 -0.01613 -0.00158 0.00120 0.01036 15 4YZ 0.00581 -0.00176 -0.03135 -0.00041 -0.00211 16 2 C 1S 0.02259 -0.05271 0.05188 0.01301 -0.00627 17 2S -0.02686 0.06033 -0.04468 0.01096 -0.06160 18 2PX -0.01656 0.16499 0.06289 -0.05349 -0.00466 19 2PY -0.02341 0.03929 -0.12535 0.02927 -0.00237 20 2PZ 0.05200 -0.02397 -0.22905 -0.01011 -0.01481 21 3S -0.61986 1.30278 -1.51960 -0.39118 0.48309 22 3PX 0.00444 0.63325 0.41277 -0.00996 -0.00156 23 3PY -0.09794 0.09449 -0.87533 -0.10805 0.31430 24 3PZ 0.12134 -0.28345 -1.42318 -0.09592 0.19178 25 4XX -0.00045 -0.00791 -0.00035 -0.01060 0.00651 26 4YY -0.01374 0.01971 -0.00195 0.00875 -0.00471 27 4ZZ 0.01529 -0.01835 0.00956 0.00543 -0.00785 28 4XY -0.01026 -0.00893 -0.00473 -0.01042 -0.01102 29 4XZ -0.00452 0.01094 0.00359 -0.00041 0.00052 30 4YZ 0.00072 0.01671 0.01763 0.00294 -0.00668 31 3 C 1S -0.02261 0.05271 0.05188 -0.01301 0.00626 32 2S 0.02687 -0.06034 -0.04467 -0.01095 0.06161 33 2PX 0.01665 -0.16501 0.06287 0.05346 0.00466 34 2PY -0.02358 0.03925 0.12542 0.02927 -0.00237 35 2PZ -0.05210 0.02396 -0.22903 0.01018 0.01486 36 3S 0.62021 -1.30282 -1.51948 0.39137 -0.48285 37 3PX -0.00405 -0.63327 0.41259 0.00996 0.00138 38 3PY -0.09876 0.09425 0.87572 -0.10819 0.31422 39 3PZ -0.12167 0.28344 -1.42299 0.09615 -0.19152 40 4XX 0.00045 0.00791 -0.00035 0.01061 -0.00651 41 4YY 0.01373 -0.01972 -0.00194 -0.00875 0.00471 42 4ZZ -0.01530 0.01836 0.00955 -0.00543 0.00785 43 4XY -0.01027 -0.00892 0.00473 -0.01042 -0.01102 44 4XZ 0.00451 -0.01095 0.00360 0.00040 -0.00053 45 4YZ 0.00073 0.01669 -0.01763 0.00294 -0.00668 46 4 C 1S -0.01996 0.04517 -0.06143 0.01582 -0.01481 47 2S 0.01987 -0.05050 0.04014 -0.03190 0.00785 48 2PX -0.03744 0.06466 0.03419 -0.03043 -0.01096 49 2PY -0.06444 0.19071 0.04305 0.01173 0.02407 50 2PZ 0.10285 0.02042 -0.14398 0.04150 -0.04373 51 3S 0.47204 -1.31409 2.01160 -0.39163 0.65567 52 3PX -0.21323 0.24044 0.29146 -0.08911 0.06451 53 3PY -0.25080 1.30177 0.74317 0.15887 -0.23450 54 3PZ 0.44828 -0.07459 -1.18424 0.20503 -0.43577 55 4XX 0.00195 -0.00435 0.00310 0.00270 -0.00744 56 4YY -0.01177 0.02230 0.00821 0.00181 0.00672 57 4ZZ 0.00582 -0.01556 -0.02128 -0.00652 0.00175 58 4XY -0.00184 -0.00179 -0.01164 -0.00157 -0.00108 59 4XZ -0.00625 0.01613 -0.00159 -0.00120 -0.01036 60 4YZ 0.00581 -0.00175 0.03136 -0.00042 -0.00212 61 5 H 1S -0.02292 0.06791 0.08768 -0.00285 -0.02645 62 2S 0.45931 0.17250 0.19513 0.12660 -0.18596 63 6 H 1S 0.02295 -0.06791 0.08769 0.00283 0.02645 64 2S -0.45995 -0.17253 0.19510 -0.12661 0.18596 65 7 C 1S 0.04397 0.01574 -0.00554 -0.01645 -0.10929 66 2S -0.08045 -0.02064 0.02752 -0.02447 0.10567 67 2PX 0.05161 0.03567 -0.00337 0.14074 -0.11454 68 2PY -0.00206 -0.01256 0.01337 0.23685 0.16474 69 2PZ 0.11184 0.08272 -0.03870 -0.09509 0.24878 70 3S -0.76704 -0.31121 0.13441 1.23587 2.60536 71 3PX -0.10678 -0.13949 0.05305 0.67967 -1.08484 72 3PY -0.16428 -0.05987 -0.08651 1.77547 1.84316 73 3PZ 0.44608 0.23756 -0.00797 -0.36187 1.04352 74 4XX 0.00363 0.00040 0.00157 0.00172 0.01135 75 4YY 0.00764 0.00533 0.00592 -0.02372 -0.02631 76 4ZZ -0.00130 0.00168 -0.00284 0.00711 0.00870 77 4XY -0.00036 0.00089 -0.00608 -0.00492 -0.00248 78 4XZ -0.00694 -0.00197 -0.00531 -0.01626 0.01081 79 4YZ -0.00414 -0.00114 -0.00177 -0.00045 -0.00496 80 8 C 1S -0.04397 -0.01574 -0.00553 0.01644 0.10929 81 2S 0.08046 0.02065 0.02751 0.02448 -0.10565 82 2PX -0.05161 -0.03568 -0.00339 -0.14076 0.11453 83 2PY -0.00201 -0.01253 -0.01331 0.23687 0.16478 84 2PZ -0.11190 -0.08274 -0.03872 0.09518 -0.24873 85 3S 0.76725 0.31130 0.13402 -1.23589 -2.60535 86 3PX 0.10678 0.13948 0.05303 -0.67964 1.08484 87 3PY -0.16406 -0.05978 0.08695 1.77538 1.84342 88 3PZ -0.44627 -0.23761 -0.00799 0.36231 -1.04297 89 4XX -0.00363 -0.00040 0.00157 -0.00172 -0.01134 90 4YY -0.00763 -0.00533 0.00593 0.02371 0.02631 91 4ZZ 0.00130 -0.00168 -0.00284 -0.00711 -0.00871 92 4XY -0.00037 0.00089 0.00608 -0.00492 -0.00248 93 4XZ 0.00694 0.00197 -0.00531 0.01626 -0.01081 94 4YZ -0.00413 -0.00114 0.00177 -0.00045 -0.00496 95 9 H 1S 0.06994 -0.07947 -0.02800 -0.03990 0.00380 96 2S 0.00803 0.10520 -0.41952 -0.12468 -0.15017 97 10 H 1S -0.06993 0.07948 -0.02801 0.03990 -0.00379 98 2S -0.00717 -0.10514 -0.41949 0.12467 0.15016 99 11 C 1S 0.01095 -0.01792 0.01192 0.00336 0.00384 100 2S -0.00009 0.02396 -0.00977 0.00580 -0.01644 101 2PX 0.12723 -0.09751 0.00802 -0.07066 0.00512 102 2PY -0.19876 0.14027 -0.07224 -0.04719 -0.02481 103 2PZ 0.18132 0.24952 -0.03180 0.02268 0.02770 104 3S -0.25321 0.27013 -0.49718 -0.19205 0.07190 105 3PX 0.65379 -0.41293 0.11301 -0.05743 0.02042 106 3PY -0.70999 0.52202 -0.29486 -0.22121 -0.12657 107 3PZ 0.61556 1.00784 0.12922 0.02507 0.17227 108 4XX 0.00762 0.00338 -0.00197 -0.01236 0.00457 109 4YY -0.01257 0.00850 0.01260 -0.00219 -0.00102 110 4ZZ 0.01055 -0.01302 -0.01021 0.01119 0.00075 111 4XY 0.00379 -0.00258 -0.02351 -0.00266 -0.00149 112 4XZ -0.00331 0.01072 0.00382 -0.00301 -0.00017 113 4YZ 0.00445 0.00441 0.00493 0.00142 -0.00077 114 12 H 1S 0.06264 -0.00500 -0.03234 0.04676 0.00195 115 2S 1.30620 0.62463 0.18524 0.23516 0.19381 116 13 H 1S -0.00580 0.01384 -0.04457 -0.02866 0.01232 117 2S -0.47103 -0.15891 0.07157 0.25759 -0.02317 118 14 C 1S -0.01091 0.01793 0.01192 -0.00336 -0.00384 119 2S 0.00006 -0.02396 -0.00977 -0.00579 0.01644 120 2PX -0.12711 0.09747 0.00802 0.07067 -0.00512 121 2PY -0.19875 0.14034 0.07220 -0.04719 -0.02482 122 2PZ -0.18136 -0.24948 -0.03180 -0.02268 -0.02769 123 3S 0.25246 -0.27023 -0.49709 0.19217 -0.07187 124 3PX -0.65311 0.41286 0.11293 0.05739 -0.02038 125 3PY -0.70989 0.52233 0.29470 -0.22125 -0.12657 126 3PZ -0.61602 -1.00771 0.12928 -0.02511 -0.17227 127 4XX -0.00761 -0.00338 -0.00198 0.01236 -0.00457 128 4YY 0.01256 -0.00850 0.01262 0.00219 0.00102 129 4ZZ -0.01054 0.01302 -0.01021 -0.01118 -0.00075 130 4XY 0.00378 -0.00258 0.02351 -0.00267 -0.00149 131 4XZ 0.00329 -0.01072 0.00383 0.00301 0.00017 132 4YZ 0.00446 0.00441 -0.00493 0.00142 -0.00077 133 15 H 1S -0.06265 0.00502 -0.03236 -0.04676 -0.00194 134 2S -1.30601 -0.62455 0.18510 -0.23517 -0.19378 135 16 H 1S 0.00576 -0.01385 -0.04456 0.02868 -0.01231 136 2S 0.47090 0.15892 0.07146 -0.25758 0.02316 137 17 H 1S -0.03619 -0.02345 0.00051 -0.04911 0.07987 138 2S -0.69447 -0.35908 -0.21831 -0.30139 -1.11712 139 18 H 1S 0.03617 0.02344 0.00051 0.04909 -0.07988 140 2S 0.69410 0.35895 -0.21811 0.30141 1.11721 141 19 O 1S -0.00148 0.00156 0.00071 -0.02052 0.03943 142 2S 0.01866 0.01698 -0.00101 0.05547 -0.02452 143 2PX 0.00888 0.00540 0.00416 0.21012 -0.19609 144 2PY 0.03114 -0.00188 -0.01645 -0.07453 -0.00620 145 2PZ -0.03825 -0.00243 -0.01077 -0.13829 0.12039 146 3S -0.05965 -0.10212 -0.02477 0.19570 -0.93438 147 3PX -0.05483 -0.04174 -0.00463 0.50969 -0.38659 148 3PY 0.02179 0.00087 0.00413 -0.20639 -0.29360 149 3PZ -0.02750 0.00810 -0.00107 -0.33756 0.26316 150 4XX 0.00186 0.00650 -0.00257 0.00338 0.01617 151 4YY 0.00868 0.00745 0.00171 -0.00974 0.00150 152 4ZZ -0.00263 0.00356 0.00178 0.00277 0.02686 153 4XY -0.00533 0.00117 0.00085 0.02203 0.02847 154 4XZ 0.00537 0.00134 0.00107 0.00176 0.01163 155 4YZ 0.00365 0.00513 -0.00050 -0.01349 -0.00895 156 20 O 1S 0.00148 -0.00156 0.00071 0.02053 -0.03944 157 2S -0.01864 -0.01699 -0.00101 -0.05548 0.02452 158 2PX -0.00886 -0.00541 0.00415 -0.21014 0.19608 159 2PY 0.03111 -0.00189 0.01645 -0.07454 -0.00619 160 2PZ 0.03829 0.00243 -0.01076 0.13828 -0.12036 161 3S 0.05972 0.10212 -0.02473 -0.19591 0.93445 162 3PX 0.05483 0.04172 -0.00466 -0.50968 0.38654 163 3PY 0.02172 0.00085 -0.00418 -0.20639 -0.29362 164 3PZ 0.02755 -0.00808 -0.00104 0.33749 -0.26318 165 4XX -0.00186 -0.00650 -0.00257 -0.00338 -0.01617 166 4YY -0.00868 -0.00745 0.00171 0.00974 -0.00150 167 4ZZ 0.00263 -0.00356 0.00178 -0.00277 -0.02687 168 4XY -0.00533 0.00117 -0.00085 0.02202 0.02848 169 4XZ -0.00538 -0.00134 0.00106 -0.00175 -0.01163 170 4YZ 0.00365 0.00513 0.00050 -0.01348 -0.00894 171 21 C 1S 0.00001 0.00000 -0.00291 -0.00001 0.00001 172 2S 0.00000 0.00000 -0.00490 -0.00001 0.00000 173 2PX 0.00001 0.00000 0.00338 0.00000 -0.00001 174 2PY -0.02140 0.00190 0.00001 -0.03260 0.34541 175 2PZ -0.00001 0.00001 -0.00928 -0.00001 0.00004 176 3S -0.00011 -0.00004 0.02546 0.00019 -0.00013 177 3PX -0.00004 -0.00001 0.04980 0.00014 -0.00008 178 3PY 0.08068 0.01691 -0.00006 -0.94177 -0.13295 179 3PZ -0.00002 0.00001 -0.02527 -0.00014 0.00002 180 4XX 0.00000 0.00000 -0.00108 0.00000 0.00000 181 4YY 0.00000 0.00000 -0.00498 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00101 0.00000 0.00000 183 4XY -0.00121 0.00071 0.00000 0.01231 -0.02169 184 4XZ 0.00000 0.00000 0.00178 0.00000 -0.00001 185 4YZ 0.00467 -0.00091 0.00000 0.00450 0.00611 186 22 H 1S 0.00001 0.00000 0.00405 0.00000 -0.00001 187 2S 0.00008 0.00000 0.02603 0.00000 0.00001 188 23 H 1S 0.00000 0.00000 0.00936 0.00001 -0.00002 189 2S 0.00000 0.00002 0.00360 -0.00002 0.00002 66 67 68 69 70 V V V V V Eigenvalues -- 0.43552 0.47078 0.48268 0.48732 0.50574 1 1 C 1S 0.09086 -0.00823 0.03933 -0.01128 -0.00343 2 2S -0.02617 -0.05817 -0.01519 -0.16090 -0.30053 3 2PX -0.08712 0.17994 -0.01924 0.17622 -0.01681 4 2PY -0.17884 0.04516 0.21592 -0.25580 0.10609 5 2PZ 0.06271 0.12353 0.19495 -0.07027 0.17612 6 3S -3.40740 0.14721 -1.77266 0.42097 0.32212 7 3PX -0.60463 -0.14798 -0.49551 -0.19965 0.03223 8 3PY -2.40461 -0.16143 1.52071 0.30077 -0.17427 9 3PZ 1.28330 -0.14841 2.38754 0.03198 -0.18776 10 4XX -0.00366 0.00115 -0.00032 0.00930 0.00716 11 4YY 0.01032 0.00336 -0.02151 -0.05326 -0.02521 12 4ZZ -0.00674 -0.02075 0.01180 0.00062 -0.04693 13 4XY 0.00265 0.00772 0.00232 -0.00504 0.00581 14 4XZ 0.00371 0.00284 0.00768 0.00927 0.02640 15 4YZ -0.01067 -0.01670 -0.00623 0.02106 -0.00615 16 2 C 1S -0.07624 0.00678 -0.04853 0.01038 -0.00188 17 2S 0.06357 -0.11353 -0.00607 0.03888 -0.02981 18 2PX 0.08874 0.10276 -0.12975 -0.14263 0.01789 19 2PY 0.12641 -0.06459 0.06705 0.04981 0.03008 20 2PZ -0.16752 -0.08946 0.11051 0.09112 -0.30093 21 3S 2.15780 -0.01160 2.35277 -0.27950 -0.19142 22 3PX 0.72250 -0.04354 -0.78417 0.34855 -0.10202 23 3PY 1.79920 0.04489 1.08170 -0.25073 -0.14292 24 3PZ -0.25965 0.15643 2.28365 -0.26752 0.48161 25 4XX -0.00392 -0.01018 0.01327 -0.00327 0.02658 26 4YY -0.00237 0.00729 0.00984 -0.00008 -0.00479 27 4ZZ 0.01307 -0.00746 -0.02340 0.01635 -0.01567 28 4XY -0.00539 -0.00749 0.00470 -0.01587 0.01495 29 4XZ -0.00925 0.01512 -0.01107 0.01680 0.00323 30 4YZ -0.01644 -0.01782 -0.01281 0.02505 -0.02606 31 3 C 1S 0.07624 0.00676 0.04854 0.01034 -0.00191 32 2S -0.06355 -0.11356 0.00603 0.03892 -0.02977 33 2PX -0.08879 0.10269 0.12970 -0.14272 0.01778 34 2PY 0.12634 0.06459 0.06710 -0.04991 -0.03005 35 2PZ 0.16753 -0.08942 -0.11065 0.09111 -0.30090 36 3S -2.15783 -0.01037 -2.35298 -0.27811 -0.19027 37 3PX -0.72283 -0.04410 0.78398 0.34818 -0.10221 38 3PY 1.79895 -0.04542 1.08245 0.25010 0.14216 39 3PZ 0.26005 0.15771 -2.28321 -0.26606 0.48271 40 4XX 0.00392 -0.01018 -0.01327 -0.00327 0.02660 41 4YY 0.00238 0.00730 -0.00983 -0.00005 -0.00480 42 4ZZ -0.01308 -0.00747 0.02340 0.01633 -0.01567 43 4XY -0.00539 0.00748 0.00469 0.01586 -0.01494 44 4XZ 0.00925 0.01511 0.01109 0.01680 0.00322 45 4YZ -0.01643 0.01783 -0.01281 -0.02504 0.02607 46 4 C 1S -0.09086 -0.00822 -0.03935 -0.01125 -0.00340 47 2S 0.02615 -0.05817 0.01498 -0.16093 -0.30056 48 2PX 0.08717 0.17997 0.01942 0.17618 -0.01683 49 2PY -0.17879 -0.04528 0.21604 0.25571 -0.10622 50 2PZ -0.06274 0.12363 -0.19479 -0.07008 0.17619 51 3S 3.40742 0.14646 1.77297 0.41973 0.32106 52 3PX 0.60508 -0.14828 0.49493 -0.19996 0.03191 53 3PY -2.40421 0.16044 1.52131 -0.30147 0.17383 54 3PZ -1.28384 -0.14713 -2.38732 0.03337 -0.18651 55 4XX 0.00366 0.00116 0.00033 0.00930 0.00716 56 4YY -0.01032 0.00333 0.02148 -0.05327 -0.02523 57 4ZZ 0.00674 -0.02074 -0.01183 0.00061 -0.04692 58 4XY 0.00265 -0.00772 0.00231 0.00505 -0.00581 59 4XZ -0.00370 0.00284 -0.00766 0.00928 0.02640 60 4YZ -0.01068 0.01671 -0.00622 -0.02107 0.00616 61 5 H 1S 0.04302 -0.00056 0.03501 -0.10835 -0.10303 62 2S -0.99325 -0.08087 -0.48808 -0.02937 -0.04151 63 6 H 1S -0.04303 -0.00056 -0.03511 -0.10836 -0.10301 64 2S 0.99324 -0.08110 0.48800 -0.02975 -0.04182 65 7 C 1S 0.01374 -0.00814 0.01267 0.00984 0.01873 66 2S -0.03207 -0.19203 -0.08240 0.04572 -0.10559 67 2PX 0.05426 -0.08918 0.13655 -0.15309 0.04675 68 2PY 0.01518 -0.31214 0.03317 0.03254 0.15513 69 2PZ -0.00713 0.19945 -0.03010 -0.18402 -0.25126 70 3S -0.22174 0.04048 0.02822 -0.00051 0.07826 71 3PX -0.07279 0.10072 -0.13414 0.26862 -0.00664 72 3PY -0.00501 0.39992 0.15575 -0.11769 -0.13892 73 3PZ 0.00631 -0.28617 0.04613 0.14204 0.28006 74 4XX -0.00093 0.01306 -0.01043 0.01253 -0.01139 75 4YY -0.00051 -0.06762 -0.00206 0.00047 -0.00391 76 4ZZ 0.00005 0.01000 0.00934 0.00677 0.01966 77 4XY 0.00125 0.00022 0.00383 -0.00750 0.01783 78 4XZ -0.00356 0.03392 -0.00250 -0.01448 -0.01266 79 4YZ -0.00073 0.00279 -0.00340 0.01021 -0.00186 80 8 C 1S -0.01374 -0.00812 -0.01265 0.00985 0.01874 81 2S 0.03211 -0.19205 0.08231 0.04563 -0.10566 82 2PX -0.05429 -0.08905 -0.13668 -0.15301 0.04677 83 2PY 0.01515 0.31210 0.03320 -0.03253 -0.15504 84 2PZ 0.00710 0.19949 0.03002 -0.18407 -0.25127 85 3S 0.22174 0.04018 -0.02823 -0.00036 0.07829 86 3PX 0.07285 0.10072 0.13440 0.26859 -0.00658 87 3PY -0.00498 -0.39985 0.15572 0.11756 0.13888 88 3PZ -0.00629 -0.28643 -0.04608 0.14219 0.28012 89 4XX 0.00092 0.01306 0.01044 0.01253 -0.01140 90 4YY 0.00052 -0.06762 0.00204 0.00046 -0.00391 91 4ZZ -0.00005 0.01001 -0.00933 0.00677 0.01965 92 4XY 0.00125 -0.00023 0.00384 0.00750 -0.01784 93 4XZ 0.00355 0.03391 0.00250 -0.01448 -0.01265 94 4YZ -0.00073 -0.00281 -0.00340 -0.01021 0.00185 95 9 H 1S 0.08707 0.05098 -0.03836 -0.01638 -0.04426 96 2S -0.73445 0.00403 -0.27729 -0.04333 -0.05315 97 10 H 1S -0.08706 0.05094 0.03838 -0.01641 -0.04427 98 2S 0.73450 0.00391 0.27728 -0.04356 -0.05333 99 11 C 1S -0.05513 -0.00112 -0.01134 0.00270 0.00002 100 2S -0.01997 -0.05976 0.00337 -0.03141 -0.02587 101 2PX -0.10090 0.13087 0.11114 0.09588 -0.10962 102 2PY 0.03742 0.13591 -0.20406 -0.18391 0.18495 103 2PZ 0.04931 0.07618 -0.06181 -0.08309 -0.07395 104 3S 1.77130 0.12263 0.10759 -0.00977 0.18509 105 3PX -1.19933 -0.12365 0.31838 -0.10221 0.06924 106 3PY -0.28979 -0.11868 -1.16079 0.16173 -0.20077 107 3PZ 1.29970 -0.12797 0.01340 0.13423 0.09837 108 4XX -0.01214 0.02857 0.02014 -0.00501 -0.00667 109 4YY 0.00251 -0.02827 -0.00834 0.02650 -0.03810 110 4ZZ 0.00424 -0.01172 -0.01228 -0.02124 0.04464 111 4XY -0.00209 0.01470 -0.00866 0.00408 -0.02389 112 4XZ 0.02779 0.00252 0.00736 0.01477 -0.02430 113 4YZ -0.00110 0.01623 0.00117 -0.00475 -0.00338 114 12 H 1S 0.06896 -0.07657 -0.05930 -0.02482 0.12950 115 2S 0.25755 -0.03266 0.21482 0.05785 -0.04967 116 13 H 1S 0.04493 0.11382 0.06261 0.00735 -0.11363 117 2S 0.28598 -0.09334 -0.03040 -0.03075 0.04431 118 14 C 1S 0.05513 -0.00113 0.01134 0.00269 0.00001 119 2S 0.01997 -0.05975 -0.00342 -0.03140 -0.02587 120 2PX 0.10087 0.13099 -0.11104 0.09589 -0.10955 121 2PY 0.03745 -0.13576 -0.20416 0.18405 -0.18488 122 2PZ -0.04930 0.07612 0.06178 -0.08310 -0.07399 123 3S -1.77136 0.12262 -0.10747 -0.00957 0.18525 124 3PX 1.19948 -0.12352 -0.31817 -0.10209 0.06930 125 3PY -0.28922 0.11933 -1.16080 -0.16105 0.20133 126 3PZ -1.29973 -0.12805 -0.01360 0.13432 0.09856 127 4XX 0.01214 0.02858 -0.02012 -0.00500 -0.00667 128 4YY -0.00252 -0.02828 0.00832 0.02649 -0.03809 129 4ZZ -0.00424 -0.01173 0.01228 -0.02125 0.04463 130 4XY -0.00207 -0.01468 -0.00867 -0.00409 0.02391 131 4XZ -0.02779 0.00252 -0.00737 0.01478 -0.02430 132 4YZ -0.00110 -0.01623 0.00117 0.00476 0.00336 133 15 H 1S -0.06894 -0.07660 0.05930 -0.02485 0.12948 134 2S -0.25756 -0.03258 -0.21479 0.05798 -0.04949 135 16 H 1S -0.04496 0.11386 -0.06258 0.00740 -0.11361 136 2S -0.28595 -0.09333 0.03036 -0.03073 0.04431 137 17 H 1S -0.02025 -0.12541 -0.04234 0.08172 0.11493 138 2S -0.14686 0.00100 -0.22682 -0.14811 0.09055 139 18 H 1S 0.02028 -0.12548 0.04238 0.08169 0.11492 140 2S 0.14681 0.00102 0.22672 -0.14824 0.09043 141 19 O 1S -0.00431 0.01240 -0.00557 -0.00026 -0.00861 142 2S 0.03215 -0.00217 0.01301 0.08490 0.06228 143 2PX 0.06332 -0.10443 0.05496 -0.05983 -0.02801 144 2PY -0.01036 0.06616 -0.01691 0.04711 0.10932 145 2PZ -0.00577 0.02804 -0.03823 -0.08027 -0.14348 146 3S -0.00768 -0.31770 0.07885 -0.41183 -0.20970 147 3PX 0.03928 0.07196 0.01409 -0.03379 -0.02314 148 3PY -0.00047 -0.28070 0.00106 -0.14214 -0.05490 149 3PZ -0.02362 0.03023 -0.01581 -0.09144 -0.03179 150 4XX 0.00494 0.03484 0.00568 0.01420 -0.00663 151 4YY 0.01062 -0.06146 0.00713 -0.01550 -0.00577 152 4ZZ 0.00236 0.03797 -0.01301 0.04760 0.01191 153 4XY -0.00459 0.02823 -0.02218 0.02602 0.00351 154 4XZ -0.00106 0.00411 0.00738 0.01173 0.03732 155 4YZ 0.00453 -0.01169 0.01164 -0.00596 0.00326 156 20 O 1S 0.00431 0.01239 0.00557 -0.00026 -0.00861 157 2S -0.03215 -0.00215 -0.01292 0.08494 0.06226 158 2PX -0.06333 -0.10437 -0.05505 -0.05975 -0.02799 159 2PY -0.01035 -0.06618 -0.01702 -0.04708 -0.10925 160 2PZ 0.00575 0.02798 0.03813 -0.08031 -0.14351 161 3S 0.00764 -0.31762 -0.07940 -0.41192 -0.20957 162 3PX -0.03929 0.07208 -0.01405 -0.03375 -0.02317 163 3PY -0.00047 0.28070 0.00135 0.14220 0.05488 164 3PZ 0.02359 0.03023 0.01574 -0.09143 -0.03178 165 4XX -0.00494 0.03484 -0.00566 0.01420 -0.00662 166 4YY -0.01062 -0.06146 -0.00718 -0.01549 -0.00577 167 4ZZ -0.00236 0.03797 0.01307 0.04761 0.01190 168 4XY -0.00460 -0.02823 -0.02221 -0.02601 -0.00349 169 4XZ 0.00106 0.00411 -0.00737 0.01173 0.03731 170 4YZ 0.00453 0.01166 0.01164 0.00594 -0.00327 171 21 C 1S 0.00000 0.00507 0.00000 0.00298 0.01419 172 2S -0.00001 -0.28771 -0.00018 -0.24094 -0.11615 173 2PX -0.00002 -0.37677 -0.00031 -0.46272 -0.23495 174 2PY -0.07962 -0.00002 -0.21608 0.00004 0.00012 175 2PZ -0.00002 0.16368 0.00000 -0.04646 -0.07759 176 3S 0.00004 0.77687 0.00047 0.56225 0.14356 177 3PX 0.00007 0.81105 0.00070 1.06140 0.33935 178 3PY 0.00701 0.00014 0.25588 0.00004 -0.00018 179 3PZ 0.00003 -0.35854 0.00000 0.13599 0.27209 180 4XX 0.00000 -0.02731 0.00000 0.00531 0.01895 181 4YY 0.00000 0.04092 0.00002 0.01631 0.01108 182 4ZZ 0.00000 -0.00172 -0.00001 -0.02061 -0.01367 183 4XY 0.00517 -0.00001 0.01082 -0.00001 -0.00001 184 4XZ 0.00000 0.00233 0.00001 0.03194 0.00194 185 4YZ -0.00291 0.00000 0.00304 0.00001 0.00001 186 22 H 1S -0.00001 0.03607 -0.00001 -0.06192 -0.02967 187 2S -0.00001 0.02047 -0.00003 -0.03634 -0.12336 188 23 H 1S 0.00002 -0.00252 0.00009 0.19722 0.08021 189 2S 0.00001 0.02736 0.00010 0.20376 0.12778 71 72 73 74 75 V V V V V Eigenvalues -- 0.53041 0.53411 0.54682 0.57017 0.57365 1 1 C 1S -0.00564 0.00198 -0.00158 -0.01611 -0.03649 2 2S 0.24048 0.12040 0.02485 0.08117 -0.12742 3 2PX 0.24229 0.12690 -0.08503 0.17300 -0.16625 4 2PY 0.09156 0.12652 -0.01581 -0.25057 0.29886 5 2PZ -0.05659 0.02619 -0.08679 -0.04496 0.04126 6 3S -0.30103 -0.10691 0.15459 -0.03459 0.75118 7 3PX -0.16676 -0.13495 0.20821 -0.08717 0.26192 8 3PY -0.12942 -0.17915 -0.16471 0.26667 -0.29087 9 3PZ 0.14530 -0.02257 -0.23862 -0.02202 -0.61185 10 4XX -0.00140 -0.00624 0.00006 0.00761 0.02765 11 4YY 0.04611 0.03432 0.00232 -0.01838 -0.06993 12 4ZZ -0.01633 0.00038 0.00636 0.00428 -0.01066 13 4XY 0.00379 0.00183 0.00230 0.02934 0.00356 14 4XZ 0.00865 0.01229 0.00540 -0.01520 0.02860 15 4YZ 0.03571 0.00752 0.00001 -0.03008 -0.00756 16 2 C 1S 0.00181 0.00640 0.01238 0.03624 -0.00186 17 2S 0.08207 0.08044 -0.01304 -0.00521 -0.09637 18 2PX 0.14739 -0.04213 -0.06973 0.05093 -0.06575 19 2PY 0.00078 0.05712 -0.00174 -0.18364 0.07604 20 2PZ 0.09218 -0.06529 -0.01912 0.08084 -0.33008 21 3S 0.22407 -0.11345 -0.40052 0.12301 -0.98691 22 3PX -0.20492 0.20551 0.15665 -0.10526 0.16688 23 3PY 0.25355 -0.02771 -0.21112 0.22031 -0.74804 24 3PZ -0.09965 0.20496 -0.23149 -0.34089 0.27227 25 4XX 0.01059 0.00344 -0.00585 -0.03071 0.03509 26 4YY -0.03744 0.00006 0.00460 0.05799 -0.03431 27 4ZZ 0.04555 0.02363 0.00109 0.01569 -0.03991 28 4XY 0.02720 0.00449 -0.01740 0.03786 -0.04095 29 4XZ -0.03809 -0.01299 0.00015 -0.04592 0.04316 30 4YZ -0.00367 -0.02369 0.00347 0.01377 0.00832 31 3 C 1S 0.00179 0.00641 -0.01238 0.03622 0.00193 32 2S 0.08207 0.08045 0.01309 -0.00544 0.09623 33 2PX 0.14743 -0.04213 0.06963 0.05101 0.06598 34 2PY -0.00075 -0.05712 -0.00182 0.18352 0.07636 35 2PZ 0.09226 -0.06537 0.01903 0.08033 0.33027 36 3S 0.22471 -0.11387 0.40031 0.12147 0.98729 37 3PX -0.20507 0.20562 -0.15640 -0.10522 -0.16713 38 3PY -0.25395 0.02792 -0.21098 -0.21899 -0.74834 39 3PZ -0.09944 0.20484 0.23165 -0.34049 -0.27304 40 4XX 0.01060 0.00344 0.00586 -0.03063 -0.03514 41 4YY -0.03745 0.00005 -0.00460 0.05790 0.03440 42 4ZZ 0.04555 0.02363 -0.00109 0.01561 0.03993 43 4XY -0.02720 -0.00448 -0.01740 -0.03780 -0.04101 44 4XZ -0.03811 -0.01300 -0.00014 -0.04584 -0.04323 45 4YZ 0.00364 0.02368 0.00348 -0.01378 0.00828 46 4 C 1S -0.00563 0.00197 0.00159 -0.01618 0.03645 47 2S 0.24049 0.12039 -0.02491 0.08089 0.12742 48 2PX 0.24237 0.12692 0.08483 0.17277 0.16666 49 2PY -0.09149 -0.12651 -0.01591 0.25006 0.29945 50 2PZ -0.05656 0.02614 0.08681 -0.04473 -0.04121 51 3S -0.30146 -0.10667 -0.15448 -0.03320 -0.75114 52 3PX -0.16696 -0.13489 -0.20805 -0.08678 -0.26210 53 3PY 0.12916 0.17929 -0.16469 -0.26619 -0.29166 54 3PZ 0.14578 -0.02280 0.23853 -0.02325 0.61171 55 4XX -0.00140 -0.00623 -0.00006 0.00767 -0.02762 56 4YY 0.04613 0.03432 -0.00231 -0.01853 0.06988 57 4ZZ -0.01635 0.00037 -0.00635 0.00426 0.01066 58 4XY -0.00380 -0.00184 0.00231 -0.02933 0.00349 59 4XZ 0.00865 0.01230 -0.00540 -0.01517 -0.02862 60 4YZ -0.03570 -0.00750 0.00002 0.03008 -0.00748 61 5 H 1S -0.12796 -0.05371 0.01341 0.12764 -0.16201 62 2S 0.09604 0.02639 0.10859 -0.04069 0.09919 63 6 H 1S -0.12794 -0.05373 -0.01340 0.12732 0.16224 64 2S 0.09592 0.02646 -0.10862 -0.04053 -0.09930 65 7 C 1S 0.01558 -0.00732 -0.05308 0.00443 -0.01016 66 2S 0.06310 0.23116 0.12359 0.14763 -0.21232 67 2PX 0.21071 -0.38941 -0.16959 0.11883 -0.05103 68 2PY 0.15268 0.00976 0.03923 -0.07945 0.12203 69 2PZ 0.00134 -0.07388 0.09131 0.01564 -0.24521 70 3S 0.01023 -0.30004 1.13730 -0.45029 0.77783 71 3PX -0.16755 0.49311 -0.11936 -0.18217 -0.01630 72 3PY -0.29001 0.00543 0.91175 0.28423 0.03924 73 3PZ -0.11893 0.05439 0.34794 -0.00842 0.69121 74 4XX 0.00589 -0.01554 -0.01097 -0.02034 0.00931 75 4YY 0.01911 0.03914 0.00178 0.01235 -0.02745 76 4ZZ 0.00676 -0.00920 -0.00147 0.03424 -0.00806 77 4XY 0.01446 -0.04170 0.01512 0.02007 0.00521 78 4XZ -0.01460 -0.00765 0.02099 -0.00391 -0.00569 79 4YZ -0.01266 0.03252 -0.01287 0.03676 0.00160 80 8 C 1S 0.01561 -0.00735 0.05308 0.00440 0.01016 81 2S 0.06308 0.23112 -0.12338 0.14726 0.21247 82 2PX 0.21080 -0.38940 0.16925 0.11883 0.05118 83 2PY -0.15261 -0.00987 0.03917 0.07897 0.12215 84 2PZ 0.00132 -0.07389 -0.09135 0.01510 0.24512 85 3S 0.00954 -0.29903 -1.13751 -0.44919 -0.77869 86 3PX -0.16754 0.49283 0.11983 -0.18233 0.01586 87 3PY 0.29039 -0.00595 0.91197 -0.28389 0.03871 88 3PZ -0.11919 0.05482 -0.34761 -0.00739 -0.69109 89 4XX 0.00589 -0.01553 0.01096 -0.02031 -0.00936 90 4YY 0.01912 0.03914 -0.00173 0.01227 0.02745 91 4ZZ 0.00676 -0.00920 0.00144 0.03423 0.00812 92 4XY -0.01444 0.04169 0.01515 -0.02008 0.00517 93 4XZ -0.01461 -0.00764 -0.02099 -0.00393 0.00570 94 4YZ 0.01266 -0.03250 -0.01289 -0.03677 0.00155 95 9 H 1S -0.12420 -0.02836 -0.01480 0.33742 0.17988 96 2S 0.21046 0.09001 0.04625 -0.05274 0.22137 97 10 H 1S -0.12423 -0.02835 0.01480 0.33779 -0.17925 98 2S 0.21036 0.09006 -0.04634 -0.05236 -0.22159 99 11 C 1S -0.00371 -0.00176 0.00776 -0.00967 -0.00365 100 2S 0.16902 0.03766 -0.02050 0.09797 0.18367 101 2PX -0.24019 0.03395 -0.04976 -0.27585 -0.23653 102 2PY -0.06808 0.12028 0.04407 0.26254 -0.02319 103 2PZ 0.31607 0.21591 0.03901 0.08048 0.24412 104 3S -0.22602 -0.07138 -0.06310 -0.35818 -0.84438 105 3PX 0.27790 -0.07983 0.11510 0.36280 0.57267 106 3PY 0.09035 -0.17327 0.08159 -0.35904 0.36779 107 3PZ -0.34687 -0.29579 -0.08850 -0.02434 -0.63980 108 4XX 0.00586 0.04766 -0.01009 0.00005 0.01471 109 4YY 0.03996 -0.01688 0.00311 -0.02774 -0.00237 110 4ZZ -0.01976 -0.02365 0.00547 0.01840 -0.00923 111 4XY -0.00557 0.01682 0.00019 0.01246 0.00699 112 4XZ -0.02069 0.00016 -0.00984 0.00232 0.00234 113 4YZ 0.01691 0.03140 0.00037 -0.03901 -0.00757 114 12 H 1S -0.14571 -0.15817 0.01565 0.11134 -0.09401 115 2S 0.08335 0.04401 0.01416 0.02281 -0.12915 116 13 H 1S -0.01788 0.14798 -0.02509 0.01409 0.05045 117 2S 0.03860 -0.08092 0.01899 -0.02929 -0.08267 118 14 C 1S -0.00372 -0.00176 -0.00776 -0.00968 0.00364 119 2S 0.16900 0.03766 0.02044 0.09836 -0.18355 120 2PX -0.24018 0.03396 0.04989 -0.27623 0.23612 121 2PY 0.06801 -0.12032 0.04390 -0.26255 -0.02350 122 2PZ 0.31599 0.21592 -0.03907 0.08087 -0.24401 123 3S -0.22582 -0.07149 0.06314 -0.35980 0.84387 124 3PX 0.27787 -0.07984 -0.11532 0.36369 -0.57224 125 3PY -0.09004 0.17319 0.08183 0.35842 0.36808 126 3PZ -0.34673 -0.29583 0.08857 -0.02536 0.63989 127 4XX 0.00587 0.04767 0.01011 0.00009 -0.01472 128 4YY 0.03996 -0.01688 -0.00316 -0.02776 0.00233 129 4ZZ -0.01977 -0.02366 -0.00546 0.01840 0.00926 130 4XY 0.00557 -0.01681 0.00019 -0.01247 0.00695 131 4XZ -0.02068 0.00017 0.00985 0.00232 -0.00234 132 4YZ -0.01691 -0.03140 0.00036 0.03902 -0.00751 133 15 H 1S -0.14572 -0.15817 -0.01564 0.11119 0.09420 134 2S 0.08336 0.04401 -0.01416 0.02258 0.12921 135 16 H 1S -0.01786 0.14798 0.02517 0.01419 -0.05037 136 2S 0.03858 -0.08090 -0.01903 -0.02949 0.08261 137 17 H 1S -0.02050 0.11914 0.06603 0.15074 0.02236 138 2S -0.14236 -0.07734 -0.44082 0.11703 -0.13744 139 18 H 1S -0.02054 0.11918 -0.06595 0.15086 -0.02215 140 2S -0.14215 -0.07767 0.44082 0.11692 0.13781 141 19 O 1S -0.00684 0.00077 0.01248 -0.00457 0.00377 142 2S 0.08029 -0.16960 -0.09228 -0.00828 -0.00558 143 2PX -0.01587 -0.07259 0.00404 -0.00799 0.01592 144 2PY 0.16006 -0.18230 -0.28469 -0.08663 0.04974 145 2PZ -0.04336 -0.03372 0.05231 -0.04925 -0.06449 146 3S -0.26591 0.62479 0.39575 0.15571 -0.27029 147 3PX 0.03656 0.03197 -0.30859 0.04041 -0.14017 148 3PY -0.07383 0.20183 0.03561 0.04251 -0.05900 149 3PZ 0.04987 -0.15975 0.11004 -0.07117 0.05618 150 4XX 0.01496 -0.04570 0.02723 0.00303 -0.02930 151 4YY -0.01478 -0.00488 0.00371 0.00238 0.00241 152 4ZZ 0.01613 -0.05295 -0.02125 -0.01111 0.00321 153 4XY 0.00090 0.00524 -0.06193 0.00508 -0.01651 154 4XZ 0.02738 -0.04382 -0.04621 -0.00011 0.02624 155 4YZ 0.00168 -0.00883 0.01957 0.00625 -0.00077 156 20 O 1S -0.00684 0.00078 -0.01247 -0.00456 -0.00378 157 2S 0.08032 -0.16965 0.09218 -0.00832 0.00546 158 2PX -0.01588 -0.07257 -0.00405 -0.00793 -0.01594 159 2PY -0.16018 0.18244 -0.28452 0.08651 0.04993 160 2PZ -0.04342 -0.03371 -0.05236 -0.04938 0.06434 161 3S -0.26601 0.62486 -0.39545 0.15523 0.27095 162 3PX 0.03674 0.03174 0.30859 0.04021 0.14025 163 3PY 0.07384 -0.20178 0.03554 -0.04238 -0.05919 164 3PZ 0.04982 -0.15967 -0.11016 -0.07106 -0.05633 165 4XX 0.01496 -0.04569 -0.02724 0.00295 0.02927 166 4YY -0.01479 -0.00487 -0.00371 0.00238 -0.00241 167 4ZZ 0.01614 -0.05297 0.02124 -0.01112 -0.00328 168 4XY -0.00093 -0.00518 -0.06193 -0.00505 -0.01650 169 4XZ 0.02739 -0.04383 0.04615 -0.00004 -0.02624 170 4YZ -0.00168 0.00883 0.01957 -0.00624 -0.00079 171 21 C 1S 0.01480 -0.02373 -0.00001 -0.00488 -0.00001 172 2S -0.12829 0.14514 0.00010 0.04262 0.00009 173 2PX -0.25240 0.23399 0.00013 -0.00948 0.00010 174 2PY -0.00021 0.00032 -0.84184 0.00004 -0.01985 175 2PZ 0.11932 -0.27312 -0.00016 -0.17863 -0.00026 176 3S 0.19931 -0.25621 -0.00015 -0.05977 -0.00016 177 3PX 0.42868 -0.21408 -0.00001 -0.01927 -0.00038 178 3PY 0.00037 -0.00054 1.45707 -0.00009 0.06912 179 3PZ -0.20528 0.57007 0.00024 0.50286 0.00078 180 4XX -0.00478 0.01347 0.00000 0.00464 0.00001 181 4YY 0.03157 -0.02821 -0.00001 -0.01604 -0.00003 182 4ZZ 0.00023 -0.02571 -0.00001 -0.00238 -0.00001 183 4XY 0.00001 -0.00002 0.07801 0.00001 -0.00727 184 4XZ -0.00651 0.03323 0.00003 0.01473 0.00001 185 4YZ 0.00000 0.00000 -0.03732 -0.00002 0.01228 186 22 H 1S 0.04558 -0.16925 -0.00003 -0.05856 -0.00013 187 2S 0.04773 -0.08219 0.00005 -0.22648 -0.00036 188 23 H 1S 0.01013 0.13737 0.00008 0.04852 0.00001 189 2S 0.06578 0.09262 0.00005 0.11424 0.00009 76 77 78 79 80 V V V V V Eigenvalues -- 0.58249 0.58292 0.60597 0.62645 0.64669 1 1 C 1S 0.00584 -0.03421 -0.03173 -0.01262 -0.05547 2 2S 0.12942 0.03446 -0.25535 -0.05694 0.18077 3 2PX -0.27923 0.22332 -0.28200 0.07769 0.04385 4 2PY 0.05207 -0.00486 -0.17026 -0.15620 0.20099 5 2PZ -0.11110 0.03158 -0.37526 -0.06251 -0.11232 6 3S 0.08355 0.46118 0.36792 0.53621 -0.25838 7 3PX 0.24743 -0.02175 0.26718 0.01708 0.05753 8 3PY -0.07583 -0.24457 0.10797 0.23259 -0.45510 9 3PZ -0.01162 -0.70398 0.43462 -0.23723 -0.19081 10 4XX -0.00729 0.01969 0.00897 0.02716 0.03745 11 4YY 0.02015 -0.00665 -0.04867 -0.03027 -0.04947 12 4ZZ 0.01925 -0.03020 -0.06213 -0.00614 -0.02547 13 4XY -0.00812 -0.00555 -0.03206 -0.00823 0.00424 14 4XZ -0.02572 -0.00232 0.07267 -0.02852 0.02727 15 4YZ 0.00021 -0.00216 -0.00731 0.02142 -0.01831 16 2 C 1S 0.00888 0.00934 0.02908 0.02168 0.02630 17 2S 0.08550 -0.05725 -0.18624 0.03490 -0.02388 18 2PX -0.02875 0.31452 0.00976 0.32418 0.17001 19 2PY 0.08484 -0.13209 -0.06473 0.14520 -0.05244 20 2PZ 0.07126 -0.07090 -0.13892 0.12601 -0.36224 21 3S -0.15615 -0.30085 0.35850 -0.46923 0.01144 22 3PX 0.07534 -0.28564 -0.07164 -0.30991 -0.15396 23 3PY -0.26328 -0.03700 0.04291 -0.97355 0.04348 24 3PZ -0.24035 -0.54031 -0.00880 -0.40634 0.12388 25 4XX -0.00087 0.00086 0.00583 0.01251 -0.01638 26 4YY 0.00428 -0.01007 -0.03165 -0.02123 0.03419 27 4ZZ 0.01252 0.00563 0.03950 0.02514 0.01700 28 4XY 0.02277 0.02071 -0.02103 0.01567 0.01089 29 4XZ -0.01223 -0.00584 -0.05174 0.02296 -0.04419 30 4YZ -0.00254 0.00999 0.01163 0.02274 0.01011 31 3 C 1S 0.00891 -0.00928 0.02909 0.02172 -0.02628 32 2S 0.08536 0.05761 -0.18626 0.03474 0.02396 33 2PX -0.02763 -0.31449 0.00974 0.32418 -0.16978 34 2PY -0.08437 -0.13245 0.06476 -0.14499 -0.05273 35 2PZ 0.07117 0.07122 -0.13891 0.12543 0.36224 36 3S -0.15655 0.30011 0.35860 -0.46958 -0.01204 37 3PX 0.07423 0.28592 -0.07163 -0.30998 0.15381 38 3PY 0.26295 -0.03595 -0.04293 0.97357 0.04451 39 3PZ -0.24214 0.53929 -0.00885 -0.40644 -0.12409 40 4XX -0.00088 -0.00089 0.00582 0.01251 0.01639 41 4YY 0.00426 0.01012 -0.03164 -0.02120 -0.03423 42 4ZZ 0.01256 -0.00556 0.03950 0.02513 -0.01695 43 4XY -0.02285 0.02060 0.02105 -0.01567 0.01089 44 4XZ -0.01227 0.00579 -0.05174 0.02291 0.04421 45 4YZ 0.00251 0.01000 -0.01166 -0.02276 0.01008 46 4 C 1S 0.00574 0.03422 -0.03173 -0.01271 0.05545 47 2S 0.12959 -0.03392 -0.25533 -0.05676 -0.18083 48 2PX -0.27837 -0.22412 -0.28205 0.07758 -0.04377 49 2PY -0.05193 -0.00496 0.17029 0.15597 0.20110 50 2PZ -0.11101 -0.03197 -0.37525 -0.06270 0.11229 51 3S 0.08454 -0.46087 0.36786 0.53636 0.25893 52 3PX 0.24714 0.02256 0.26723 0.01753 -0.05751 53 3PY 0.07657 -0.24463 -0.10798 -0.23166 -0.45535 54 3PZ -0.01355 0.70378 0.43465 -0.23799 0.19049 55 4XX -0.00724 -0.01970 0.00896 0.02721 -0.03743 56 4YY 0.02017 0.00671 -0.04866 -0.03033 0.04945 57 4ZZ 0.01915 0.03028 -0.06213 -0.00619 0.02545 58 4XY 0.00814 -0.00554 0.03206 0.00824 0.00423 59 4XZ -0.02574 0.00221 0.07268 -0.02846 -0.02728 60 4YZ -0.00021 -0.00216 0.00733 -0.02141 -0.01834 61 5 H 1S 0.05409 -0.07872 -0.31627 -0.09178 -0.17413 62 2S 0.01630 0.21884 -0.00293 0.11490 0.10991 63 6 H 1S 0.05390 0.07898 -0.31627 -0.09205 0.17396 64 2S 0.01694 -0.21876 -0.00294 0.11523 -0.10979 65 7 C 1S 0.01713 -0.01931 -0.01706 -0.00679 0.02229 66 2S 0.28999 -0.05889 -0.03846 -0.11536 0.01573 67 2PX -0.15333 0.40952 -0.01951 -0.05593 -0.07509 68 2PY 0.17066 0.32190 -0.18691 0.12301 -0.33182 69 2PZ 0.13882 -0.13185 0.03309 -0.06765 0.14265 70 3S -0.16038 0.37692 -0.12913 0.36367 0.14452 71 3PX 0.44380 -1.05049 0.00344 -0.00362 0.25012 72 3PY -0.46853 -0.06527 0.39697 -0.31402 0.76148 73 3PZ -0.25017 0.11153 0.04099 -0.04658 -0.13349 74 4XX 0.01768 0.03018 -0.01017 0.01023 -0.04522 75 4YY 0.04862 -0.05330 -0.02622 0.00996 0.06452 76 4ZZ -0.02180 0.02935 -0.00096 -0.03994 -0.00360 77 4XY -0.03359 -0.00085 -0.00222 0.00513 0.00138 78 4XZ -0.02815 -0.00450 0.00235 0.01021 -0.00387 79 4YZ 0.02367 -0.01271 -0.00916 -0.05939 0.00981 80 8 C 1S 0.01704 0.01937 -0.01706 -0.00679 -0.02230 81 2S 0.28988 0.05995 -0.03843 -0.11550 -0.01586 82 2PX -0.15193 -0.41016 -0.01956 -0.05562 0.07506 83 2PY -0.17185 0.32126 0.18697 -0.12276 -0.33185 84 2PZ 0.13846 0.13239 0.03317 -0.06754 -0.14273 85 3S -0.15887 -0.37752 -0.12922 0.36493 -0.14411 86 3PX 0.44008 1.05218 0.00360 -0.00443 -0.25012 87 3PY 0.46846 -0.06358 -0.39711 0.31288 0.76169 88 3PZ -0.24981 -0.11237 0.04080 -0.04618 0.13359 89 4XX 0.01777 -0.03012 -0.01018 0.01019 0.04524 90 4YY 0.04845 0.05348 -0.02621 0.00999 -0.06453 91 4ZZ -0.02170 -0.02943 -0.00096 -0.03992 0.00356 92 4XY 0.03360 -0.00073 0.00222 -0.00514 0.00137 93 4XZ -0.02814 0.00441 0.00235 0.01019 0.00388 94 4YZ -0.02359 -0.01277 0.00915 0.05940 0.00985 95 9 H 1S 0.04964 -0.01765 -0.06014 -0.04089 -0.15383 96 2S -0.08910 0.05242 0.08310 -0.42054 0.05186 97 10 H 1S 0.04949 0.01798 -0.06016 -0.04101 0.15373 98 2S -0.08909 -0.05284 0.08310 -0.42043 -0.05223 99 11 C 1S -0.00588 -0.00319 -0.01173 -0.00304 -0.02001 100 2S 0.00915 0.03729 0.07004 -0.06129 0.05906 101 2PX -0.01191 0.09685 -0.13855 0.11835 0.17776 102 2PY 0.27881 -0.02675 0.09681 0.27457 -0.27644 103 2PZ -0.03287 -0.05763 0.14592 -0.15834 -0.13704 104 3S -0.24812 -0.11914 -0.03671 -0.09649 -0.38062 105 3PX 0.02177 -0.28209 0.27188 -0.31558 -0.48867 106 3PY -0.49955 0.34256 -0.07026 -0.64344 0.55971 107 3PZ 0.09889 0.11661 -0.24105 0.47734 0.39485 108 4XX 0.01865 0.01559 0.00731 0.02498 -0.00747 109 4YY -0.05386 -0.00806 0.01427 -0.06544 -0.03105 110 4ZZ 0.01852 -0.00035 -0.01550 0.01610 0.01499 111 4XY -0.01114 0.00925 -0.01495 -0.03492 0.00992 112 4XZ 0.01937 0.01851 -0.00465 0.02931 0.03334 113 4YZ 0.00126 -0.00669 0.01441 0.03397 -0.00648 114 12 H 1S 0.05007 0.00926 -0.15019 0.03702 0.02389 115 2S 0.05620 -0.08820 -0.01945 0.23088 -0.03206 116 13 H 1S 0.04361 0.01073 -0.09631 0.10365 -0.02478 117 2S -0.00612 -0.09282 -0.08774 0.14011 0.04390 118 14 C 1S -0.00589 0.00317 -0.01173 -0.00304 0.02001 119 2S 0.00917 -0.03723 0.07002 -0.06135 -0.05912 120 2PX -0.01138 -0.09696 -0.13851 0.11864 -0.17754 121 2PY -0.27874 -0.02798 -0.09689 -0.27448 -0.27672 122 2PZ -0.03322 0.05754 0.14590 -0.15851 0.13685 123 3S -0.24802 0.11808 -0.03664 -0.09641 0.38058 124 3PX 0.02036 0.28214 0.27179 -0.31643 0.48813 125 3PY 0.49869 0.34477 0.07041 0.64296 0.56045 126 3PZ 0.09974 -0.11615 -0.24098 0.47777 -0.39430 127 4XX 0.01869 -0.01550 0.00730 0.02496 0.00749 128 4YY -0.05388 0.00784 0.01428 -0.06543 0.03100 129 4ZZ 0.01853 0.00041 -0.01550 0.01609 -0.01499 130 4XY 0.01113 0.00928 0.01495 0.03493 0.00997 131 4XZ 0.01943 -0.01842 -0.00464 0.02935 -0.03331 132 4YZ -0.00125 -0.00669 -0.01440 -0.03398 -0.00651 133 15 H 1S 0.05016 -0.00905 -0.15018 0.03699 -0.02386 134 2S 0.05603 0.08843 -0.01943 0.23082 0.03228 135 16 H 1S 0.04361 -0.01048 -0.09632 0.10372 0.02484 136 2S -0.00637 0.09277 -0.08770 0.14019 -0.04370 137 17 H 1S 0.07966 0.11292 -0.04664 -0.29996 -0.19591 138 2S -0.34546 -0.08500 0.19251 -0.04759 -0.13942 139 18 H 1S 0.08008 -0.11265 -0.04668 -0.30010 0.19558 140 2S -0.34596 0.08384 0.19254 -0.04802 0.13938 141 19 O 1S -0.00071 0.00088 0.00393 0.00280 -0.00559 142 2S 0.14483 -0.07499 -0.02416 -0.12862 0.01182 143 2PX -0.02956 0.06672 -0.01762 -0.02361 -0.08603 144 2PY 0.05414 0.03372 -0.03973 0.12466 -0.05796 145 2PZ 0.11949 -0.08343 0.00201 -0.03875 -0.05792 146 3S -0.41847 -0.12227 0.05882 0.22987 0.23290 147 3PX 0.02832 -0.06888 0.02943 0.00906 0.13490 148 3PY -0.09404 -0.04922 -0.06803 0.04133 0.00769 149 3PZ -0.04630 0.16695 -0.01202 0.04069 -0.02848 150 4XX 0.04444 -0.04124 0.00667 -0.04047 0.03512 151 4YY 0.01085 -0.01299 -0.00890 -0.03628 -0.01875 152 4ZZ 0.05732 -0.04079 -0.00432 -0.04199 -0.00244 153 4XY 0.02364 -0.03588 0.00069 -0.02320 0.00374 154 4XZ -0.02228 0.05858 -0.01144 0.00161 -0.02440 155 4YZ -0.01673 0.02152 -0.00409 0.00719 -0.00299 156 20 O 1S -0.00070 -0.00089 0.00392 0.00281 0.00559 157 2S 0.14453 0.07544 -0.02415 -0.12859 -0.01196 158 2PX -0.02934 -0.06684 -0.01763 -0.02360 0.08602 159 2PY -0.05416 0.03357 0.03974 -0.12465 -0.05810 160 2PZ 0.11920 0.08384 0.00202 -0.03882 0.05789 161 3S -0.41862 0.12105 0.05892 0.22955 -0.23274 162 3PX 0.02804 0.06902 0.02948 0.00898 -0.13488 163 3PY 0.09420 -0.04893 0.06802 -0.04124 0.00771 164 3PZ -0.04568 -0.16717 -0.01204 0.04080 0.02854 165 4XX 0.04432 0.04139 0.00667 -0.04044 -0.03516 166 4YY 0.01080 0.01302 -0.00891 -0.03627 0.01871 167 4ZZ 0.05716 0.04097 -0.00432 -0.04200 0.00240 168 4XY -0.02349 -0.03594 -0.00070 0.02321 0.00375 169 4XZ -0.02210 -0.05868 -0.01145 0.00163 0.02439 170 4YZ 0.01663 0.02157 0.00409 -0.00721 -0.00299 171 21 C 1S 0.01339 0.00002 -0.00393 -0.00911 -0.00001 172 2S -0.13394 -0.00018 0.01475 0.00602 -0.00001 173 2PX -0.31973 -0.00049 0.04695 0.11432 0.00004 174 2PY 0.00061 -0.28185 -0.00002 0.00005 0.00409 175 2PZ 0.28013 0.00041 -0.03446 -0.08443 -0.00003 176 3S 0.20425 0.00028 0.07412 0.04484 0.00008 177 3PX 1.23024 0.00205 -0.08586 -0.44183 -0.00017 178 3PY -0.00094 0.46361 0.00003 -0.00013 -0.04105 179 3PZ -0.95373 -0.00150 0.09761 0.31125 0.00011 180 4XX -0.02723 -0.00004 -0.00286 0.01225 0.00000 181 4YY 0.03110 0.00004 0.00298 0.02450 0.00002 182 4ZZ 0.03339 0.00006 -0.00042 -0.05074 -0.00003 183 4XY -0.00003 0.00163 0.00000 0.00000 0.00913 184 4XZ 0.03159 0.00006 -0.00662 -0.01388 -0.00001 185 4YZ -0.00002 0.02013 0.00000 0.00000 0.00020 186 22 H 1S 0.23742 0.00039 -0.02160 -0.21991 -0.00012 187 2S 0.56475 0.00094 -0.08101 -0.10696 -0.00003 188 23 H 1S 0.20355 0.00037 -0.03741 -0.10421 -0.00006 189 2S 0.10942 0.00020 0.00858 -0.05204 -0.00002 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 -0.02707 0.01105 0.00309 0.00262 0.01279 2 2S 0.03193 0.07475 -0.11106 0.06391 -0.01139 3 2PX -0.20962 -0.42528 -0.03948 0.10120 0.28316 4 2PY 0.11670 -0.02751 -0.03273 0.01843 -0.22137 5 2PZ -0.17573 -0.32680 -0.09975 0.03113 0.05304 6 3S -0.27764 -0.33991 -0.06850 0.21065 0.31224 7 3PX 0.34109 0.67927 -0.04584 -0.30911 -0.49929 8 3PY -0.37541 -0.37665 -0.06256 -0.11396 0.00583 9 3PZ 0.24930 0.65691 0.30940 -0.15576 -0.61321 10 4XX 0.00580 -0.00644 0.00539 -0.00330 -0.00986 11 4YY -0.02393 -0.00063 -0.01209 0.01484 0.02902 12 4ZZ -0.01606 0.01299 -0.00242 0.00507 0.00714 13 4XY 0.00470 0.00628 -0.00836 0.00299 0.00716 14 4XZ 0.04811 0.00090 0.02598 -0.00399 -0.00669 15 4YZ 0.00863 -0.00421 -0.05506 0.02040 -0.01718 16 2 C 1S 0.01398 0.00841 0.01429 0.00263 -0.00059 17 2S -0.21847 -0.01739 -0.19795 -0.20499 -0.02585 18 2PX -0.26817 0.02132 0.00020 -0.60140 -0.31953 19 2PY -0.18278 0.00763 -0.29997 0.00462 0.13177 20 2PZ -0.06305 0.03472 0.04327 0.05532 -0.20388 21 3S 0.73999 0.24345 0.43033 0.65663 -0.46666 22 3PX 0.39111 -0.13898 0.38479 1.28393 0.57613 23 3PY 0.61092 0.01684 0.67420 -0.02731 -0.44649 24 3PZ -0.24656 -0.38562 0.09312 -0.44613 -0.10058 25 4XX -0.00163 -0.01035 -0.01114 0.01101 -0.01417 26 4YY 0.01557 0.00521 0.03446 -0.03788 0.00751 27 4ZZ -0.01440 0.00482 -0.01711 0.00587 -0.01528 28 4XY -0.00391 -0.02112 -0.01555 -0.00186 -0.02190 29 4XZ -0.03869 -0.02207 0.00295 -0.00525 0.01397 30 4YZ -0.01259 0.02804 -0.00584 -0.01375 0.01527 31 3 C 1S -0.01397 -0.00843 0.01428 0.00264 0.00059 32 2S 0.21855 0.01761 -0.19786 -0.20496 0.02616 33 2PX 0.26837 -0.02130 0.00010 -0.60140 0.31953 34 2PY -0.18291 0.00735 0.29996 -0.00470 0.13150 35 2PZ 0.06297 -0.03476 0.04329 0.05535 0.20324 36 3S -0.74043 -0.24394 0.42949 0.65682 0.46620 37 3PX -0.39145 0.13870 0.38504 1.28411 -0.57623 38 3PY 0.61149 0.01743 -0.67384 0.02748 -0.44603 39 3PZ 0.24665 0.38554 0.09342 -0.44627 0.10180 40 4XX 0.00163 0.01037 -0.01113 0.01102 0.01414 41 4YY -0.01559 -0.00526 0.03444 -0.03788 -0.00751 42 4ZZ 0.01442 -0.00480 -0.01712 0.00589 0.01534 43 4XY -0.00391 -0.02114 0.01551 0.00186 -0.02189 44 4XZ 0.03871 0.02206 0.00298 -0.00527 -0.01398 45 4YZ -0.01261 0.02804 0.00587 0.01374 0.01520 46 4 C 1S 0.02706 -0.01105 0.00308 0.00262 -0.01282 47 2S -0.03196 -0.07464 -0.11114 0.06393 0.01156 48 2PX 0.20963 0.42529 -0.03912 0.10118 -0.28297 49 2PY 0.11679 -0.02754 0.03269 -0.01839 -0.22123 50 2PZ 0.17570 0.32685 -0.09939 0.03107 -0.05329 51 3S 0.27795 0.34000 -0.06794 0.21060 -0.31284 52 3PX -0.34101 -0.67914 -0.04641 -0.30913 0.49901 53 3PY -0.37556 -0.37666 0.06206 0.11394 0.00533 54 3PZ -0.24951 -0.65724 0.30854 -0.15561 0.61350 55 4XX -0.00579 0.00643 0.00540 -0.00330 0.00989 56 4YY 0.02391 0.00065 -0.01211 0.01485 -0.02902 57 4ZZ 0.01605 -0.01298 -0.00241 0.00506 -0.00718 58 4XY 0.00471 0.00628 0.00836 -0.00300 0.00715 59 4XZ -0.04813 -0.00093 0.02596 -0.00398 0.00670 60 4YZ 0.00860 -0.00426 0.05506 -0.02040 -0.01716 61 5 H 1S -0.12506 0.04823 0.07859 0.01080 0.11879 62 2S 0.07860 -0.20177 -0.22976 0.01105 0.02319 63 6 H 1S 0.12494 -0.04829 0.07856 0.01081 -0.11898 64 2S -0.07850 0.20195 -0.22950 0.01104 -0.02321 65 7 C 1S -0.00302 -0.01237 0.01252 -0.01722 -0.00356 66 2S -0.14492 0.01096 -0.24295 -0.17820 -0.30945 67 2PX 0.25108 0.24596 0.00247 0.08652 0.33636 68 2PY -0.09192 0.03573 0.19386 0.05973 -0.35312 69 2PZ -0.00408 0.02771 -0.30357 0.10751 0.10839 70 3S 0.82841 0.15672 0.58351 0.73299 1.81406 71 3PX -0.69237 -0.66917 -0.20411 -0.10510 -0.96939 72 3PY 0.46497 -0.11368 -0.42029 -0.34483 1.05964 73 3PZ 0.46834 0.05518 0.52445 0.00356 0.36087 74 4XX -0.01584 0.02124 0.02835 0.00625 -0.02786 75 4YY 0.01913 -0.00451 -0.00310 -0.01198 0.05516 76 4ZZ -0.00200 -0.00771 -0.03120 -0.02418 -0.01514 77 4XY 0.00552 0.00004 0.01235 0.04184 0.01506 78 4XZ -0.01721 -0.01092 -0.01009 -0.00442 -0.00251 79 4YZ 0.00194 -0.00794 0.01284 -0.01986 -0.00169 80 8 C 1S 0.00301 0.01236 0.01252 -0.01722 0.00355 81 2S 0.14486 -0.01083 -0.24291 -0.17821 0.30957 82 2PX -0.25112 -0.24589 0.00229 0.08648 -0.33616 83 2PY -0.09200 0.03588 -0.19386 -0.05973 -0.35321 84 2PZ 0.00408 -0.02744 -0.30360 0.10747 -0.10830 85 3S -0.82816 -0.15695 0.58309 0.73327 -1.81376 86 3PX 0.69242 0.66927 -0.20358 -0.10510 0.96929 87 3PY 0.46530 -0.11391 0.42057 0.34458 1.06006 88 3PZ -0.46832 -0.05563 0.52446 0.00394 -0.36071 89 4XX 0.01585 -0.02127 0.02834 0.00625 0.02781 90 4YY -0.01912 0.00451 -0.00312 -0.01198 -0.05512 91 4ZZ 0.00198 0.00773 -0.03119 -0.02417 0.01514 92 4XY 0.00551 0.00003 -0.01235 -0.04184 0.01502 93 4XZ 0.01721 0.01094 -0.01008 -0.00442 0.00246 94 4YZ 0.00198 -0.00792 -0.01284 0.01986 -0.00173 95 9 H 1S -0.00802 -0.11812 0.09491 -0.08245 -0.11903 96 2S -0.08422 0.02826 0.18087 0.03282 0.15543 97 10 H 1S 0.00794 0.11801 0.09508 -0.08248 0.11914 98 2S 0.08396 -0.02841 0.18092 0.03272 -0.15571 99 11 C 1S 0.03344 -0.01268 0.00232 -0.02057 -0.00224 100 2S -0.36321 0.14248 -0.06151 0.07659 0.02998 101 2PX 0.18187 -0.05326 0.11958 -0.02761 -0.17399 102 2PY 0.43156 -0.38022 0.03929 0.27252 -0.05979 103 2PZ -0.18933 0.00869 0.21916 0.14525 0.11628 104 3S 1.35455 -0.49360 -0.19865 -0.88295 -0.04533 105 3PX -0.73046 0.17902 -0.18237 0.18473 0.57159 106 3PY -1.10617 1.17790 -0.02533 -0.60380 0.56084 107 3PZ 0.70756 -0.22558 -0.55598 -0.47815 -0.48911 108 4XX -0.00853 0.02159 0.02301 -0.02159 0.01868 109 4YY 0.03527 -0.03474 -0.01660 -0.01566 -0.00761 110 4ZZ -0.01896 0.01541 -0.02913 0.00280 -0.01238 111 4XY -0.00600 0.00584 0.08187 0.00065 0.00116 112 4XZ -0.00445 -0.02044 0.01862 0.04491 -0.02132 113 4YZ 0.00856 0.00058 0.01216 -0.02205 0.00458 114 12 H 1S 0.08929 -0.09926 -0.11472 -0.01210 -0.17246 115 2S 0.27929 -0.27594 -0.11294 -0.12625 -0.24067 116 13 H 1S 0.16707 -0.09453 0.26503 -0.14314 0.00027 117 2S 0.29329 -0.23791 -0.07193 0.08444 -0.29265 118 14 C 1S -0.03343 0.01269 0.00233 -0.02057 0.00227 119 2S 0.36316 -0.14242 -0.06156 0.07658 -0.02991 120 2PX -0.18184 0.05331 0.11953 -0.02742 0.17435 121 2PY 0.43140 -0.38019 -0.03960 -0.27245 -0.05962 122 2PZ 0.18927 -0.00897 0.21921 0.14512 -0.11644 123 3S -1.35452 0.49369 -0.19861 -0.88294 0.04545 124 3PX 0.73042 -0.17927 -0.18207 0.18420 -0.57278 125 3PY -1.10554 1.17787 0.02626 0.60368 0.56070 126 3PZ -0.70735 0.22629 -0.55618 -0.47770 0.48970 127 4XX 0.00856 -0.02161 0.02304 -0.02159 -0.01861 128 4YY -0.03531 0.03475 -0.01661 -0.01567 0.00759 129 4ZZ 0.01897 -0.01538 -0.02915 0.00282 0.01239 130 4XY -0.00595 0.00590 -0.08186 -0.00066 0.00118 131 4XZ 0.00446 0.02043 0.01863 0.04490 0.02132 132 4YZ 0.00852 0.00060 -0.01215 0.02206 0.00450 133 15 H 1S -0.08926 0.09935 -0.11469 -0.01210 0.17252 134 2S -0.27912 0.27607 -0.11282 -0.12617 0.24111 135 16 H 1S -0.16698 0.09436 0.26511 -0.14312 0.00013 136 2S -0.29317 0.23798 -0.07187 0.08450 0.29293 137 17 H 1S -0.03785 0.14247 0.09279 -0.15542 -0.00479 138 2S -0.30787 -0.04329 -0.05792 -0.10456 -0.30466 139 18 H 1S 0.03762 -0.14263 0.09270 -0.15544 0.00485 140 2S 0.30783 0.04333 -0.05776 -0.10478 0.30440 141 19 O 1S 0.00306 0.00532 0.00254 0.01048 0.00591 142 2S 0.08949 0.08648 0.03196 -0.03923 0.05291 143 2PX 0.07766 0.11953 0.13652 0.13296 0.06781 144 2PY 0.03032 0.05690 0.09916 0.07880 0.01609 145 2PZ 0.01279 0.13664 0.09685 0.01336 0.01195 146 3S -0.51404 -0.45997 -0.39372 -0.21356 -0.50758 147 3PX -0.13521 -0.12460 -0.21863 -0.22019 -0.19599 148 3PY -0.08221 -0.06040 -0.05736 -0.05995 -0.10746 149 3PZ 0.06456 -0.00465 0.05048 0.05643 0.12983 150 4XX 0.01615 0.00966 -0.03322 -0.01997 0.01823 151 4YY 0.02505 0.03828 0.02549 -0.01241 -0.00106 152 4ZZ 0.01863 0.02236 0.01079 0.00365 0.02300 153 4XY -0.00930 -0.00120 -0.00983 -0.00299 -0.02225 154 4XZ 0.01857 0.00568 0.04168 -0.00042 0.02492 155 4YZ 0.02211 0.01685 0.00350 0.02438 0.04000 156 20 O 1S -0.00306 -0.00532 0.00254 0.01048 -0.00590 157 2S -0.08961 -0.08656 0.03187 -0.03917 -0.05302 158 2PX -0.07769 -0.11962 0.13642 0.13299 -0.06772 159 2PY 0.03021 0.05697 -0.09913 -0.07876 0.01596 160 2PZ -0.01282 -0.13674 0.09673 0.01337 -0.01193 161 3S 0.51424 0.46033 -0.39335 -0.21375 0.50763 162 3PX 0.13522 0.12473 -0.21858 -0.22022 0.19588 163 3PY -0.08221 -0.06046 0.05727 0.05995 -0.10737 164 3PZ -0.06455 0.00461 0.05052 0.05641 -0.12980 165 4XX -0.01618 -0.00965 -0.03324 -0.01996 -0.01823 166 4YY -0.02510 -0.03832 0.02546 -0.01238 0.00100 167 4ZZ -0.01866 -0.02238 0.01076 0.00366 -0.02303 168 4XY -0.00928 -0.00121 0.00981 0.00299 -0.02223 169 4XZ -0.01857 -0.00571 0.04168 -0.00043 -0.02492 170 4YZ 0.02210 0.01684 -0.00348 -0.02438 0.04000 171 21 C 1S 0.00000 -0.00001 0.00619 -0.02054 -0.00001 172 2S 0.00000 0.00003 -0.09203 -0.00953 0.00003 173 2PX 0.00003 -0.00001 0.01956 -0.03798 -0.00003 174 2PY 0.01455 0.05925 0.00000 0.00000 -0.04080 175 2PZ -0.00003 -0.00009 0.15468 -0.04690 -0.00002 176 3S 0.00004 0.00000 0.06206 0.10421 -0.00004 177 3PX -0.00011 0.00006 -0.30945 -0.03028 -0.00001 178 3PY -0.01164 -0.09537 -0.00004 0.00001 0.17812 179 3PZ 0.00012 0.00028 -0.41120 0.24288 0.00004 180 4XX 0.00000 0.00000 0.00406 0.01177 -0.00002 181 4YY 0.00001 0.00001 -0.02022 0.00828 0.00001 182 4ZZ -0.00002 -0.00002 0.01102 -0.04668 0.00000 183 4XY -0.00649 -0.01353 0.00000 0.00000 -0.00508 184 4XZ 0.00000 0.00002 -0.05215 0.01093 -0.00002 185 4YZ 0.00623 -0.00342 -0.00001 0.00001 0.00594 186 22 H 1S -0.00009 -0.00012 0.13365 -0.27280 -0.00003 187 2S -0.00004 -0.00006 0.03669 0.00104 -0.00003 188 23 H 1S -0.00004 0.00005 -0.20245 -0.11893 -0.00018 189 2S 0.00000 0.00006 -0.17285 0.04204 0.00014 86 87 88 89 90 V V V V V Eigenvalues -- 0.74707 0.76305 0.80486 0.81301 0.82474 1 1 C 1S -0.01221 -0.02004 0.02024 0.01430 0.00356 2 2S 0.02227 0.21874 -0.05084 -0.07748 -0.04119 3 2PX 0.22106 0.07105 -0.06550 -0.17883 0.09732 4 2PY -0.11362 -0.16079 0.17428 0.23604 0.00310 5 2PZ 0.05028 -0.20230 -0.02546 -0.05882 -0.06328 6 3S 0.27183 -0.95289 -0.57515 0.97458 -0.19779 7 3PX -0.16996 -0.23172 0.28370 0.25726 -0.19314 8 3PY 0.25375 0.45437 -0.64323 -0.65013 0.08908 9 3PZ -0.39432 0.45515 0.66260 -0.05548 0.20534 10 4XX 0.02253 0.02451 -0.00098 -0.04547 0.00856 11 4YY -0.01615 -0.00380 -0.02835 0.01700 -0.00640 12 4ZZ -0.00167 -0.02143 0.02641 0.02661 -0.00917 13 4XY -0.00061 0.02102 -0.00258 -0.02252 0.01102 14 4XZ 0.00212 -0.00215 -0.01638 -0.00748 -0.01045 15 4YZ 0.05016 -0.05554 -0.00009 0.02727 -0.02499 16 2 C 1S 0.01329 0.00256 -0.01210 -0.01071 -0.00456 17 2S 0.02106 0.13467 0.15469 0.27160 -0.12683 18 2PX -0.05432 -0.03425 0.34002 0.02902 -0.08322 19 2PY 0.28872 0.10293 0.08671 0.12304 -0.03062 20 2PZ -0.05013 -0.55730 0.16218 0.18855 -0.06282 21 3S -0.25801 0.13554 -0.58155 -0.73608 0.49457 22 3PX 0.13965 -0.12730 -1.21180 -0.01521 0.14569 23 3PY -1.04267 0.00911 -0.02340 -0.13542 0.11023 24 3PZ -0.15875 1.26013 0.06894 -0.78522 0.23277 25 4XX 0.01099 -0.03176 -0.02418 -0.00882 0.00131 26 4YY -0.03198 0.02712 0.03336 0.01841 -0.01717 27 4ZZ 0.01938 0.03470 -0.01518 -0.00202 0.00397 28 4XY -0.00145 -0.00034 -0.01275 0.00435 -0.00288 29 4XZ -0.00289 -0.00951 0.01783 -0.00125 0.00678 30 4YZ 0.00550 0.04400 0.00466 -0.01692 0.00797 31 3 C 1S 0.01329 0.00257 0.01209 -0.01070 -0.00456 32 2S 0.02104 0.13450 -0.15461 0.27151 -0.12683 33 2PX -0.05432 -0.03466 -0.34002 0.02897 -0.08318 34 2PY -0.28880 -0.10294 0.08670 -0.12312 0.03059 35 2PZ -0.05030 -0.55754 -0.16221 0.18853 -0.06281 36 3S -0.25832 0.13569 0.58136 -0.73560 0.49435 37 3PX 0.13956 -0.12639 1.21176 -0.01504 0.14547 38 3PY 1.04306 -0.00907 -0.02329 0.13550 -0.11006 39 3PZ -0.15859 1.25992 -0.06875 -0.78527 0.23255 40 4XX 0.01098 -0.03177 0.02418 -0.00885 0.00132 41 4YY -0.03197 0.02715 -0.03337 0.01843 -0.01717 42 4ZZ 0.01937 0.03467 0.01519 -0.00202 0.00396 43 4XY 0.00146 0.00036 -0.01274 -0.00434 0.00288 44 4XZ -0.00288 -0.00950 -0.01783 -0.00125 0.00678 45 4YZ -0.00551 -0.04402 0.00464 0.01692 -0.00798 46 4 C 1S -0.01221 -0.02003 -0.02024 0.01431 0.00356 47 2S 0.02229 0.21874 0.05082 -0.07752 -0.04129 48 2PX 0.22120 0.07131 0.06547 -0.17872 0.09730 49 2PY 0.11375 0.16112 0.17426 -0.23605 -0.00298 50 2PZ 0.05034 -0.20229 0.02546 -0.05900 -0.06328 51 3S 0.27202 -0.95267 0.57509 0.97443 -0.19730 52 3PX -0.17009 -0.23221 -0.28363 0.25686 -0.19292 53 3PY -0.25375 -0.45452 -0.64309 0.65045 -0.08935 54 3PZ -0.39484 0.45467 -0.66261 -0.05484 0.20516 55 4XX 0.02253 0.02451 0.00099 -0.04548 0.00856 56 4YY -0.01612 -0.00380 0.02835 0.01701 -0.00641 57 4ZZ -0.00169 -0.02141 -0.02643 0.02660 -0.00917 58 4XY 0.00062 -0.02102 -0.00258 0.02251 -0.01102 59 4XZ 0.00213 -0.00216 0.01637 -0.00746 -0.01046 60 4YZ -0.05015 0.05557 -0.00007 -0.02726 0.02499 61 5 H 1S -0.15961 -0.03629 0.01136 0.02816 0.08470 62 2S 0.32041 -0.11161 -0.43476 -0.20951 -0.17889 63 6 H 1S -0.15954 -0.03616 -0.01137 0.02823 0.08472 64 2S 0.32053 -0.11166 0.43467 -0.20989 -0.17881 65 7 C 1S 0.00482 -0.00630 0.00771 0.00232 -0.02182 66 2S -0.13196 0.14666 -0.06514 0.03747 0.01834 67 2PX 0.01066 0.16289 0.14953 0.09576 0.02937 68 2PY -0.02952 0.09341 -0.45786 -0.11418 0.01693 69 2PZ -0.02769 0.20272 -0.16800 -0.02388 -0.01197 70 3S 0.12628 0.23362 1.02562 -0.13390 0.06199 71 3PX 0.12461 -0.10674 -0.61654 -0.23521 -0.04044 72 3PY 0.12415 -0.32995 1.70496 0.30790 -0.11606 73 3PZ 0.06498 -0.18959 0.36412 0.14839 -0.05644 74 4XX -0.01209 -0.02358 -0.01204 0.02511 -0.04623 75 4YY -0.02139 0.03113 0.07973 -0.01744 0.01787 76 4ZZ 0.01806 0.00374 -0.02497 0.02679 -0.01481 77 4XY -0.07017 0.03947 0.00314 0.00064 0.00227 78 4XZ -0.02707 -0.02695 0.01692 -0.05695 0.05356 79 4YZ 0.05115 0.01248 -0.01769 0.02228 -0.02976 80 8 C 1S 0.00483 -0.00630 -0.00772 0.00232 -0.02182 81 2S -0.13209 0.14611 0.06510 0.03738 0.01839 82 2PX 0.01077 0.16334 -0.14943 0.09579 0.02941 83 2PY 0.02964 -0.09280 -0.45787 0.11427 -0.01689 84 2PZ -0.02763 0.20276 0.16793 -0.02388 -0.01206 85 3S 0.12696 0.23691 -1.02546 -0.13357 0.06203 86 3PX 0.12434 -0.10819 0.61645 -0.23536 -0.04056 87 3PY -0.12457 0.32791 1.70505 -0.30816 0.11575 88 3PZ 0.06504 -0.18861 -0.36366 0.14847 -0.05621 89 4XX -0.01210 -0.02362 0.01203 0.02511 -0.04623 90 4YY -0.02135 0.03123 -0.07974 -0.01742 0.01786 91 4ZZ 0.01804 0.00370 0.02497 0.02676 -0.01479 92 4XY 0.07018 -0.03949 0.00314 -0.00063 -0.00228 93 4XZ -0.02706 -0.02696 -0.01690 -0.05695 0.05356 94 4YZ -0.05116 -0.01246 -0.01773 -0.02229 0.02977 95 9 H 1S -0.03188 0.13884 -0.02178 0.04557 -0.05992 96 2S -0.43287 -0.05403 0.10156 0.00547 0.03191 97 10 H 1S -0.03196 0.13865 0.02175 0.04546 -0.05991 98 2S -0.43272 -0.05384 -0.10146 0.00555 0.03198 99 11 C 1S -0.00494 0.02119 -0.00061 0.00547 -0.00248 100 2S 0.06879 0.08098 -0.01305 0.05602 0.04217 101 2PX 0.04980 0.18937 0.01351 0.01744 -0.02776 102 2PY 0.14854 -0.13621 0.22717 0.00298 0.03279 103 2PZ -0.05477 -0.02913 0.38735 -0.06981 -0.03302 104 3S -0.26780 0.14553 0.07868 -0.35977 -0.14392 105 3PX -0.21964 -0.65420 0.23015 0.00996 0.03140 106 3PY -0.45992 0.14951 -1.04894 -0.17411 -0.05966 107 3PZ 0.30523 0.14150 -1.30890 0.19094 -0.01537 108 4XX 0.00632 0.02777 -0.04699 0.02608 0.00364 109 4YY -0.01692 0.00217 0.01877 -0.00964 0.00598 110 4ZZ 0.01476 0.00981 0.02143 -0.00799 -0.00602 111 4XY -0.04705 0.00059 -0.00245 -0.00566 0.01019 112 4XZ 0.01873 -0.00566 0.01296 0.00612 0.01203 113 4YZ 0.02496 0.04251 -0.01033 0.00552 0.01624 114 12 H 1S 0.01818 0.08890 0.17666 -0.00371 -0.05373 115 2S 0.26080 0.15236 -0.54924 0.21727 0.08000 116 13 H 1S -0.05714 0.24699 -0.19031 0.11707 0.02710 117 2S 0.20354 0.20533 0.36145 -0.02026 -0.04394 118 14 C 1S -0.00494 0.02120 0.00062 0.00547 -0.00248 119 2S 0.06880 0.08092 0.01307 0.05601 0.04215 120 2PX 0.04983 0.18923 -0.01357 0.01740 -0.02760 121 2PY -0.14851 0.13639 0.22726 -0.00294 -0.03280 122 2PZ -0.05476 -0.02904 -0.38737 -0.06985 -0.03284 123 3S -0.26789 0.14577 -0.07862 -0.35960 -0.14396 124 3PX -0.21971 -0.65384 -0.22994 0.01004 0.03091 125 3PY 0.45965 -0.15053 -1.04931 0.17389 0.05968 126 3PZ 0.30514 0.14120 1.30880 0.19112 -0.01601 127 4XX 0.00631 0.02780 0.04701 0.02608 0.00365 128 4YY -0.01689 0.00217 -0.01877 -0.00964 0.00598 129 4ZZ 0.01474 0.00978 -0.02143 -0.00799 -0.00604 130 4XY 0.04706 -0.00058 -0.00242 0.00568 -0.01019 131 4XZ 0.01875 -0.00568 -0.01295 0.00611 0.01203 132 4YZ -0.02496 -0.04252 -0.01035 -0.00552 -0.01623 133 15 H 1S 0.01813 0.08871 -0.17668 -0.00373 -0.05373 134 2S 0.26072 0.15213 0.54933 0.21727 0.07965 135 16 H 1S -0.05711 0.24704 0.19038 0.11705 0.02710 136 2S 0.20347 0.20500 -0.36151 -0.02037 -0.04364 137 17 H 1S 0.30459 0.03192 0.15992 0.11627 -0.23283 138 2S -0.30899 -0.22550 -0.76524 0.03717 0.12850 139 18 H 1S 0.30457 0.03197 -0.15993 0.11633 -0.23285 140 2S -0.30905 -0.22627 0.76530 0.03707 0.12827 141 19 O 1S -0.01075 0.00576 -0.00410 0.00801 -0.00381 142 2S -0.03442 -0.02269 0.03049 -0.18145 0.17792 143 2PX 0.04288 0.07613 -0.01804 0.19281 -0.17581 144 2PY -0.16265 0.08064 0.01313 0.04389 -0.02573 145 2PZ 0.07635 0.00937 -0.00088 -0.07580 0.20052 146 3S 0.25883 -0.07731 -0.13730 0.00580 -0.14759 147 3PX 0.05345 -0.11327 0.10034 -0.26601 0.11900 148 3PY 0.19199 -0.03865 -0.12399 -0.23142 0.13601 149 3PZ 0.04960 0.02473 -0.02620 -0.06397 -0.31851 150 4XX -0.00694 0.00825 0.01902 -0.04719 0.07343 151 4YY 0.02050 -0.01745 -0.02965 -0.06176 0.06073 152 4ZZ -0.04608 -0.01048 0.01717 -0.05525 0.03660 153 4XY 0.01375 -0.00857 -0.03108 0.02248 -0.03531 154 4XZ 0.03084 -0.00711 0.00348 0.03577 0.00758 155 4YZ -0.03917 0.01432 0.01024 -0.03355 -0.02395 156 20 O 1S -0.01075 0.00577 0.00410 0.00801 -0.00382 157 2S -0.03440 -0.02257 -0.03040 -0.18142 0.17795 158 2PX 0.04288 0.07625 0.01802 0.19286 -0.17585 159 2PY 0.16262 -0.08065 0.01319 -0.04387 0.02570 160 2PZ 0.07638 0.00939 0.00092 -0.07576 0.20046 161 3S 0.25872 -0.07825 0.13719 0.00565 -0.14768 162 3PX 0.05341 -0.11363 -0.10033 -0.26606 0.11904 163 3PY -0.19196 0.03882 -0.12408 0.23145 -0.13594 164 3PZ 0.04958 0.02490 0.02613 -0.06395 -0.31849 165 4XX -0.00693 0.00829 -0.01900 -0.04719 0.07343 166 4YY 0.02048 -0.01745 0.02968 -0.06178 0.06072 167 4ZZ -0.04607 -0.01043 -0.01714 -0.05522 0.03662 168 4XY -0.01375 0.00861 -0.03109 -0.02249 0.03531 169 4XZ 0.03086 -0.00707 -0.00349 0.03577 0.00759 170 4YZ 0.03918 -0.01439 0.01025 0.03354 0.02395 171 21 C 1S -0.01024 -0.01308 0.00001 -0.03638 0.04841 172 2S -0.06036 0.09776 0.00003 -0.29448 0.17737 173 2PX 0.10442 -0.07452 -0.00002 -0.33805 -0.11372 174 2PY -0.00004 0.00002 0.00343 0.00001 0.00007 175 2PZ 0.25453 -0.04913 -0.00005 -0.54430 -0.68814 176 3S 0.01734 -0.15505 -0.00010 0.67897 -0.44904 177 3PX -0.65936 0.20869 0.00000 0.61373 0.35055 178 3PY 0.00003 -0.00012 -0.07796 -0.00006 -0.00011 179 3PZ -0.78236 0.14682 0.00015 1.32616 1.42404 180 4XX -0.05423 -0.01384 0.00001 -0.05373 -0.04490 181 4YY -0.05374 0.03182 -0.00001 -0.02645 0.01356 182 4ZZ 0.06081 -0.01812 0.00001 0.01007 0.11145 183 4XY 0.00002 0.00000 -0.01159 0.00001 0.00000 184 4XZ -0.11370 0.00881 0.00000 -0.06834 -0.07691 185 4YZ -0.00002 0.00000 0.01395 -0.00001 -0.00001 186 22 H 1S 0.33033 -0.14058 0.00004 0.00718 0.76010 187 2S -0.03549 0.06877 -0.00010 -1.06671 -1.32160 188 23 H 1S -0.42921 -0.10622 0.00002 -0.53926 -0.10179 189 2S -0.18986 0.23681 0.00007 1.03417 1.09326 91 92 93 94 95 V V V V V Eigenvalues -- 0.83567 0.84782 0.84911 0.85913 0.86661 1 1 C 1S -0.01250 -0.01446 -0.01503 0.00238 -0.02008 2 2S 0.25386 0.11428 -0.04163 0.05275 0.19906 3 2PX 0.03017 -0.02813 -0.33323 0.01762 -0.18890 4 2PY 0.35213 -0.15187 -0.43440 0.10290 -0.09691 5 2PZ 0.04062 0.08899 0.27546 -0.19399 0.45525 6 3S -1.50798 -0.57473 1.45126 0.40546 0.16842 7 3PX -0.19887 0.11389 1.39320 -0.03591 0.57338 8 3PY -0.79554 0.33167 1.95007 -0.34725 0.59512 9 3PZ 0.26944 -0.12442 -1.49212 0.25325 -1.43808 10 4XX 0.01686 0.01190 -0.01002 -0.03514 0.01871 11 4YY -0.04399 0.00418 0.06332 0.01869 0.03642 12 4ZZ 0.02807 -0.01550 -0.01937 0.01814 -0.00622 13 4XY -0.00167 0.00057 0.00841 -0.02051 -0.01836 14 4XZ -0.02264 0.01510 0.00488 0.01951 0.03006 15 4YZ -0.00641 0.00052 -0.00570 -0.00662 0.04854 16 2 C 1S -0.01294 0.01209 0.00769 0.00055 -0.02484 17 2S 0.06639 -0.00524 0.06928 0.09011 0.23062 18 2PX 0.13261 0.14489 0.25024 0.02708 -0.02277 19 2PY 0.00030 -0.17047 0.24133 0.04590 -0.23536 20 2PZ -0.00492 -0.02354 -0.16205 0.01898 0.12377 21 3S -0.32130 -0.20929 -1.44504 -0.05954 -0.78221 22 3PX -0.48956 -0.32260 -1.39708 0.19668 0.30426 23 3PY 0.28789 0.27750 -1.22474 0.00011 0.25892 24 3PZ 0.74771 0.39045 0.48625 -0.33020 -0.36023 25 4XX -0.03972 0.01098 0.01075 0.01117 0.05055 26 4YY 0.04020 0.01004 0.00026 -0.00271 -0.08246 27 4ZZ -0.01087 -0.00429 -0.03241 0.00409 0.03978 28 4XY -0.00202 0.00957 0.03197 -0.01351 -0.00920 29 4XZ 0.03136 0.00029 0.00022 -0.00558 -0.00510 30 4YZ 0.00530 0.00710 0.00127 0.00983 -0.04977 31 3 C 1S 0.01294 0.01207 -0.00770 0.00056 0.02483 32 2S -0.06629 -0.00521 -0.06926 0.09014 -0.23058 33 2PX -0.13259 0.14443 -0.25040 0.02724 0.02280 34 2PY 0.00019 0.17091 0.24106 -0.04599 -0.23514 35 2PZ 0.00505 -0.02339 0.16217 0.01883 -0.12390 36 3S 0.32092 -0.20741 1.44505 -0.06009 0.78233 37 3PX 0.48956 -0.32055 1.39787 0.19577 -0.30431 38 3PY 0.28835 -0.27931 -1.22385 0.00030 0.25818 39 3PZ -0.74816 0.38974 -0.48726 -0.32978 0.36064 40 4XX 0.03973 0.01100 -0.01076 0.01116 -0.05055 41 4YY -0.04020 0.00999 -0.00027 -0.00268 0.08247 42 4ZZ 0.01086 -0.00422 0.03243 0.00407 -0.03978 43 4XY -0.00199 -0.00954 0.03197 0.01350 -0.00923 44 4XZ -0.03137 0.00025 -0.00020 -0.00557 0.00510 45 4YZ 0.00529 -0.00709 0.00127 -0.00986 -0.04974 46 4 C 1S 0.01251 -0.01444 0.01504 0.00238 0.02009 47 2S -0.25398 0.11421 0.04151 0.05268 -0.19901 48 2PX -0.03029 -0.02782 0.33336 0.01755 0.18899 49 2PY 0.35204 0.15160 -0.43443 -0.10269 -0.09676 50 2PZ -0.04055 0.08870 -0.27569 -0.19409 -0.45526 51 3S 1.50860 -0.57563 -1.45032 0.40584 -0.16886 52 3PX 0.19911 0.11241 -1.39370 -0.03553 -0.57365 53 3PY -0.79517 -0.33021 1.94992 0.34659 0.59467 54 3PZ -0.26971 -0.12274 1.49260 0.25335 1.43846 55 4XX -0.01687 0.01190 0.01001 -0.03515 -0.01869 56 4YY 0.04398 0.00415 -0.06332 0.01872 -0.03643 57 4ZZ -0.02805 -0.01551 0.01938 0.01813 0.00623 58 4XY -0.00169 -0.00057 0.00844 0.02048 -0.01835 59 4XZ 0.02264 0.01511 -0.00489 0.01951 -0.03007 60 4YZ -0.00640 -0.00053 -0.00574 0.00664 0.04854 61 5 H 1S -0.00727 -0.08584 -0.17978 0.01265 -0.32303 62 2S -0.22427 0.33278 1.42266 -0.27007 1.28240 63 6 H 1S 0.00732 -0.08568 0.17981 0.01268 0.32302 64 2S 0.22414 0.33137 -1.42296 -0.26992 -1.28250 65 7 C 1S 0.01140 0.01837 0.01122 -0.00753 -0.00192 66 2S -0.20709 -0.10862 -0.01799 -0.17890 -0.03703 67 2PX 0.03435 -0.28126 0.01636 0.14926 0.06441 68 2PY 0.07554 0.17947 0.09782 -0.06875 -0.29333 69 2PZ 0.43100 0.18591 0.20966 -0.07153 -0.13771 70 3S -0.14327 0.27492 -0.02934 0.21883 0.57111 71 3PX 0.25686 0.43949 0.06888 -0.38597 -0.27766 72 3PY -0.86424 -0.36927 -0.06481 0.12920 0.85351 73 3PZ -1.63454 -0.45147 -0.72016 0.26030 0.42911 74 4XX -0.00628 -0.00606 -0.03308 0.03817 0.01770 75 4YY -0.02542 0.00690 -0.00860 -0.02732 0.03879 76 4ZZ -0.02270 -0.01040 0.03377 -0.01443 -0.03353 77 4XY -0.00161 -0.00519 -0.01220 -0.00298 0.01096 78 4XZ 0.01041 -0.01899 -0.00457 0.00251 0.01684 79 4YZ 0.00334 0.01477 0.00902 0.03390 -0.01819 80 8 C 1S -0.01141 0.01834 -0.01125 -0.00752 0.00193 81 2S 0.20704 -0.10831 0.01787 -0.17887 0.03731 82 2PX -0.03413 -0.28132 -0.01596 0.14922 -0.06446 83 2PY 0.07575 -0.17947 0.09807 0.06859 -0.29334 84 2PZ -0.43118 0.18536 -0.20986 -0.07131 0.13756 85 3S 0.14325 0.27439 0.02950 0.21832 -0.57155 86 3PX -0.25719 0.43943 -0.06956 -0.38572 0.27777 87 3PY -0.86488 0.36921 -0.06528 -0.12875 0.85356 88 3PZ 1.63472 -0.44947 0.72075 0.25950 -0.42876 89 4XX 0.00628 -0.00602 0.03310 0.03815 -0.01770 90 4YY 0.02540 0.00692 0.00857 -0.02732 -0.03875 91 4ZZ 0.02272 -0.01041 -0.03378 -0.01441 0.03353 92 4XY -0.00160 0.00518 -0.01219 0.00300 0.01091 93 4XZ -0.01041 -0.01901 0.00461 0.00250 -0.01683 94 4YZ 0.00333 -0.01476 0.00902 -0.03392 -0.01818 95 9 H 1S -0.00290 -0.01712 -0.15607 0.01234 0.27997 96 2S -0.03431 0.18532 0.62718 0.04667 -0.68901 97 10 H 1S 0.00290 -0.01681 0.15604 0.01220 -0.28006 98 2S 0.03426 0.18424 -0.62740 0.04693 0.68940 99 11 C 1S -0.00708 -0.00207 -0.00894 0.01127 -0.00078 100 2S 0.15879 -0.23668 0.11043 0.18752 -0.05343 101 2PX -0.38895 0.16812 -0.00338 0.39024 -0.18621 102 2PY 0.22261 -0.09797 0.18026 0.04247 -0.14431 103 2PZ -0.24042 0.31128 0.15289 0.28264 -0.18844 104 3S -0.14458 0.88500 -0.87386 -0.76136 0.07351 105 3PX 1.39316 -0.18110 0.25589 -0.62056 0.42780 106 3PY -1.09166 0.43697 -0.93045 -0.32885 0.51493 107 3PZ 0.41636 -0.45779 -1.14951 -0.36728 0.85215 108 4XX -0.01275 -0.06157 0.03294 -0.02707 0.00382 109 4YY 0.02647 -0.00716 0.02132 0.00218 -0.01358 110 4ZZ 0.00692 0.03948 -0.06737 0.05607 0.00072 111 4XY 0.00453 -0.04190 0.00447 -0.07055 0.01466 112 4XZ -0.00589 -0.02804 0.04340 0.02890 -0.00050 113 4YZ 0.00810 -0.08287 0.00616 -0.03931 -0.00628 114 12 H 1S -0.09514 0.28507 -0.15612 0.37599 0.01485 115 2S 0.65402 -0.85469 -0.07240 -0.43462 0.42653 116 13 H 1S -0.05962 -0.34762 0.12464 -0.17121 0.06942 117 2S -0.48239 0.33466 0.10780 0.85444 -0.56182 118 14 C 1S 0.00708 -0.00206 0.00895 0.01126 0.00078 119 2S -0.15869 -0.23696 -0.11017 0.18760 0.05350 120 2PX 0.38877 0.16836 0.00329 0.39034 0.18617 121 2PY 0.22260 0.09832 0.18014 -0.04257 -0.14428 122 2PZ 0.24026 0.31135 -0.15307 0.28286 0.18830 123 3S 0.14414 0.88625 0.87264 -0.76174 -0.07360 124 3PX -1.39275 -0.18224 -0.25572 -0.62076 -0.42773 125 3PY -1.09170 -0.43857 -0.93001 0.32953 0.51484 126 3PZ -0.41628 -0.45685 1.14967 -0.36838 -0.85197 127 4XX 0.01278 -0.06163 -0.03287 -0.02708 -0.00382 128 4YY -0.02647 -0.00722 -0.02133 0.00221 0.01361 129 4ZZ -0.00695 0.03959 0.06735 0.05605 -0.00074 130 4XY 0.00450 0.04189 0.00445 0.07053 0.01465 131 4XZ 0.00590 -0.02810 -0.04335 0.02892 0.00050 132 4YZ 0.00803 0.08288 0.00605 0.03931 -0.00628 133 15 H 1S 0.09489 0.28539 0.15598 0.37590 -0.01490 134 2S -0.65344 -0.85515 0.07311 -0.43494 -0.42638 135 16 H 1S 0.05987 -0.34775 -0.12424 -0.17118 -0.06944 136 2S 0.48214 0.33496 -0.10791 0.85479 0.56172 137 17 H 1S -0.01643 0.09781 -0.22837 0.00680 0.23058 138 2S 1.13695 -0.48456 0.52217 0.13441 -0.63594 139 18 H 1S 0.01648 0.09802 0.22823 0.00658 -0.23067 140 2S -1.13677 -0.48584 -0.52170 0.13505 0.63627 141 19 O 1S -0.00563 -0.00134 -0.00255 0.00110 -0.00061 142 2S -0.05965 -0.08353 0.03946 0.04949 0.06787 143 2PX 0.03270 0.06114 -0.02016 -0.04895 0.04438 144 2PY 0.00377 0.03335 -0.04188 -0.02098 -0.01546 145 2PZ 0.10964 0.02583 -0.01477 0.00312 0.06112 146 3S 0.44825 0.32590 0.10637 -0.32800 -0.21284 147 3PX 0.13632 -0.03406 0.13980 -0.02745 -0.06200 148 3PY 0.10135 0.06215 0.04507 -0.04707 -0.03200 149 3PZ -0.04456 -0.06622 0.00020 -0.00481 -0.05704 150 4XX -0.01362 0.00668 0.03785 -0.04701 0.01165 151 4YY -0.01387 -0.03624 0.01542 0.05668 -0.00091 152 4ZZ -0.01919 -0.04026 -0.01268 0.02837 0.03899 153 4XY 0.01598 -0.01919 0.01331 0.03676 -0.01762 154 4XZ -0.00865 -0.01952 0.00044 0.02891 -0.01099 155 4YZ 0.00542 -0.02710 -0.01175 0.00726 0.01496 156 20 O 1S 0.00563 -0.00134 0.00254 0.00110 0.00061 157 2S 0.05968 -0.08356 -0.03926 0.04951 -0.06785 158 2PX -0.03273 0.06111 0.02002 -0.04896 -0.04429 159 2PY 0.00383 -0.03343 -0.04176 0.02100 -0.01547 160 2PZ -0.10972 0.02573 0.01480 0.00311 -0.06109 161 3S -0.44844 0.32558 -0.10696 -0.32783 0.21286 162 3PX -0.13629 -0.03431 -0.13972 -0.02729 0.06189 163 3PY 0.10139 -0.06203 0.04501 0.04702 -0.03201 164 3PZ 0.04470 -0.06618 -0.00016 -0.00481 0.05704 165 4XX 0.01359 0.00664 -0.03788 -0.04699 -0.01161 166 4YY 0.01389 -0.03625 -0.01530 0.05669 0.00087 167 4ZZ 0.01921 -0.04025 0.01276 0.02836 -0.03896 168 4XY 0.01595 0.01921 0.01326 -0.03680 -0.01759 169 4XZ 0.00867 -0.01951 -0.00040 0.02890 0.01096 170 4YZ 0.00539 0.02710 -0.01179 -0.00724 0.01495 171 21 C 1S 0.00001 -0.02389 0.00003 0.02833 -0.00001 172 2S -0.00014 0.31697 -0.00033 -0.59471 0.00023 173 2PX 0.00008 -0.19428 0.00019 0.21555 -0.00006 174 2PY -0.00078 0.00001 -0.00219 0.00001 0.00929 175 2PZ 0.00016 -0.19949 0.00008 -0.11638 0.00011 176 3S 0.00027 -0.61678 0.00063 1.22626 -0.00051 177 3PX -0.00027 0.53287 -0.00054 -0.50048 0.00016 178 3PY -0.00696 -0.00008 -0.09535 0.00002 -0.00535 179 3PZ -0.00027 0.29201 -0.00002 0.49258 -0.00029 180 4XX 0.00004 -0.06521 0.00006 0.07534 -0.00002 181 4YY -0.00003 0.06292 -0.00008 -0.11127 0.00004 182 4ZZ -0.00002 0.01436 0.00000 -0.00164 -0.00001 183 4XY -0.00331 0.00001 0.01039 0.00000 -0.00181 184 4XZ 0.00003 -0.04604 0.00003 0.02633 0.00001 185 4YZ -0.00987 0.00000 0.00671 -0.00001 -0.00534 186 22 H 1S -0.00009 -0.00163 0.00009 0.18049 -0.00011 187 2S 0.00017 -0.02523 -0.00023 -0.75964 0.00041 188 23 H 1S 0.00017 -0.40935 0.00039 0.47380 -0.00012 189 2S -0.00050 0.92066 -0.00078 -0.79013 0.00018 96 97 98 99 100 V V V V V Eigenvalues -- 0.88232 0.88805 0.89108 0.89726 0.90402 1 1 C 1S -0.02135 -0.00680 -0.00466 0.00554 -0.00764 2 2S 0.01114 0.10174 0.14370 -0.01999 0.32317 3 2PX -0.21910 -0.07779 0.06379 -0.00428 -0.19864 4 2PY -0.12677 0.24804 -0.09337 -0.08489 -0.20409 5 2PZ 0.26869 0.38520 -0.18924 -0.05543 0.36298 6 3S 0.25164 0.06285 -1.07410 -0.75951 -0.90311 7 3PX 0.39108 0.32418 -0.35926 0.05411 0.50376 8 3PY 0.19432 -1.47850 0.48868 0.66770 0.63563 9 3PZ -0.87717 -2.04293 1.23669 0.10126 -0.87947 10 4XX 0.02896 0.02089 0.01250 -0.00050 0.02033 11 4YY -0.01103 -0.02739 0.01768 -0.03659 0.00911 12 4ZZ -0.02051 0.03481 -0.04458 0.02687 0.02660 13 4XY -0.03164 -0.00482 0.00549 0.06956 -0.01820 14 4XZ -0.00053 -0.02679 0.00992 -0.03460 0.04269 15 4YZ 0.07047 0.02092 0.00342 -0.04749 0.04591 16 2 C 1S 0.00054 -0.01291 -0.01885 0.01044 0.01557 17 2S -0.13905 -0.06864 0.36479 -0.13182 -0.01538 18 2PX -0.02555 -0.20297 -0.00432 0.01522 -0.00090 19 2PY 0.21477 0.08391 -0.56264 0.10812 0.24417 20 2PZ 0.08238 0.18594 -0.22057 -0.06084 -0.01844 21 3S -0.18043 -0.84694 -0.34195 0.35993 -0.09790 22 3PX 0.09560 0.71816 -0.49846 -0.46899 -0.15715 23 3PY -0.76145 -0.45399 1.66317 -0.42247 -0.79076 24 3PZ -0.45362 -1.62332 1.11082 0.85384 0.22270 25 4XX -0.01883 -0.01325 0.02544 0.01858 -0.00325 26 4YY 0.00702 -0.00987 -0.06499 0.00383 0.03558 27 4ZZ -0.03108 -0.01745 0.08000 -0.03198 -0.03979 28 4XY 0.02632 0.00759 -0.02749 0.00939 0.00296 29 4XZ 0.02745 0.03113 -0.00586 -0.02195 -0.03278 30 4YZ -0.01744 -0.05797 0.04533 0.03361 -0.01632 31 3 C 1S 0.00058 0.01292 0.01885 0.01044 0.01558 32 2S -0.13945 0.06866 -0.36458 -0.13192 -0.01560 33 2PX -0.02531 0.20297 0.00455 0.01513 -0.00089 34 2PY -0.21550 0.08412 -0.56222 -0.10826 -0.24434 35 2PZ 0.08240 -0.18599 0.22042 -0.06072 -0.01834 36 3S -0.17979 0.84710 0.34188 0.35976 -0.09754 37 3PX 0.09504 -0.71818 0.49802 -0.46855 -0.15679 38 3PY 0.76351 -0.45469 1.66227 0.42278 0.79126 39 3PZ -0.45341 1.62382 -1.11020 0.85295 0.22194 40 4XX -0.01886 0.01328 -0.02539 0.01857 -0.00324 41 4YY 0.00712 0.00989 0.06493 0.00385 0.03558 42 4ZZ -0.03118 0.01743 -0.07993 -0.03202 -0.03982 43 4XY -0.02637 0.00761 -0.02749 -0.00940 -0.00297 44 4XZ 0.02744 -0.03114 0.00583 -0.02193 -0.03278 45 4YZ 0.01745 -0.05801 0.04534 -0.03359 0.01635 46 4 C 1S -0.02134 0.00682 0.00468 0.00554 -0.00763 47 2S 0.01081 -0.10178 -0.14384 -0.02006 0.32303 48 2PX -0.21917 0.07787 -0.06347 -0.00428 -0.19867 49 2PY 0.12674 0.24813 -0.09360 0.08470 0.20392 50 2PZ 0.26858 -0.38530 0.18882 -0.05536 0.36308 51 3S 0.25312 -0.06325 1.07424 -0.75905 -0.90239 52 3PX 0.39142 -0.32406 0.35857 0.05426 0.50393 53 3PY -0.19455 -1.47922 0.48948 -0.66678 -0.63488 54 3PZ -0.87716 2.04308 -1.23540 0.10038 -0.88015 55 4XX 0.02891 -0.02089 -0.01253 -0.00048 0.02032 56 4YY -0.01100 0.02737 -0.01767 -0.03666 0.00913 57 4ZZ -0.02051 -0.03478 0.04459 0.02692 0.02659 58 4XY 0.03164 -0.00489 0.00545 -0.06954 0.01820 59 4XZ -0.00052 0.02677 -0.00992 -0.03465 0.04271 60 4YZ -0.07043 0.02100 0.00348 0.04746 -0.04591 61 5 H 1S -0.26151 -0.04346 0.03316 0.31310 -0.18747 62 2S 0.83037 0.58294 -0.28939 -0.08074 1.15479 63 6 H 1S -0.26142 0.04373 -0.03286 0.31320 -0.18748 64 2S 0.83013 -0.58341 0.28816 -0.08085 1.15479 65 7 C 1S -0.00489 -0.00326 0.00751 0.00911 -0.00625 66 2S -0.39770 -0.14914 0.03118 -0.21423 0.36050 67 2PX 0.15078 0.05265 -0.00046 -0.14326 0.00947 68 2PY 0.14612 0.11962 0.09799 0.13273 -0.16697 69 2PZ 0.23061 0.23746 0.21019 0.18799 -0.25259 70 3S 0.96433 0.20220 -0.52392 0.49921 -0.83161 71 3PX -0.19086 0.11953 0.26767 0.34793 -0.10279 72 3PY -0.39906 -0.54066 -0.67933 -0.25370 0.45258 73 3PZ -0.43062 -0.83600 -0.78712 -0.44424 0.58978 74 4XX -0.03895 -0.01943 -0.02123 -0.02172 0.02827 75 4YY -0.01890 -0.02140 -0.02187 -0.01304 0.01992 76 4ZZ -0.00332 -0.00287 0.02033 0.01892 0.00552 77 4XY -0.02730 -0.00249 -0.00117 -0.04093 0.04943 78 4XZ 0.00387 0.00817 -0.00978 -0.05603 0.00384 79 4YZ 0.05371 0.00733 0.01583 0.01928 -0.05180 80 8 C 1S -0.00490 0.00326 -0.00750 0.00910 -0.00625 81 2S -0.39769 0.14926 -0.03096 -0.21432 0.36040 82 2PX 0.15074 -0.05282 0.00027 -0.14326 0.00948 83 2PY -0.14610 0.11969 0.09808 -0.13293 0.16706 84 2PZ 0.23031 -0.23751 -0.21035 0.18808 -0.25260 85 3S 0.96479 -0.20247 0.52328 0.49946 -0.83113 86 3PX -0.19120 -0.11928 -0.26747 0.34791 -0.10308 87 3PY 0.39831 -0.54089 -0.67968 0.25418 -0.45298 88 3PZ -0.42954 0.83599 0.78723 -0.44438 0.59008 89 4XX -0.03893 0.01944 0.02127 -0.02173 0.02828 90 4YY -0.01885 0.02141 0.02188 -0.01306 0.01990 91 4ZZ -0.00335 0.00288 -0.02035 0.01893 0.00553 92 4XY 0.02730 -0.00250 -0.00119 0.04095 -0.04943 93 4XZ 0.00387 -0.00820 0.00979 -0.05604 0.00384 94 4YZ -0.05370 0.00735 0.01588 -0.01929 0.05180 95 9 H 1S 0.12074 0.00804 0.34291 0.05377 0.27983 96 2S -0.58017 0.18613 -1.46251 -0.38762 -0.70964 97 10 H 1S 0.12022 -0.00813 -0.34323 0.05377 0.27976 98 2S -0.57829 -0.18596 1.46361 -0.38721 -0.70916 99 11 C 1S 0.00606 -0.00292 -0.00259 -0.02600 -0.00466 100 2S -0.41321 0.17294 -0.01445 -0.02928 0.19119 101 2PX -0.10032 0.44451 0.05110 -0.05773 0.11026 102 2PY -0.10049 -0.11288 0.07024 0.01966 0.00376 103 2PZ 0.13690 0.23744 0.33657 -0.04371 0.11735 104 3S 0.72200 -0.21480 0.28227 0.75942 0.05609 105 3PX 0.09276 -1.51583 0.07548 -0.08280 -0.37020 106 3PY 0.05475 0.90320 -0.73494 0.30438 0.07299 107 3PZ -0.25165 -0.42182 -1.16539 0.19537 -0.21954 108 4XX 0.01073 -0.03549 -0.01362 -0.03490 -0.01977 109 4YY -0.07125 0.00137 0.00117 0.03682 0.03704 110 4ZZ -0.00707 0.05814 0.01591 -0.01897 0.02127 111 4XY 0.07031 -0.02944 0.02385 0.00857 0.00994 112 4XZ 0.00607 -0.02386 -0.02676 -0.03472 -0.04778 113 4YZ -0.00880 0.00301 -0.03641 0.05582 0.01272 114 12 H 1S 0.02979 0.17694 0.02072 -0.32012 -0.10530 115 2S -0.29225 -0.72302 -0.69430 0.23343 -0.16401 116 13 H 1S 0.29708 -0.27496 -0.11349 -0.21168 -0.12972 117 2S -0.46987 1.08768 0.31852 -0.02456 0.39454 118 14 C 1S 0.00606 0.00290 0.00259 -0.02600 -0.00465 119 2S -0.41322 -0.17269 0.01483 -0.02919 0.19116 120 2PX -0.10064 -0.44438 -0.05085 -0.05752 0.11023 121 2PY 0.10033 -0.11308 0.07013 -0.01962 -0.00366 122 2PZ 0.13649 -0.23758 -0.33664 -0.04368 0.11719 123 3S 0.72153 0.21457 -0.28316 0.75925 0.05617 124 3PX 0.09372 1.51538 -0.07557 -0.08347 -0.37038 125 3PY -0.05442 0.90354 -0.73501 -0.30512 -0.07384 126 3PZ -0.25076 0.42226 1.16541 0.19532 -0.21894 127 4XX 0.01080 0.03548 0.01358 -0.03490 -0.01974 128 4YY -0.07127 -0.00133 -0.00108 0.03683 0.03703 129 4ZZ -0.00713 -0.05814 -0.01590 -0.01897 0.02124 130 4XY -0.07028 -0.02939 0.02396 -0.00857 -0.00994 131 4XZ 0.00610 0.02384 0.02678 -0.03471 -0.04778 132 4YZ 0.00874 0.00299 -0.03638 -0.05582 -0.01274 133 15 H 1S 0.02960 -0.17711 -0.02062 -0.32004 -0.10536 134 2S -0.29124 0.72328 0.69439 0.23315 -0.16371 135 16 H 1S 0.29735 0.27467 0.11307 -0.21178 -0.12963 136 2S -0.47067 -1.08730 -0.31778 -0.02412 0.39430 137 17 H 1S 0.14581 -0.06543 -0.15919 0.16371 -0.22156 138 2S -0.76204 0.78371 0.70003 -0.68064 0.92332 139 18 H 1S 0.14591 0.06541 0.15907 0.16353 -0.22157 140 2S -0.76290 -0.78354 -0.69952 -0.68014 0.92308 141 19 O 1S -0.00654 -0.00312 -0.00205 -0.00257 0.00884 142 2S 0.06954 0.01690 0.01110 -0.22847 -0.02624 143 2PX -0.09039 0.06259 0.00438 -0.03047 0.07714 144 2PY -0.07758 -0.04279 -0.00117 0.20600 0.15545 145 2PZ -0.05068 0.08822 0.01985 -0.09998 0.08497 146 3S -0.08906 0.10439 0.19058 0.28773 -0.15897 147 3PX 0.06678 -0.00270 0.08754 0.16554 -0.13361 148 3PY 0.21567 0.11027 0.05418 -0.26982 -0.34772 149 3PZ 0.04556 -0.05059 -0.02656 0.06646 -0.12721 150 4XX -0.00989 0.00648 0.01087 -0.07684 -0.00313 151 4YY 0.06133 0.00883 0.01545 -0.06123 -0.03347 152 4ZZ 0.00614 0.00325 -0.01259 -0.09615 0.00736 153 4XY 0.01310 0.01409 0.02008 0.03746 -0.00435 154 4XZ 0.02069 0.00265 -0.01089 0.01819 -0.00750 155 4YZ 0.00500 0.00704 -0.00350 -0.03303 0.01018 156 20 O 1S -0.00653 0.00313 0.00205 -0.00256 0.00884 157 2S 0.06951 -0.01702 -0.01112 -0.22849 -0.02621 158 2PX -0.09044 -0.06258 -0.00432 -0.03044 0.07714 159 2PY 0.07757 -0.04291 -0.00115 -0.20597 -0.15540 160 2PZ -0.05074 -0.08821 -0.01978 -0.10004 0.08488 161 3S -0.08931 -0.10423 -0.19048 0.28773 -0.15918 162 3PX 0.06673 0.00272 -0.08758 0.16545 -0.13372 163 3PY -0.21557 0.11047 0.05420 0.26977 0.34768 164 3PZ 0.04560 0.05058 0.02651 0.06659 -0.12701 165 4XX -0.00990 -0.00650 -0.01085 -0.07684 -0.00313 166 4YY 0.06131 -0.00888 -0.01548 -0.06125 -0.03346 167 4ZZ 0.00615 -0.00328 0.01260 -0.09615 0.00738 168 4XY -0.01308 0.01408 0.02010 -0.03747 0.00436 169 4XZ 0.02071 -0.00265 0.01087 0.01820 -0.00749 170 4YZ -0.00499 0.00705 -0.00351 0.03304 -0.01020 171 21 C 1S 0.01458 0.00000 -0.00001 -0.00425 0.01177 172 2S -0.12130 -0.00010 0.00012 -0.79098 -0.10164 173 2PX 0.00981 0.00006 -0.00003 0.27495 0.06511 174 2PY 0.00003 0.00342 0.00625 0.00002 0.00000 175 2PZ -0.20265 0.00003 0.00009 -0.15267 -0.02863 176 3S 0.15160 0.00031 -0.00026 2.08147 0.36053 177 3PX -0.20516 -0.00001 0.00008 -0.22262 0.15412 178 3PY -0.00009 0.00902 -0.06147 -0.00005 -0.00003 179 3PZ 0.74338 -0.00019 -0.00032 0.09564 -0.05913 180 4XX 0.05563 -0.00002 -0.00002 -0.02245 -0.01681 181 4YY -0.05517 0.00001 0.00003 -0.03571 0.01915 182 4ZZ -0.00944 0.00000 0.00000 0.00222 0.02531 183 4XY 0.00001 0.01254 0.00059 -0.00001 -0.00001 184 4XZ -0.00024 0.00000 0.00000 -0.01683 0.01495 185 4YZ -0.00001 -0.00489 -0.00418 0.00000 0.00001 186 22 H 1S 0.02087 0.00006 -0.00003 0.23787 0.18564 187 2S -0.53298 0.00000 0.00029 -0.80021 -0.16566 188 23 H 1S 0.20661 -0.00001 -0.00011 0.16742 0.05300 189 2S -0.04367 -0.00014 0.00008 -0.66451 -0.06472 101 102 103 104 105 V V V V V Eigenvalues -- 0.91949 0.95056 0.96227 0.97337 0.98560 1 1 C 1S -0.00330 -0.00178 0.00183 0.00022 -0.01005 2 2S 0.29409 -0.23101 0.13968 -0.41399 -0.47081 3 2PX 0.03954 0.13849 0.05345 -0.02776 -0.07733 4 2PY -0.10517 0.12460 0.19167 0.22529 -0.08723 5 2PZ 0.09015 -0.16168 0.06441 0.03424 -0.06206 6 3S -0.45313 0.64559 -0.56167 1.29561 2.00059 7 3PX -0.12670 -0.22383 0.10725 0.43742 -0.07661 8 3PY -0.06249 -0.26458 -1.00042 -1.98236 0.70020 9 3PZ -0.00022 0.25027 -0.60284 -1.16895 0.52177 10 4XX 0.02941 -0.00714 0.00573 -0.01882 -0.03156 11 4YY 0.04952 -0.02603 -0.02120 -0.03617 0.00082 12 4ZZ -0.03563 0.00570 0.02246 0.00814 -0.03675 13 4XY -0.03044 -0.01272 0.01631 0.00658 -0.02417 14 4XZ 0.00678 -0.00223 -0.02805 -0.02086 0.02832 15 4YZ 0.04626 -0.02891 -0.00582 0.00980 0.03073 16 2 C 1S -0.00459 -0.00595 0.00522 -0.00838 -0.01181 17 2S 0.31144 -0.30308 0.01760 0.16819 -0.14206 18 2PX -0.04561 -0.04967 0.03405 0.02384 -0.00372 19 2PY -0.38757 0.27605 0.01892 -0.18979 0.04391 20 2PZ -0.07834 -0.00671 0.04945 0.27817 0.21108 21 3S -0.66522 0.84219 -0.48349 -1.70581 0.72620 22 3PX 0.17120 0.21584 -0.16185 0.24320 0.21446 23 3PY 0.80648 -0.34698 -0.13490 0.27460 -0.19038 24 3PZ -0.05395 -0.19680 -0.54715 -2.11689 -0.57521 25 4XX -0.00386 -0.03732 0.01879 0.07710 0.00589 26 4YY -0.02878 0.02240 0.00614 -0.01799 -0.05909 27 4ZZ 0.08430 -0.03672 -0.02272 -0.07328 0.02613 28 4XY -0.01545 0.00401 0.05137 0.04806 -0.02969 29 4XZ 0.01147 0.02587 -0.02626 0.02440 -0.00075 30 4YZ -0.01145 -0.00127 0.01510 0.02650 -0.02532 31 3 C 1S -0.00458 -0.00594 -0.00522 0.00838 0.01181 32 2S 0.31140 -0.30327 -0.01783 -0.16831 0.14202 33 2PX -0.04569 -0.04959 -0.03406 -0.02381 0.00372 34 2PY 0.38756 -0.27618 0.01868 -0.18987 0.04390 35 2PZ -0.07838 -0.00678 -0.04946 -0.27822 -0.21108 36 3S -0.66499 0.84286 0.48410 1.70612 -0.72616 37 3PX 0.17121 0.21579 0.16204 -0.24322 -0.21440 38 3PY -0.80640 0.34748 -0.13452 0.27455 -0.19066 39 3PZ -0.05349 -0.19681 0.54712 2.11723 0.57521 40 4XX -0.00388 -0.03730 -0.01882 -0.07710 -0.00590 41 4YY -0.02877 0.02239 -0.00611 0.01799 0.05911 42 4ZZ 0.08432 -0.03673 0.02269 0.07328 -0.02614 43 4XY 0.01547 -0.00406 0.05135 0.04802 -0.02972 44 4XZ 0.01147 0.02584 0.02628 -0.02439 0.00075 45 4YZ 0.01143 0.00129 0.01510 0.02648 -0.02528 46 4 C 1S -0.00330 -0.00178 -0.00184 -0.00021 0.01005 47 2S 0.29421 -0.23096 -0.13986 0.41402 0.47072 48 2PX 0.03951 0.13861 -0.05337 0.02765 0.07735 49 2PY 0.10529 -0.12460 0.19161 0.22535 -0.08727 50 2PZ 0.09020 -0.16172 -0.06450 -0.03415 0.06208 51 3S -0.45339 0.64550 0.56205 -1.29594 -2.00046 52 3PX -0.12668 -0.22401 -0.10719 -0.43686 0.07645 53 3PY 0.06169 0.26450 -1.00054 -1.98303 0.70046 54 3PZ -0.00019 0.25025 0.60275 1.16833 -0.52162 55 4XX 0.02941 -0.00714 -0.00574 0.01882 0.03157 56 4YY 0.04957 -0.02604 0.02118 0.03616 -0.00085 57 4ZZ -0.03566 0.00572 -0.02245 -0.00813 0.03675 58 4XY 0.03043 0.01271 0.01629 0.00656 -0.02413 59 4XZ 0.00681 -0.00224 0.02805 0.02086 -0.02833 60 4YZ -0.04623 0.02891 -0.00578 0.00983 0.03071 61 5 H 1S -0.28598 0.09414 0.12576 0.16354 -0.17213 62 2S 0.34950 -0.49395 -0.03159 -0.39378 -0.24631 63 6 H 1S -0.28602 0.09422 -0.12562 -0.16344 0.17207 64 2S 0.34984 -0.49400 0.03125 0.39398 0.24631 65 7 C 1S 0.00373 0.00230 0.00986 0.01328 -0.00073 66 2S 0.12459 0.24942 0.19024 -0.04709 -0.64286 67 2PX -0.09305 -0.15006 0.04020 0.05848 -0.02037 68 2PY -0.03900 -0.07766 0.07898 -0.05722 -0.05214 69 2PZ 0.04487 -0.06239 0.08619 0.00463 0.26754 70 3S -0.18168 -0.67246 -1.06335 0.19902 2.50825 71 3PX 0.15088 0.30262 0.07912 -0.63734 -0.40938 72 3PY 0.08810 0.29836 -0.66501 0.29463 0.62091 73 3PZ -0.02567 0.14359 -0.52795 0.19392 -0.72067 74 4XX 0.02841 0.00519 -0.00122 -0.01166 -0.00746 75 4YY -0.00142 0.00944 -0.00904 0.00977 0.00058 76 4ZZ 0.00310 0.00925 0.01371 0.01907 -0.02250 77 4XY 0.02313 -0.01127 -0.01149 -0.00043 0.00700 78 4XZ -0.02628 -0.01703 0.00278 0.01190 -0.01173 79 4YZ 0.01465 -0.07992 0.00313 0.00799 0.01046 80 8 C 1S 0.00373 0.00231 -0.00986 -0.01329 0.00074 81 2S 0.12447 0.24956 -0.19012 0.04705 0.64297 82 2PX -0.09305 -0.15005 -0.04031 -0.05839 0.02033 83 2PY 0.03906 0.07757 0.07906 -0.05721 -0.05213 84 2PZ 0.04488 -0.06241 -0.08626 -0.00469 -0.26749 85 3S -0.18113 -0.67339 1.06296 -0.19879 -2.50823 86 3PX 0.15103 0.30280 -0.07886 0.63724 0.40946 87 3PY -0.08836 -0.29783 -0.66532 0.29475 0.62086 88 3PZ -0.02572 0.14335 0.52797 -0.19370 0.72079 89 4XX 0.02841 0.00519 0.00123 0.01167 0.00744 90 4YY -0.00141 0.00939 0.00904 -0.00977 -0.00057 91 4ZZ 0.00308 0.00929 -0.01371 -0.01908 0.02252 92 4XY -0.02313 0.01128 -0.01148 -0.00044 0.00696 93 4XZ -0.02628 -0.01701 -0.00278 -0.01189 0.01173 94 4YZ -0.01465 0.07993 0.00319 0.00799 0.01045 95 9 H 1S -0.29940 0.18709 -0.04277 0.08068 0.08780 96 2S 0.93925 -0.59476 0.14526 -0.46023 -0.00359 97 10 H 1S -0.29946 0.18704 0.04292 -0.08063 -0.08765 98 2S 0.93932 -0.59430 -0.14584 0.45982 0.00346 99 11 C 1S 0.01139 0.00820 0.02506 -0.00752 0.00996 100 2S -0.21559 -0.39420 -0.70427 0.17473 -0.18462 101 2PX -0.15061 -0.30676 -0.20016 0.04005 -0.10952 102 2PY -0.00988 -0.19610 -0.21223 -0.01799 -0.17256 103 2PZ -0.17919 0.19504 0.25221 -0.08230 0.02691 104 3S 0.19501 0.80465 1.64235 0.02152 0.49437 105 3PX 0.39651 0.58468 0.11409 -0.74191 0.05439 106 3PY 0.03951 0.16849 0.43281 0.55850 0.90891 107 3PZ 0.22518 -0.32009 -0.75654 -0.12936 0.16140 108 4XX 0.03286 0.00020 0.02844 0.10918 -0.03227 109 4YY -0.04090 -0.07176 -0.04729 0.00714 -0.02118 110 4ZZ -0.01778 0.00944 -0.04871 -0.09482 0.03779 111 4XY -0.00978 0.00394 0.01983 0.01479 0.00560 112 4XZ 0.02099 0.03066 0.06514 -0.03665 -0.00146 113 4YZ -0.03206 -0.06576 -0.00838 0.02979 -0.01079 114 12 H 1S 0.10630 0.38334 0.32183 -0.45478 0.25600 115 2S 0.05707 -0.74629 -1.05358 0.37214 -0.51826 116 13 H 1S 0.15871 0.21060 0.54832 0.14267 0.07342 117 2S -0.47322 -0.66872 -0.93368 -0.00476 -0.35368 118 14 C 1S 0.01139 0.00822 -0.02506 0.00752 -0.00996 119 2S -0.21555 -0.39477 0.70399 -0.17455 0.18479 120 2PX -0.15057 -0.30695 0.19999 -0.03999 0.10960 121 2PY 0.00984 0.19617 -0.21199 -0.01804 -0.17252 122 2PZ -0.17918 0.19517 -0.25204 0.08236 -0.02695 123 3S 0.19477 0.80576 -1.64161 -0.02172 -0.49462 124 3PX 0.39656 0.58470 -0.11386 0.74155 -0.05464 125 3PY -0.03912 -0.16878 0.43250 0.55873 0.90887 126 3PZ 0.22521 -0.32016 0.75630 0.12938 -0.16129 127 4XX 0.03284 0.00021 -0.02845 -0.10920 0.03228 128 4YY -0.04090 -0.07182 0.04725 -0.00712 0.02121 129 4ZZ -0.01775 0.00944 0.04872 0.09484 -0.03779 130 4XY 0.00980 -0.00393 0.01982 0.01474 0.00560 131 4XZ 0.02099 0.03071 -0.06512 0.03662 0.00144 132 4YZ 0.03207 0.06576 -0.00836 0.02974 -0.01077 133 15 H 1S 0.10638 0.38364 -0.32155 0.45466 -0.25606 134 2S 0.05709 -0.74684 1.05292 -0.37207 0.51829 135 16 H 1S 0.15866 0.21105 -0.54818 -0.14272 -0.07348 136 2S -0.47306 -0.66943 0.93322 0.00500 0.35381 137 17 H 1S 0.01100 -0.15512 -0.05330 -0.17767 -0.18524 138 2S 0.05159 0.57693 0.43605 -0.10255 0.86949 139 18 H 1S 0.01108 -0.15508 0.05316 0.17761 0.18527 140 2S 0.05154 0.57701 -0.43556 0.10261 -0.86952 141 19 O 1S 0.00305 0.00300 -0.00211 0.00136 -0.00232 142 2S -0.08005 -0.08942 0.10180 0.19501 -0.21929 143 2PX 0.11504 0.02830 0.02001 -0.04353 -0.05853 144 2PY 0.15133 0.10392 -0.08888 -0.23630 0.06533 145 2PZ 0.04847 -0.02433 0.11117 -0.14185 -0.32048 146 3S 0.01608 0.16736 -0.02020 -0.54846 0.29802 147 3PX -0.06905 0.06681 0.10285 0.01609 -0.03498 148 3PY -0.27599 -0.22154 0.18424 0.29836 -0.15365 149 3PZ -0.05884 0.03338 -0.16010 0.23836 0.59694 150 4XX -0.03935 0.01358 0.04772 0.07279 -0.10710 151 4YY -0.02901 -0.06257 0.02844 0.02161 -0.07284 152 4ZZ -0.02122 -0.03378 0.02372 0.07956 -0.03746 153 4XY 0.02842 -0.00123 0.01337 -0.00088 -0.01077 154 4XZ -0.00960 -0.01253 -0.00891 0.01055 0.01984 155 4YZ -0.01981 -0.01954 -0.00567 -0.00001 0.00771 156 20 O 1S 0.00305 0.00299 0.00211 -0.00136 0.00232 157 2S -0.08008 -0.08935 -0.10187 -0.19498 0.21933 158 2PX 0.11506 0.02829 -0.01996 0.04352 0.05853 159 2PY -0.15139 -0.10381 -0.08890 -0.23631 0.06519 160 2PZ 0.04847 -0.02429 -0.11115 0.14184 0.32046 161 3S 0.01617 0.16740 0.02033 0.54831 -0.29813 162 3PX -0.06907 0.06690 -0.10287 -0.01617 0.03500 163 3PY 0.27606 0.22131 0.18431 0.29835 -0.15343 164 3PZ -0.05883 0.03328 0.16009 -0.23835 -0.59690 165 4XX -0.03936 0.01362 -0.04772 -0.07279 0.10713 166 4YY -0.02904 -0.06257 -0.02848 -0.02159 0.07283 167 4ZZ -0.02122 -0.03376 -0.02375 -0.07954 0.03748 168 4XY -0.02842 0.00123 0.01336 -0.00087 -0.01075 169 4XZ -0.00961 -0.01253 0.00891 -0.01055 -0.01986 170 4YZ 0.01981 0.01954 -0.00567 -0.00001 0.00772 171 21 C 1S -0.00176 -0.00921 0.00000 0.00000 0.00000 172 2S -0.63058 -0.22673 -0.00009 0.00001 -0.00001 173 2PX 0.31094 0.17996 0.00005 -0.00003 0.00006 174 2PY 0.00002 -0.00004 0.05365 0.07031 -0.11000 175 2PZ -0.09720 0.10638 0.00005 -0.00002 -0.00003 176 3S 1.69447 0.75651 0.00025 -0.00008 0.00009 177 3PX -0.24910 -0.10108 -0.00004 0.00002 -0.00001 178 3PY -0.00001 0.00014 -0.19193 -0.09749 0.42786 179 3PZ 0.02696 -0.62182 -0.00024 0.00012 0.00000 180 4XX -0.03713 -0.07260 -0.00002 0.00001 -0.00002 181 4YY -0.04324 0.02752 0.00001 0.00000 0.00002 182 4ZZ 0.02589 0.02303 0.00000 -0.00001 0.00000 183 4XY 0.00000 -0.00002 0.02466 0.05422 -0.03406 184 4XZ 0.00283 -0.00554 0.00000 0.00001 0.00001 185 4YZ -0.00001 0.00000 0.00081 -0.03209 -0.04366 186 22 H 1S 0.30395 0.15593 0.00005 -0.00001 0.00004 187 2S -0.72410 0.04723 0.00003 -0.00005 -0.00003 188 23 H 1S 0.18765 -0.03783 -0.00002 0.00002 0.00003 189 2S -0.64869 -0.38014 -0.00014 0.00005 -0.00005 106 107 108 109 110 V V V V V Eigenvalues -- 1.01134 1.05343 1.07614 1.12040 1.12968 1 1 C 1S -0.01225 -0.01782 -0.00086 -0.01792 -0.01862 2 2S -0.25333 -0.46999 -0.26304 -0.57020 -0.57897 3 2PX 0.10733 0.18205 0.03414 -0.01037 -0.01569 4 2PY -0.17237 0.19602 -0.00232 0.03419 -0.08307 5 2PZ -0.16650 0.01387 0.00170 0.08440 0.13573 6 3S 0.94725 1.63504 1.27373 2.13199 1.08346 7 3PX -0.47141 -0.43213 0.22198 0.13304 0.18731 8 3PY 1.85619 -1.08577 -0.14326 -0.46766 0.22619 9 3PZ 1.14271 0.23048 -0.57192 -0.76947 -0.74519 10 4XX 0.01239 0.01705 -0.00579 0.01731 0.06976 11 4YY 0.01804 -0.01085 -0.00340 -0.08729 -0.09309 12 4ZZ -0.06835 -0.06249 0.00054 0.00415 -0.03701 13 4XY -0.00527 -0.08430 -0.00267 0.00966 0.08916 14 4XZ 0.02144 0.00014 0.01906 0.01592 -0.02446 15 4YZ 0.00004 0.00551 0.00297 0.06787 0.03644 16 2 C 1S -0.00566 -0.00336 0.01649 0.00762 0.00633 17 2S -0.48276 -0.25496 0.05858 0.61566 0.39170 18 2PX 0.10997 0.03875 0.11547 -0.14487 -0.00049 19 2PY 0.04365 0.00363 -0.04982 -0.02586 -0.04873 20 2PZ -0.08667 0.12298 0.12824 0.13269 0.02115 21 3S 1.94349 0.18198 -0.89625 -2.10045 -1.58605 22 3PX -0.27107 0.33431 0.10013 0.46168 -0.15634 23 3PY -0.15712 0.67647 -0.28444 -0.41975 -0.55358 24 3PZ 1.00245 -0.89503 -0.71239 -1.01375 -0.01961 25 4XX 0.01339 -0.09734 0.04947 0.03106 0.08623 26 4YY -0.08138 0.08022 -0.01174 0.03448 -0.00407 27 4ZZ 0.02777 -0.01447 -0.01839 -0.01994 -0.03879 28 4XY -0.02209 0.03287 -0.01681 -0.00430 0.06997 29 4XZ 0.02107 0.03608 0.00034 -0.03611 -0.01505 30 4YZ -0.00761 -0.04067 -0.00558 0.01063 0.01085 31 3 C 1S 0.00565 -0.00338 -0.01649 0.00761 0.00634 32 2S 0.48251 -0.25517 -0.05872 0.61447 0.39226 33 2PX -0.10999 0.03866 -0.11552 -0.14471 -0.00062 34 2PY 0.04351 -0.00368 -0.04984 0.02619 0.04860 35 2PZ 0.08662 0.12289 -0.12840 0.13254 0.02118 36 3S -1.94259 0.18333 0.89751 -2.09862 -1.58674 37 3PX 0.27115 0.33440 -0.10028 0.46042 -0.15590 38 3PY -0.15685 -0.67650 -0.28434 0.41959 0.55333 39 3PZ -1.00247 -0.89445 0.71329 -1.01330 -0.01948 40 4XX -0.01341 -0.09737 -0.04940 0.03117 0.08619 41 4YY 0.08138 0.08017 0.01165 0.03436 -0.00402 42 4ZZ -0.02779 -0.01443 0.01841 -0.02004 -0.03874 43 4XY -0.02210 -0.03292 -0.01678 0.00425 -0.06991 44 4XZ -0.02107 0.03607 -0.00035 -0.03598 -0.01513 45 4YZ -0.00758 0.04071 -0.00562 -0.01072 -0.01080 46 4 C 1S 0.01225 -0.01783 0.00089 -0.01790 -0.01862 47 2S 0.25341 -0.47001 0.26371 -0.56950 -0.57903 48 2PX -0.10723 0.18208 -0.03429 -0.01037 -0.01572 49 2PY -0.17245 -0.19592 -0.00216 -0.03415 0.08301 50 2PZ 0.16642 0.01380 -0.00175 0.08435 0.13578 51 3S -0.94749 1.63482 -1.27596 2.12905 1.08352 52 3PX 0.47088 -0.43273 -0.22170 0.13382 0.18689 53 3PY 1.85658 1.08484 -0.14442 0.46767 -0.22550 54 3PZ -1.14208 0.23155 0.57211 -0.77055 -0.74461 55 4XX -0.01238 0.01703 0.00577 0.01740 0.06975 56 4YY -0.01803 -0.01082 0.00345 -0.08725 -0.09311 57 4ZZ 0.06835 -0.06253 -0.00048 0.00412 -0.03701 58 4XY -0.00524 0.08431 -0.00271 -0.00971 -0.08909 59 4XZ -0.02144 0.00016 -0.01906 0.01582 -0.02443 60 4YZ 0.00003 -0.00551 0.00300 -0.06779 -0.03650 61 5 H 1S -0.04811 -0.31559 0.05815 0.01417 0.12028 62 2S -0.16502 -0.57630 -0.00063 -0.07611 0.11669 63 6 H 1S 0.04806 -0.31572 -0.05793 0.01500 0.11992 64 2S 0.16494 -0.57637 0.00110 -0.07545 0.11646 65 7 C 1S -0.01205 0.01974 -0.00241 -0.01327 0.01070 66 2S -0.49443 0.16893 -0.42432 0.10522 0.37514 67 2PX -0.01273 -0.02776 -0.16502 0.02637 0.09714 68 2PY 0.02541 0.15416 -0.10223 -0.06209 0.04466 69 2PZ 0.01020 0.22997 -0.07965 0.09267 0.07947 70 3S 0.69387 0.09734 2.26566 -0.04130 -0.17679 71 3PX 0.42202 -0.08953 -0.12838 -0.24064 -0.05669 72 3PY -0.10780 -0.35073 1.61276 0.25602 -0.35213 73 3PZ -0.65460 -0.37838 1.17980 0.03218 -0.13733 74 4XX -0.05502 0.03035 -0.06581 -0.09513 0.00090 75 4YY -0.01491 0.03873 0.01309 0.00411 0.05309 76 4ZZ -0.04771 -0.03890 0.05622 0.06810 -0.02831 77 4XY -0.00481 0.04591 -0.03780 0.06905 0.03429 78 4XZ 0.09751 0.00819 -0.02848 -0.02210 -0.02326 79 4YZ -0.02184 0.01034 0.03334 0.02461 -0.07044 80 8 C 1S 0.01205 0.01974 0.00239 -0.01326 0.01069 81 2S 0.49451 0.16901 0.42414 0.10442 0.37548 82 2PX 0.01276 -0.02766 0.16506 0.02604 0.09732 83 2PY 0.02544 -0.15426 -0.10211 0.06263 -0.04492 84 2PZ -0.01017 0.23002 0.07949 0.09298 0.07939 85 3S -0.69385 0.09626 -2.26562 -0.03754 -0.17813 86 3PX -0.42211 -0.08954 0.12826 -0.23943 -0.05745 87 3PY -0.10793 0.35199 1.61268 -0.25859 0.35336 88 3PZ 0.65464 -0.37930 -1.17903 0.02989 -0.13634 89 4XX 0.05505 0.03039 0.06582 -0.09497 0.00086 90 4YY 0.01491 0.03872 -0.01316 0.00414 0.05306 91 4ZZ 0.04770 -0.03895 -0.05616 0.06794 -0.02823 92 4XY -0.00481 -0.04595 -0.03775 -0.06906 -0.03430 93 4XZ -0.09752 0.00822 0.02847 -0.02209 -0.02327 94 4YZ -0.02184 -0.01030 0.03336 -0.02450 0.07042 95 9 H 1S 0.12913 0.35147 0.02040 -0.06629 -0.18973 96 2S 0.19403 -0.08077 -0.07446 0.23499 0.12641 97 10 H 1S -0.12902 0.35147 -0.02063 -0.06615 -0.18984 98 2S -0.19432 -0.08072 0.07437 0.23498 0.12623 99 11 C 1S 0.00787 0.00179 0.00037 0.00445 -0.00754 100 2S 0.10851 0.30130 -0.00420 0.02639 -0.13511 101 2PX 0.05105 0.13017 -0.00568 0.11809 0.08263 102 2PY -0.00843 0.01767 -0.04177 0.05591 0.02276 103 2PZ -0.03562 -0.17463 -0.06260 0.13852 0.18883 104 3S -0.60061 -1.23049 -0.09697 -0.30696 0.71118 105 3PX -0.08917 0.17912 -0.07244 -0.32523 -0.46262 106 3PY 0.06845 -0.11234 0.38066 -0.27669 0.07547 107 3PZ 0.25812 0.08644 0.09188 -0.17398 -0.23273 108 4XX -0.01777 0.03251 0.00946 0.00134 -0.04847 109 4YY 0.00183 0.04882 -0.00451 -0.00922 -0.02344 110 4ZZ 0.03097 -0.04388 -0.01449 0.01691 0.05306 111 4XY -0.00476 0.02495 0.00663 -0.01105 0.03048 112 4XZ -0.00641 -0.06070 -0.00501 0.01926 -0.02582 113 4YZ -0.01708 -0.09324 -0.00047 0.03595 0.06469 114 12 H 1S 0.11754 -0.15203 -0.03942 0.04298 -0.02159 115 2S 0.05268 0.45543 0.05969 -0.12376 -0.38518 116 13 H 1S -0.00974 -0.14386 0.03362 0.06445 0.01698 117 2S 0.17951 0.22763 -0.11818 0.28373 0.22248 118 14 C 1S -0.00787 0.00179 -0.00037 0.00451 -0.00758 119 2S -0.10843 0.30128 0.00418 0.02711 -0.13556 120 2PX -0.05114 0.13016 0.00559 0.11850 0.08244 121 2PY -0.00841 -0.01761 -0.04177 -0.05593 -0.02277 122 2PZ 0.03556 -0.17456 0.06265 0.13857 0.18886 123 3S 0.60030 -1.23030 0.09726 -0.30957 0.71296 124 3PX 0.08934 0.17924 0.07230 -0.32743 -0.46152 125 3PY 0.06859 0.11251 0.38072 0.27674 -0.07535 126 3PZ -0.25805 0.08648 -0.09185 -0.17443 -0.23271 127 4XX 0.01777 0.03249 -0.00948 0.00154 -0.04855 128 4YY -0.00183 0.04879 0.00451 -0.00919 -0.02344 129 4ZZ -0.03097 -0.04381 0.01452 0.01681 0.05308 130 4XY -0.00477 -0.02494 0.00663 0.01108 -0.03049 131 4XZ 0.00642 -0.06073 0.00507 0.01925 -0.02581 132 4YZ -0.01707 0.09325 -0.00055 -0.03595 -0.06471 133 15 H 1S -0.11749 -0.15188 0.03950 0.04288 -0.02157 134 2S -0.05256 0.45518 -0.05978 -0.12326 -0.38555 135 16 H 1S 0.00983 -0.14393 -0.03350 0.06507 0.01665 136 2S -0.17965 0.22770 0.11806 0.28485 0.22195 137 17 H 1S 0.13595 0.12872 -0.39394 0.13618 -0.11560 138 2S 0.41766 -0.44719 -0.30521 -0.03883 0.04135 139 18 H 1S -0.13598 0.12899 0.39392 0.13695 -0.11588 140 2S -0.41759 -0.44671 0.30558 -0.03874 0.04134 141 19 O 1S -0.01097 0.00403 -0.00323 0.00410 0.00961 142 2S 0.21414 0.13378 -0.26018 -0.02681 0.20287 143 2PX -0.08250 0.13835 0.24214 -0.17362 0.12455 144 2PY -0.31257 0.04465 0.12090 0.28147 -0.23607 145 2PZ 0.23528 0.04169 0.32208 -0.12898 -0.05312 146 3S -0.27864 -0.21643 0.26792 0.14094 -0.58557 147 3PX 0.35615 -0.13232 -0.57822 0.22599 -0.11845 148 3PY 0.54130 0.01218 -0.34042 -0.45832 0.36161 149 3PZ -0.39135 0.02065 -0.40819 0.32211 0.16087 150 4XX 0.10165 0.05197 -0.01146 0.00728 0.13812 151 4YY -0.00615 -0.00952 -0.06237 0.02038 -0.06402 152 4ZZ 0.09339 0.06526 -0.15924 -0.07780 0.11542 153 4XY -0.02735 -0.03284 0.01448 -0.04612 -0.01555 154 4XZ 0.03506 -0.03605 0.11677 -0.02188 -0.01774 155 4YZ 0.01413 -0.00339 -0.02749 -0.00965 0.00055 156 20 O 1S 0.01097 0.00403 0.00323 0.00409 0.00962 157 2S -0.21410 0.13387 0.26008 -0.02708 0.20307 158 2PX 0.08268 0.13816 -0.24217 -0.17337 0.12443 159 2PY -0.31248 -0.04451 0.12098 -0.28197 0.23635 160 2PZ -0.23533 0.04138 -0.32222 -0.12927 -0.05311 161 3S 0.27849 -0.21645 -0.26777 0.14243 -0.58647 162 3PX -0.35648 -0.13196 0.57813 0.22584 -0.11847 163 3PY 0.54115 -0.01255 -0.34044 0.45916 -0.36207 164 3PZ 0.39145 0.02109 0.40833 0.32256 0.16092 165 4XX -0.10164 0.05195 0.01141 0.00707 0.13821 166 4YY 0.00614 -0.00953 0.06240 0.02034 -0.06398 167 4ZZ -0.09335 0.06537 0.15917 -0.07783 0.11548 168 4XY -0.02736 0.03286 0.01448 0.04613 0.01556 169 4XZ -0.03507 -0.03610 -0.11675 -0.02202 -0.01771 170 4YZ 0.01415 0.00334 -0.02750 0.00970 -0.00061 171 21 C 1S 0.00000 -0.00528 0.00001 0.05233 -0.05100 172 2S -0.00007 -0.08699 0.00011 0.81779 -0.78607 173 2PX 0.00000 0.22095 -0.00009 0.16826 0.10881 174 2PY 0.16912 -0.00003 -0.12325 0.00013 -0.00006 175 2PZ -0.00002 -0.07486 -0.00001 0.07339 0.00848 176 3S 0.00008 0.40704 -0.00043 -1.40325 1.65038 177 3PX 0.00002 -0.15064 0.00005 -0.15874 -0.25126 178 3PY -0.56937 0.00009 0.52687 -0.00026 0.00010 179 3PZ 0.00009 0.12865 0.00013 -0.58010 -0.19229 180 4XX -0.00002 -0.08740 0.00004 0.02816 -0.20962 181 4YY -0.00002 0.02557 -0.00005 0.10916 -0.00385 182 4ZZ 0.00001 0.02368 0.00003 0.02920 0.03403 183 4XY 0.06237 0.00000 0.05635 0.00009 -0.00004 184 4XZ 0.00003 0.04281 -0.00001 -0.07602 0.09103 185 4YZ 0.02633 0.00008 0.19722 0.00009 0.00000 186 22 H 1S 0.00002 0.09881 -0.00003 0.20891 0.00239 187 2S -0.00013 -0.27750 0.00006 0.53717 -0.37956 188 23 H 1S 0.00003 0.14559 -0.00003 0.09505 -0.08850 189 2S 0.00000 -0.23279 0.00017 0.08109 -0.55415 111 112 113 114 115 V V V V V Eigenvalues -- 1.14031 1.14812 1.19960 1.20299 1.25152 1 1 C 1S 0.00070 0.01033 -0.00803 -0.01079 0.00993 2 2S 0.11850 0.38151 -0.00694 -0.34131 0.07674 3 2PX -0.04024 -0.06512 -0.01469 -0.12715 0.09262 4 2PY -0.04171 -0.05394 0.03208 -0.07577 0.02303 5 2PZ 0.00624 0.00936 -0.02417 0.15389 -0.07787 6 3S -0.76628 -1.15528 0.17749 -0.04157 -0.64541 7 3PX 0.52577 -0.06394 -0.13795 0.26890 -0.17568 8 3PY 0.21008 0.16281 -0.30531 -0.73471 0.15667 9 3PZ -0.72468 0.39656 0.20184 -0.98799 0.52252 10 4XX 0.04356 -0.01561 -0.00029 0.03703 -0.03394 11 4YY 0.00495 0.04664 0.01627 -0.01112 0.04272 12 4ZZ -0.02906 0.01731 -0.03825 -0.06218 0.01583 13 4XY 0.02937 -0.05034 -0.01030 -0.01457 0.14149 14 4XZ -0.05648 -0.00731 -0.07834 -0.00872 -0.02792 15 4YZ -0.04869 -0.05235 0.00932 -0.03762 0.00603 16 2 C 1S 0.00036 -0.03050 0.00085 0.01808 -0.02269 17 2S -0.48246 -0.55098 0.17878 0.14707 -0.44892 18 2PX 0.09352 -0.03410 -0.12403 -0.06277 0.09823 19 2PY -0.23621 -0.11115 -0.13172 -0.37710 0.02459 20 2PZ -0.07282 0.00462 -0.05147 -0.04311 0.00607 21 3S 0.30866 2.12343 -0.59401 -1.70572 0.84794 22 3PX -0.57803 0.31706 0.05964 0.53567 -0.73344 23 3PY 0.44774 0.55887 0.58142 1.78500 -0.18554 24 3PZ 0.24888 -0.07801 0.14815 0.07543 0.55811 25 4XX 0.05145 -0.02265 -0.10541 -0.06220 -0.02824 26 4YY -0.04495 -0.03275 0.08753 0.13550 -0.00651 27 4ZZ -0.04514 -0.00934 0.01606 -0.02803 -0.03850 28 4XY 0.04808 -0.02068 0.06519 0.00033 -0.01031 29 4XZ 0.07616 0.04123 0.01868 0.07249 -0.04157 30 4YZ 0.02988 0.00380 -0.00236 -0.06605 0.02951 31 3 C 1S -0.00035 -0.03050 0.00064 -0.01806 -0.02270 32 2S 0.48355 -0.55106 0.17720 -0.14868 -0.44889 33 2PX -0.09383 -0.03410 -0.12342 0.06427 0.09822 34 2PY -0.23624 0.11097 0.12739 -0.37856 -0.02482 35 2PZ 0.07300 0.00471 -0.05102 0.04358 0.00614 36 3S -0.31193 2.12417 -0.57451 1.71115 0.84916 37 3PX 0.57946 0.31707 0.05397 -0.53667 -0.73366 38 3PY 0.44841 -0.55777 -0.56124 1.79115 0.18617 39 3PZ -0.25136 -0.07839 0.14741 -0.07677 0.55773 40 4XX -0.05143 -0.02260 -0.10470 0.06342 -0.02823 41 4YY 0.04500 -0.03282 0.08600 -0.13644 -0.00656 42 4ZZ 0.04513 -0.00933 0.01639 0.02785 -0.03849 43 4XY 0.04815 0.02069 -0.06523 0.00115 0.01038 44 4XZ -0.07623 0.04122 0.01784 -0.07270 -0.04164 45 4YZ 0.02984 -0.00382 0.00165 -0.06610 -0.02956 46 4 C 1S -0.00073 0.01033 -0.00790 0.01087 0.00996 47 2S -0.11923 0.38144 -0.00302 0.34130 0.07731 48 2PX 0.04027 -0.06507 -0.01326 0.12729 0.09269 49 2PY -0.04185 0.05392 -0.03293 -0.07538 -0.02308 50 2PZ -0.00621 0.00929 -0.02591 -0.15360 -0.07797 51 3S 0.77032 -1.15418 0.17773 0.04000 -0.64684 52 3PX -0.52573 -0.06402 -0.14113 -0.26709 -0.17582 53 3PY 0.21115 -0.16361 0.29678 -0.73816 -0.15634 54 3PZ 0.72357 0.39692 0.21316 0.98526 0.52333 55 4XX -0.04357 -0.01564 -0.00071 -0.03703 -0.03395 56 4YY -0.00504 0.04664 0.01640 0.01094 0.04268 57 4ZZ 0.02907 0.01735 -0.03753 0.06259 0.01593 58 4XY 0.02941 0.05032 0.01015 -0.01468 -0.14150 59 4XZ 0.05657 -0.00730 -0.07824 0.00967 -0.02792 60 4YZ -0.04882 0.05233 -0.00974 -0.03754 -0.00605 61 5 H 1S 0.36989 -0.07057 -0.13071 0.06659 -0.01867 62 2S 0.32743 0.13690 -0.18505 0.21750 -0.26592 63 6 H 1S -0.36999 -0.07061 -0.13146 -0.06514 -0.01877 64 2S -0.32767 0.13676 -0.18747 -0.21531 -0.26610 65 7 C 1S 0.00515 0.01876 0.00863 -0.00228 0.01885 66 2S -0.36926 0.18802 0.42573 -0.15546 0.48295 67 2PX -0.17546 0.01021 0.16554 -0.06126 0.21604 68 2PY -0.20105 0.00335 0.02028 0.12778 -0.09727 69 2PZ 0.08629 0.00374 -0.07570 -0.13084 -0.01921 70 3S 1.25890 0.01762 -1.11826 -0.59938 -0.80906 71 3PX 0.78879 -0.43480 0.21793 0.25331 -0.69477 72 3PY 0.93715 -0.09698 -0.00418 -0.78089 0.39633 73 3PZ -1.11283 0.10293 -0.26290 0.28721 0.27163 74 4XX 0.04981 0.04592 0.02234 -0.01376 0.10474 75 4YY -0.00072 0.00143 0.08772 -0.00936 0.00857 76 4ZZ -0.06028 0.03075 -0.11433 -0.01026 -0.03672 77 4XY 0.00079 -0.06569 -0.11778 0.02299 0.03194 78 4XZ 0.03229 -0.00408 -0.05359 0.05201 0.01886 79 4YZ -0.05435 -0.11576 0.00901 0.02838 0.08208 80 8 C 1S -0.00520 0.01876 0.00866 0.00217 0.01884 81 2S 0.36907 0.18802 0.42772 0.15028 0.48283 82 2PX 0.17545 0.01018 0.16630 0.05927 0.21601 83 2PY -0.20083 -0.00328 -0.01882 0.12786 0.09731 84 2PZ -0.08617 0.00375 -0.07424 0.13172 -0.01917 85 3S -1.25845 0.01811 -1.11190 0.61231 -0.80834 86 3PX -0.78933 -0.43485 0.21453 -0.25512 -0.69477 87 3PY 0.93600 0.09616 -0.00419 -0.78052 -0.39727 88 3PZ 1.11336 0.10304 -0.26546 -0.28469 0.27133 89 4XX -0.05003 0.04591 0.02251 0.01347 0.10471 90 4YY 0.00068 0.00139 0.08782 0.00837 0.00861 91 4ZZ 0.06046 0.03082 -0.11419 0.01152 -0.03676 92 4XY 0.00067 0.06572 0.11803 0.02170 -0.03191 93 4XZ -0.03233 -0.00408 -0.05420 -0.05137 0.01886 94 4YZ -0.05451 0.11575 -0.00866 0.02854 -0.08204 95 9 H 1S -0.02309 -0.10262 0.11184 -0.54305 -0.11355 96 2S -0.16250 0.03417 0.27389 -0.85402 -0.30939 97 10 H 1S 0.02306 -0.10233 0.11796 0.54192 -0.11322 98 2S 0.16297 0.03456 0.28358 0.85118 -0.30896 99 11 C 1S 0.03033 0.02182 -0.02580 -0.01268 -0.04970 100 2S 0.35289 0.37168 -0.41406 -0.14704 -1.01086 101 2PX 0.15328 0.12458 0.10000 -0.16920 0.18909 102 2PY -0.00292 0.04700 0.01513 -0.05202 0.10148 103 2PZ 0.02862 -0.01083 -0.02771 0.01995 -0.03555 104 3S -1.22197 -1.52671 0.96360 1.45914 2.07883 105 3PX -0.84559 0.03201 -0.07437 0.71420 -0.42244 106 3PY -0.28669 -0.37134 0.31477 -1.11154 0.20670 107 3PZ -0.19187 -0.30392 -0.09301 0.40922 0.15236 108 4XX 0.08624 0.00653 0.00534 -0.07628 -0.05031 109 4YY 0.01135 0.03133 -0.03831 0.01751 -0.08256 110 4ZZ -0.04031 0.02229 -0.03333 0.04604 -0.02755 111 4XY -0.01952 0.07478 0.03719 -0.05614 -0.01036 112 4XZ -0.00156 0.01787 -0.08422 -0.00351 0.03987 113 4YZ 0.01205 -0.01885 -0.10109 0.04697 0.05645 114 12 H 1S 0.00748 0.05980 -0.11746 0.16998 -0.16686 115 2S 0.29449 0.16116 -0.32571 0.09217 -0.35612 116 13 H 1S 0.29805 0.06891 -0.17912 -0.11355 -0.17681 117 2S 0.48408 0.29192 -0.07042 -0.24697 -0.14681 118 14 C 1S -0.03029 0.02183 -0.02567 0.01299 -0.04970 119 2S -0.35238 0.37179 -0.41255 0.15198 -1.01088 120 2PX -0.15317 0.12466 0.10186 0.16788 0.18923 121 2PY -0.00305 -0.04697 -0.01570 -0.05170 -0.10145 122 2PZ -0.02853 -0.01091 -0.02798 -0.01969 -0.03554 123 3S 1.21968 -1.52759 0.94768 -1.47007 2.07850 124 3PX 0.84546 0.03166 -0.08193 -0.71267 -0.42301 125 3PY -0.28555 0.37062 -0.32717 -1.10824 -0.20766 126 3PZ 0.19172 -0.30380 -0.09736 -0.40818 0.15193 127 4XX -0.08620 0.00659 0.00618 0.07625 -0.05026 128 4YY -0.01134 0.03128 -0.03856 -0.01709 -0.08256 129 4ZZ 0.04035 0.02229 -0.03380 -0.04564 -0.02761 130 4XY -0.01952 -0.07482 -0.03779 -0.05565 0.01032 131 4XZ 0.00164 0.01785 -0.08421 0.00442 0.03987 132 4YZ 0.01198 0.01888 0.10158 0.04583 -0.05641 133 15 H 1S -0.00725 0.05972 -0.11937 -0.16859 -0.16706 134 2S -0.29412 0.16125 -0.32666 -0.08834 -0.35630 135 16 H 1S -0.29776 0.06893 -0.17799 0.11559 -0.17676 136 2S -0.48362 0.29198 -0.06779 0.24754 -0.14669 137 17 H 1S 0.34233 0.03372 -0.18023 -0.03772 0.08918 138 2S 0.10146 0.12947 0.29983 0.13418 0.52854 139 18 H 1S -0.34189 0.03364 -0.17987 0.03967 0.08916 140 2S -0.10173 0.12929 0.29801 -0.13789 0.52846 141 19 O 1S -0.00893 0.01452 -0.01743 -0.00145 -0.00470 142 2S -0.11359 0.20109 -0.30361 -0.05834 0.07031 143 2PX 0.03283 -0.04153 -0.34004 -0.15293 0.16414 144 2PY 0.19488 -0.02520 -0.05014 -0.05739 0.05318 145 2PZ -0.02552 -0.47685 -0.02074 0.03043 -0.05150 146 3S 0.70705 -0.59209 0.72189 -0.03342 0.08748 147 3PX 0.18277 -0.04962 0.88298 0.26886 -0.39545 148 3PY -0.34297 -0.01278 0.08007 0.17301 -0.05101 149 3PZ -0.03582 0.90237 -0.09712 -0.13680 0.15835 150 4XX -0.07126 0.10894 -0.14015 -0.02700 -0.05578 151 4YY -0.02399 0.02560 -0.03907 -0.02696 0.05015 152 4ZZ -0.02300 0.04194 -0.07887 0.01918 0.02733 153 4XY -0.01227 -0.05389 0.00785 -0.02306 0.00481 154 4XZ -0.04924 -0.00478 0.04116 0.03516 -0.03438 155 4YZ -0.01639 -0.09887 -0.05296 0.03920 -0.03913 156 20 O 1S 0.00893 0.01452 -0.01740 0.00164 -0.00470 157 2S 0.11339 0.20095 -0.30288 0.06174 0.07032 158 2PX -0.03327 -0.04143 -0.33821 0.15683 0.16405 159 2PY 0.19399 0.02523 0.04951 -0.05771 -0.05318 160 2PZ 0.02537 -0.47677 -0.02119 -0.02992 -0.05145 161 3S -0.70635 -0.59169 0.72189 0.02521 0.08743 162 3PX -0.18232 -0.04977 0.87948 -0.27876 -0.39515 163 3PY -0.34151 0.01276 -0.07813 0.17347 0.05111 164 3PZ 0.03628 0.90224 -0.09528 0.13726 0.15821 165 4XX 0.07114 0.10892 -0.13983 0.02864 -0.05573 166 4YY 0.02416 0.02553 -0.03876 0.02729 0.05013 167 4ZZ 0.02271 0.04189 -0.07904 -0.01823 0.02731 168 4XY -0.01221 0.05387 -0.00815 -0.02299 -0.00477 169 4XZ 0.04919 -0.00474 0.04074 -0.03560 -0.03434 170 4YZ -0.01637 0.09889 0.05339 0.03853 0.03918 171 21 C 1S 0.00009 0.00536 -0.03742 0.00018 0.03728 172 2S 0.00137 0.08041 -0.59452 0.00288 0.59558 173 2PX 0.00015 0.04553 -0.08262 0.00043 -0.02465 174 2PY -0.08545 0.00005 0.00026 0.05381 0.00004 175 2PZ 0.00006 -0.04806 0.14553 -0.00081 -0.07811 176 3S -0.00250 -0.28317 1.68982 -0.00848 -1.71781 177 3PX -0.00005 -0.17369 -0.16481 0.00101 -0.00860 178 3PY 0.01211 -0.00009 -0.00173 -0.28566 0.00010 179 3PZ -0.00051 -0.44335 -0.52679 0.00313 0.40260 180 4XX 0.00016 -0.12861 0.07270 -0.00045 0.05276 181 4YY 0.00012 0.02216 -0.06309 0.00035 -0.03785 182 4ZZ 0.00001 0.09973 -0.04312 0.00021 0.04173 183 4XY -0.06629 -0.00001 -0.00007 -0.01340 0.00000 184 4XZ -0.00014 -0.03807 -0.13919 0.00085 -0.00374 185 4YZ -0.02378 -0.00005 0.00001 -0.00207 -0.00007 186 22 H 1S 0.00025 0.20203 -0.14657 0.00070 0.08958 187 2S 0.00078 -0.00270 -0.04589 0.00003 0.07190 188 23 H 1S 0.00019 -0.07473 -0.30369 0.00165 0.18732 189 2S 0.00037 0.00419 -0.38846 0.00204 0.39040 116 117 118 119 120 V V V V V Eigenvalues -- 1.28995 1.31430 1.32933 1.39991 1.41504 1 1 C 1S 0.03117 0.02924 0.00906 -0.00351 -0.04953 2 2S 0.67346 0.56152 0.32281 0.03859 -0.90295 3 2PX -0.18856 -0.05165 -0.03612 0.05443 -0.12235 4 2PY 0.03638 -0.05316 0.07036 0.06913 0.02593 5 2PZ 0.04528 -0.00423 -0.09306 0.00733 0.07053 6 3S -1.59925 -2.60041 -0.33435 0.50432 5.14136 7 3PX 1.06413 0.21094 -0.00278 -0.16974 1.04355 8 3PY 0.11359 0.12622 -0.20109 -0.53884 2.77091 9 3PZ -1.10841 0.28739 0.31239 0.09312 -2.23163 10 4XX -0.05965 0.00898 -0.14617 -0.06655 0.11369 11 4YY 0.01026 0.01266 0.05376 -0.02260 0.01067 12 4ZZ 0.11229 0.03856 0.07476 0.10909 -0.15328 13 4XY -0.00793 -0.00975 -0.00624 0.10960 0.02345 14 4XZ -0.04926 -0.01280 0.05169 0.19418 -0.16019 15 4YZ -0.04929 -0.04452 0.02243 0.00901 0.02006 16 2 C 1S -0.00268 0.00523 0.01338 0.00486 -0.00689 17 2S -0.03664 -0.26586 0.15239 0.06332 0.12580 18 2PX -0.00637 0.11118 -0.03431 -0.01704 -0.01385 19 2PY 0.04654 -0.05501 0.02071 -0.03418 0.07722 20 2PZ -0.03069 -0.07826 -0.00740 0.02832 -0.19211 21 3S -0.03364 0.98372 -0.49641 -0.11444 -2.03325 22 3PX -0.15719 -0.18322 -0.03418 0.40246 -0.52254 23 3PY -0.85808 0.42881 0.16353 0.50426 -1.92277 24 3PZ 0.02064 0.94137 0.21969 -0.51264 0.42013 25 4XX -0.02102 -0.00190 -0.06966 0.17012 -0.03991 26 4YY -0.03074 0.01257 0.03477 0.01999 -0.10286 27 4ZZ 0.03157 0.01543 0.02080 -0.18126 0.09062 28 4XY -0.07053 -0.04553 -0.09536 -0.10137 0.21600 29 4XZ -0.01313 0.04322 -0.06414 -0.11997 0.06577 30 4YZ 0.02543 -0.02119 0.02056 0.05698 -0.04074 31 3 C 1S 0.00269 -0.00523 0.01337 0.00485 0.00687 32 2S 0.03667 0.26615 0.15232 0.06322 -0.12612 33 2PX 0.00637 -0.11130 -0.03433 -0.01705 0.01389 34 2PY 0.04647 -0.05504 -0.02072 0.03418 0.07723 35 2PZ 0.03064 0.07826 -0.00740 0.02817 0.19221 36 3S 0.03336 -0.98444 -0.49592 -0.11570 2.03444 37 3PX 0.15684 0.18332 -0.03383 0.40198 0.52330 38 3PY -0.85797 0.42908 -0.16346 -0.50291 -1.92293 39 3PZ -0.01990 -0.94165 0.21954 -0.51199 -0.42108 40 4XX 0.02095 0.00186 -0.06978 0.17002 0.03997 41 4YY 0.03072 -0.01253 0.03483 0.01997 0.10296 42 4ZZ -0.03150 -0.01544 0.02081 -0.18119 -0.09078 43 4XY -0.07048 -0.04548 0.09549 0.10122 0.21612 44 4XZ 0.01306 -0.04327 -0.06415 -0.11984 -0.06577 45 4YZ 0.02545 -0.02118 -0.02057 -0.05692 -0.04072 46 4 C 1S -0.03116 -0.02925 0.00910 -0.00355 0.04953 47 2S -0.67314 -0.56172 0.32353 0.03780 0.90290 48 2PX 0.18852 0.05165 -0.03627 0.05435 0.12236 49 2PY 0.03639 -0.05317 -0.07035 -0.06910 0.02599 50 2PZ -0.04538 0.00428 -0.09301 0.00737 -0.07038 51 3S 1.59828 2.60115 -0.33675 0.50827 -5.14134 52 3PX -1.06412 -0.21093 -0.00207 -0.16916 -1.04412 53 3PY 0.11293 0.12645 0.20150 0.53625 2.77027 54 3PZ 1.10886 -0.28768 0.31172 0.09175 2.23216 55 4XX 0.05952 -0.00898 -0.14624 -0.06637 -0.11374 56 4YY -0.01018 -0.01268 0.05377 -0.02262 -0.01073 57 4ZZ -0.11226 -0.03856 0.07487 0.10891 0.15342 58 4XY -0.00797 -0.00972 0.00622 -0.10967 0.02339 59 4XZ 0.04927 0.01283 0.05169 0.19400 0.16040 60 4YZ -0.04927 -0.04452 -0.02237 -0.00902 0.02016 61 5 H 1S 0.44718 0.19617 -0.05036 -0.14901 0.38541 62 2S 0.73880 0.30885 -0.06965 -0.15516 0.72780 63 6 H 1S -0.44715 -0.19620 -0.05005 -0.14872 -0.38549 64 2S -0.73883 -0.30882 -0.06905 -0.15463 -0.72769 65 7 C 1S -0.02563 0.00955 -0.00969 -0.00083 0.01112 66 2S -0.35266 -0.21779 -0.22760 -0.05543 0.43057 67 2PX 0.03964 -0.04214 -0.06777 -0.08539 0.15576 68 2PY 0.01678 -0.00710 0.03188 0.04340 -0.06696 69 2PZ -0.11203 -0.13185 -0.11001 0.07883 0.05174 70 3S 1.89781 0.80718 0.30243 0.12177 -1.17177 71 3PX -0.59151 -0.81592 -0.07463 0.22862 -0.18333 72 3PY 1.30764 -0.56334 -0.00478 -0.15200 -0.37598 73 3PZ 0.67901 1.35684 0.26560 -0.21982 -0.28012 74 4XX -0.12566 0.07889 -0.15444 0.20375 -0.06901 75 4YY 0.01033 -0.00528 0.00757 0.02280 -0.01297 76 4ZZ 0.09129 -0.00613 0.08741 -0.24574 0.08011 77 4XY -0.02482 0.01111 0.24781 0.05574 0.02238 78 4XZ 0.04612 -0.02117 0.11900 0.01126 -0.06152 79 4YZ -0.00476 0.00070 0.02423 0.07459 0.00720 80 8 C 1S 0.02562 -0.00955 -0.00971 -0.00081 -0.01111 81 2S 0.35255 0.21792 -0.22790 -0.05493 -0.43047 82 2PX -0.03968 0.04215 -0.06770 -0.08526 -0.15588 83 2PY 0.01674 -0.00711 -0.03191 -0.04335 -0.06703 84 2PZ 0.11194 0.13193 -0.11014 0.07886 -0.05162 85 3S -1.89757 -0.80753 0.30397 0.12007 1.17113 86 3PX 0.59134 0.81603 -0.07544 0.22843 0.18390 87 3PY 1.30780 -0.56318 0.00392 0.15276 -0.37604 88 3PZ -0.67836 -1.35714 0.26665 -0.21998 0.27940 89 4XX 0.12555 -0.07894 -0.15455 0.20370 0.06919 90 4YY -0.01034 0.00532 0.00760 0.02282 0.01304 91 4ZZ -0.09121 0.00610 0.08747 -0.24570 -0.08040 92 4XY -0.02501 0.01105 -0.24784 -0.05578 0.02236 93 4XZ -0.04602 0.02115 0.11898 0.01120 0.06153 94 4YZ -0.00477 0.00069 -0.02428 -0.07454 0.00714 95 9 H 1S 0.23827 -0.03838 0.16164 0.15242 0.25630 96 2S 0.29047 0.01351 0.04418 0.21523 0.48498 97 10 H 1S -0.23819 0.03843 0.16174 0.15256 -0.25633 98 2S -0.29061 -0.01342 0.04430 0.21554 -0.48496 99 11 C 1S -0.00228 -0.01044 -0.02367 0.01801 0.01167 100 2S -0.15655 -0.22406 -0.47487 0.19936 0.13397 101 2PX -0.01318 -0.05943 0.04668 -0.11344 -0.05498 102 2PY -0.01822 0.01179 0.04043 -0.04612 -0.00475 103 2PZ -0.13750 -0.03581 -0.06029 -0.09408 -0.16675 104 3S -0.07594 0.78843 0.98314 -0.79943 -1.66575 105 3PX 0.33901 0.60531 -0.12104 0.40247 1.03525 106 3PY 0.33774 -0.56047 0.15463 -0.11253 0.09464 107 3PZ 0.32123 0.25698 0.20525 0.07657 0.34447 108 4XX -0.05248 -0.05321 0.02888 -0.14504 -0.08981 109 4YY -0.01899 -0.00320 -0.02690 0.03311 0.00991 110 4ZZ 0.04471 0.04360 -0.05757 0.12906 0.07456 111 4XY 0.03367 -0.02312 -0.08176 0.06333 0.02820 112 4XZ -0.02044 -0.01883 0.06610 0.05452 0.08541 113 4YZ -0.01574 -0.00528 0.02221 0.16981 0.04782 114 12 H 1S 0.02908 0.07104 -0.08841 0.10187 0.19942 115 2S 0.03000 -0.04832 -0.03602 0.18938 0.32921 116 13 H 1S -0.08404 -0.14725 -0.10321 0.09532 -0.10433 117 2S -0.22141 -0.20810 -0.16644 -0.15179 -0.24704 118 14 C 1S 0.00224 0.01045 -0.02369 0.01804 -0.01162 119 2S 0.15576 0.22414 -0.47526 0.19975 -0.13330 120 2PX 0.01326 0.05943 0.04660 -0.11353 0.05480 121 2PY -0.01829 0.01181 -0.04038 0.04611 -0.00468 122 2PZ 0.13746 0.03584 -0.06042 -0.09420 0.16671 123 3S 0.07805 -0.78864 0.98446 -0.80159 1.66395 124 3PX -0.33942 -0.60514 -0.12053 0.40339 -1.03462 125 3PY 0.33731 -0.56055 -0.15486 0.11268 0.09468 126 3PZ -0.32091 -0.25715 0.20582 0.07694 -0.34462 127 4XX 0.05249 0.05325 0.02874 -0.14509 0.08974 128 4YY 0.01895 0.00321 -0.02688 0.03316 -0.00985 129 4ZZ -0.04479 -0.04364 -0.05750 0.12909 -0.07447 130 4XY 0.03379 -0.02307 0.08173 -0.06339 0.02820 131 4XZ 0.02051 0.01883 0.06608 0.05461 -0.08537 132 4YZ -0.01575 -0.00525 -0.02217 -0.16988 0.04776 133 15 H 1S -0.02927 -0.07103 -0.08841 0.10215 -0.19925 134 2S -0.03022 0.04830 -0.03608 0.18978 -0.32895 135 16 H 1S 0.08386 0.14727 -0.10340 0.09531 0.10451 136 2S 0.22118 0.20812 -0.16684 -0.15191 0.24697 137 17 H 1S -0.19108 -0.11324 0.10679 -0.01369 0.02717 138 2S -0.28850 -0.20200 0.01925 -0.17485 0.02171 139 18 H 1S 0.19117 0.11326 0.10655 -0.01369 -0.02710 140 2S 0.28865 0.20201 0.01897 -0.17485 -0.02199 141 19 O 1S 0.01587 -0.00316 0.02311 0.00413 -0.00570 142 2S 0.08209 -0.05082 0.16104 0.02998 -0.03195 143 2PX -0.29780 0.40057 -0.13381 -0.09180 0.05699 144 2PY 0.01120 -0.20424 -0.03468 -0.00216 -0.00029 145 2PZ -0.07449 -0.22285 -0.06891 -0.01146 -0.00969 146 3S -0.80802 -0.25249 -0.83249 -0.12501 0.28169 147 3PX 0.54105 -1.41938 0.30847 0.27722 -0.10486 148 3PY -0.26456 0.56960 -0.09557 -0.04484 0.07853 149 3PZ 0.05201 0.70378 0.10788 0.09012 0.02527 150 4XX 0.09923 -0.02074 0.20352 -0.15975 0.04809 151 4YY 0.03544 -0.10550 -0.14811 0.01985 -0.02454 152 4ZZ -0.03098 0.08106 0.14086 0.16716 -0.06195 153 4XY -0.07215 0.05398 -0.10625 -0.07792 0.06242 154 4XZ 0.09989 0.01070 0.03844 -0.05979 -0.01877 155 4YZ -0.03432 0.00582 0.09220 -0.11414 0.03438 156 20 O 1S -0.01585 0.00316 0.02313 0.00412 0.00570 157 2S -0.08188 0.05080 0.16108 0.02990 0.03192 158 2PX 0.29776 -0.40073 -0.13406 -0.09169 -0.05723 159 2PY 0.01122 -0.20438 0.03472 0.00217 -0.00034 160 2PZ 0.07440 0.22282 -0.06900 -0.01149 0.00977 161 3S 0.80720 0.25253 -0.83329 -0.12453 -0.28169 162 3PX -0.54095 1.41979 0.30874 0.27695 0.10579 163 3PY -0.26451 0.56998 0.09568 0.04466 0.07882 164 3PZ -0.05187 -0.70366 0.10808 0.09021 -0.02554 165 4XX -0.09903 0.02073 0.20357 -0.15972 -0.04830 166 4YY -0.03554 0.10549 -0.14805 0.01975 0.02453 167 4ZZ 0.03108 -0.08104 0.14083 0.16713 0.06215 168 4XY -0.07205 0.05403 0.10633 0.07784 0.06251 169 4XZ -0.09989 -0.01070 0.03854 -0.05982 0.01872 170 4YZ -0.03439 0.00587 -0.09228 0.11406 0.03449 171 21 C 1S 0.00000 -0.00001 -0.02262 -0.01888 -0.00003 172 2S -0.00007 -0.00016 -0.45086 -0.20954 -0.00041 173 2PX 0.00008 0.00004 0.11656 0.01173 0.00001 174 2PY -0.06318 0.20282 0.00001 -0.00003 0.01396 175 2PZ 0.00001 0.00004 0.00358 0.00148 0.00000 176 3S 0.00037 0.00050 1.47752 0.84512 0.00150 177 3PX -0.00012 -0.00007 -0.16312 0.00636 0.00015 178 3PY -0.55412 1.21998 0.00017 -0.00017 0.18473 179 3PZ -0.00025 0.00001 -0.36983 -0.17753 -0.00010 180 4XX -0.00011 -0.00002 -0.23565 0.00786 0.00001 181 4YY 0.00004 0.00005 0.17135 -0.04018 0.00000 182 4ZZ 0.00005 -0.00003 0.03105 0.03381 -0.00001 183 4XY -0.03122 0.13711 -0.00001 -0.00002 0.02980 184 4XZ 0.00004 0.00000 0.13747 -0.10837 -0.00006 185 4YZ 0.13797 -0.15981 0.00000 0.00000 -0.02517 186 22 H 1S 0.00003 -0.00003 -0.00081 -0.07502 -0.00014 187 2S -0.00001 -0.00004 -0.13070 -0.10660 -0.00018 188 23 H 1S -0.00002 -0.00006 -0.15792 -0.12188 -0.00016 189 2S -0.00019 -0.00013 -0.42774 -0.09769 -0.00015 121 122 123 124 125 V V V V V Eigenvalues -- 1.44139 1.46297 1.48672 1.53313 1.56391 1 1 C 1S -0.00269 0.00163 0.00073 0.00376 0.00230 2 2S -0.00584 -0.17441 0.16641 -0.13226 -0.11620 3 2PX 0.07806 -0.07060 -0.03919 0.04430 0.05905 4 2PY 0.04394 -0.08797 0.00473 -0.07034 -0.02251 5 2PZ 0.03106 0.13653 -0.06155 0.19847 0.01866 6 3S 0.38448 -0.40568 -0.87257 -0.51873 -0.51583 7 3PX -0.17683 0.07223 -0.38889 0.20572 -0.36348 8 3PY -0.41676 0.51489 -0.28436 0.59034 -0.27643 9 3PZ 0.14990 -0.20445 0.87004 -0.26953 0.38749 10 4XX -0.14192 -0.03459 0.01588 -0.09001 0.08206 11 4YY 0.01133 0.00717 0.00376 -0.06490 0.00011 12 4ZZ 0.14460 0.02640 -0.04315 0.18471 -0.05816 13 4XY 0.04859 0.24111 -0.02010 -0.40936 -0.02196 14 4XZ 0.18511 0.06338 -0.10529 0.04763 0.03174 15 4YZ -0.05615 0.00898 0.02372 -0.26786 -0.01025 16 2 C 1S -0.01080 -0.04230 -0.00030 -0.01460 -0.02192 17 2S -0.09072 -0.48609 0.14056 -0.06221 -0.41644 18 2PX 0.03347 0.06897 -0.13448 0.03962 0.07304 19 2PY -0.08528 0.04516 -0.02384 0.03540 -0.06150 20 2PZ 0.06339 0.06745 -0.02459 0.01703 0.04954 21 3S 0.16405 1.73972 0.22154 0.14528 1.51110 22 3PX 0.13904 0.09181 0.04212 -0.67296 0.29101 23 3PY 0.35104 -0.33621 0.46153 -0.53949 0.83570 24 3PZ -0.42313 -0.09769 0.35587 0.51685 -0.25084 25 4XX 0.04856 -0.13946 -0.10995 -0.02555 0.00822 26 4YY 0.08145 0.01966 0.02669 -0.00023 0.01448 27 4ZZ -0.14010 0.07052 0.06690 0.01350 0.00642 28 4XY -0.13855 -0.18348 0.12805 -0.03941 -0.08370 29 4XZ -0.10014 -0.10619 0.06119 0.05447 0.08725 30 4YZ 0.01122 -0.16331 0.02026 0.03374 -0.07278 31 3 C 1S -0.01080 -0.04231 0.00029 -0.01460 0.02192 32 2S -0.09075 -0.48600 -0.14081 -0.06208 0.41651 33 2PX 0.03343 0.06886 0.13454 0.03968 -0.07307 34 2PY 0.08534 -0.04517 -0.02384 -0.03549 -0.06147 35 2PZ 0.06340 0.06734 0.02461 0.01694 -0.04956 36 3S 0.16426 1.73940 -0.22075 0.14416 -1.51120 37 3PX 0.13918 0.09165 -0.04191 -0.67329 -0.29102 38 3PY -0.35147 0.33659 0.46161 0.54043 0.83535 39 3PZ -0.42313 -0.09736 -0.35598 0.51686 0.25101 40 4XX 0.04848 -0.13963 0.10982 -0.02553 -0.00818 41 4YY 0.08153 0.01965 -0.02664 -0.00025 -0.01449 42 4ZZ -0.14009 0.07066 -0.06684 0.01349 -0.00645 43 4XY 0.13855 0.18331 0.12821 0.03937 -0.08369 44 4XZ -0.10008 -0.10611 -0.06128 0.05444 -0.08725 45 4YZ -0.01118 0.16328 0.02041 -0.03370 -0.07282 46 4 C 1S -0.00269 0.00161 -0.00073 0.00374 -0.00230 47 2S -0.00581 -0.17454 -0.16647 -0.13261 0.11623 48 2PX 0.07806 -0.07071 0.03914 0.04427 -0.05907 49 2PY -0.04392 0.08791 0.00475 0.07028 -0.02253 50 2PZ 0.03105 0.13653 0.06153 0.19854 -0.01867 51 3S 0.38390 -0.40471 0.87258 -0.51633 0.51582 52 3PX -0.17708 0.07251 0.38886 0.20649 0.36351 53 3PY 0.41699 -0.51550 -0.28416 -0.59134 -0.27619 54 3PZ 0.15025 -0.20484 -0.87010 -0.27103 -0.38753 55 4XX -0.14188 -0.03444 -0.01583 -0.09013 -0.08200 56 4YY 0.01129 0.00710 -0.00373 -0.06486 -0.00015 57 4ZZ 0.14459 0.02631 0.04307 0.18479 0.05814 58 4XY -0.04865 -0.24113 -0.02051 0.40932 -0.02200 59 4XZ 0.18507 0.06319 0.10530 0.04767 -0.03177 60 4YZ 0.05616 -0.00899 0.02359 0.26779 -0.01031 61 5 H 1S -0.17119 0.07838 -0.16831 0.07793 -0.04464 62 2S -0.16448 0.23275 -0.28832 0.28713 -0.17352 63 6 H 1S -0.17125 0.07842 0.16832 0.07815 0.04463 64 2S -0.16457 0.23287 0.28832 0.28759 0.17351 65 7 C 1S 0.00938 0.01922 0.00279 0.01315 0.01255 66 2S 0.16066 0.27575 0.12773 0.33372 -0.03114 67 2PX 0.10334 0.06925 0.01684 0.10648 -0.04723 68 2PY 0.01875 0.00383 -0.04230 -0.03988 0.00244 69 2PZ 0.07024 0.06904 0.05209 0.06972 0.04359 70 3S -0.41389 -0.81446 -1.20803 -0.77906 0.89516 71 3PX -0.04846 0.02187 0.33456 -0.07994 -1.05662 72 3PY 0.07494 0.27887 -0.99059 0.31455 -0.25611 73 3PZ -0.12781 -0.24031 -0.70366 -0.15205 0.30026 74 4XX -0.18104 0.01180 0.06933 0.01375 -0.00233 75 4YY 0.04361 0.05876 -0.01656 0.05108 -0.00539 76 4ZZ 0.12281 -0.08190 -0.08165 -0.09646 0.08966 77 4XY -0.25746 -0.01944 -0.04607 -0.00810 -0.00889 78 4XZ -0.09089 0.02207 -0.01313 -0.01931 -0.01462 79 4YZ -0.20777 0.03232 -0.03896 0.04750 -0.03627 80 8 C 1S 0.00939 0.01923 -0.00279 0.01315 -0.01256 81 2S 0.16072 0.27599 -0.12779 0.33369 0.03115 82 2PX 0.10332 0.06930 -0.01686 0.10648 0.04721 83 2PY -0.01880 -0.00381 -0.04235 0.03986 0.00246 84 2PZ 0.07022 0.06906 -0.05209 0.06969 -0.04362 85 3S -0.41448 -0.81587 1.20830 -0.77866 -0.89504 86 3PX -0.04823 0.02200 -0.33455 -0.07990 1.05673 87 3PY -0.07475 -0.27786 -0.99053 -0.31479 -0.25595 88 3PZ -0.12790 -0.24088 0.70332 -0.15205 -0.30029 89 4XX -0.18101 0.01180 -0.06923 0.01363 0.00229 90 4YY 0.04351 0.05876 0.01658 0.05110 0.00540 91 4ZZ 0.12288 -0.08192 0.08156 -0.09636 -0.08965 92 4XY 0.25748 0.01945 -0.04601 0.00807 -0.00898 93 4XZ -0.09082 0.02205 0.01316 -0.01932 0.01455 94 4YZ 0.20773 -0.03226 -0.03896 -0.04744 -0.03629 95 9 H 1S -0.02401 -0.24034 -0.04469 -0.18990 -0.06557 96 2S 0.15828 -0.32294 -0.17365 -0.22288 -0.12606 97 10 H 1S -0.02409 -0.24026 0.04465 -0.18975 0.06563 98 2S 0.15807 -0.32287 0.17356 -0.22256 0.12619 99 11 C 1S 0.00350 0.03313 0.01578 -0.01335 -0.03624 100 2S -0.11487 0.38839 0.20424 -0.17958 -0.45636 101 2PX 0.07357 0.02904 0.01032 -0.04530 -0.07830 102 2PY 0.04555 -0.03213 0.00597 0.05141 -0.04420 103 2PZ -0.07002 0.03217 0.05651 0.09622 -0.00785 104 3S -0.30112 -1.21788 -0.52105 0.88495 2.30613 105 3PX 0.07044 0.05364 -0.12677 -0.23126 0.02743 106 3PY -0.16016 -0.32883 -0.15356 0.14684 -0.25788 107 3PZ 0.04690 -0.26531 -0.23777 0.04797 0.35565 108 4XX -0.05396 0.20161 0.01909 -0.00382 -0.06815 109 4YY 0.00680 0.03585 0.01410 0.05400 0.00584 110 4ZZ 0.05480 -0.19897 -0.00886 -0.05599 0.03928 111 4XY 0.08465 -0.17023 -0.01878 -0.15780 -0.02864 112 4XZ 0.03515 -0.03495 0.02765 0.13536 -0.05159 113 4YZ 0.06336 -0.19535 0.03704 0.05822 0.03338 114 12 H 1S 0.02548 0.12216 0.02471 -0.05449 -0.07921 115 2S 0.06264 0.09191 -0.00500 -0.14052 -0.19868 116 13 H 1S -0.02726 0.16912 0.10078 -0.00136 -0.13357 117 2S 0.02029 0.16214 0.18079 -0.01081 -0.27940 118 14 C 1S 0.00350 0.03314 -0.01576 -0.01337 0.03624 119 2S -0.11487 0.38846 -0.20400 -0.17978 0.45646 120 2PX 0.07356 0.02902 -0.01028 -0.04528 0.07830 121 2PY -0.04552 0.03213 0.00603 -0.05145 -0.04416 122 2PZ -0.07001 0.03215 -0.05656 0.09613 0.00785 123 3S -0.30080 -1.21833 0.52013 0.88497 -2.30634 124 3PX 0.07042 0.05378 0.12689 -0.23089 -0.02726 125 3PY 0.16040 0.32898 -0.15335 -0.14696 -0.25784 126 3PZ 0.04700 -0.26527 0.23764 0.04803 -0.35579 127 4XX -0.05394 0.20151 -0.01893 -0.00394 0.06817 128 4YY 0.00679 0.03587 -0.01413 0.05408 -0.00587 129 4ZZ 0.05479 -0.19888 0.00874 -0.05598 -0.03926 130 4XY -0.08465 0.17029 -0.01871 0.15773 -0.02864 131 4XZ 0.03514 -0.03491 -0.02776 0.13544 0.05157 132 4YZ -0.06338 0.19535 0.03720 -0.05815 0.03339 133 15 H 1S 0.02548 0.12220 -0.02463 -0.05452 0.07922 134 2S 0.06268 0.09196 0.00515 -0.14047 0.19862 135 16 H 1S -0.02727 0.16913 -0.10068 -0.00148 0.13356 136 2S 0.02029 0.16216 -0.18072 -0.01097 0.27940 137 17 H 1S 0.06380 0.13115 0.18121 0.10253 0.01968 138 2S -0.01699 0.03504 0.29889 0.14011 0.07218 139 18 H 1S 0.06377 0.13126 -0.18124 0.10254 -0.01980 140 2S -0.01696 0.03529 -0.29907 0.14009 -0.07211 141 19 O 1S -0.00034 0.00210 -0.02345 0.00647 0.05016 142 2S 0.02723 0.05470 -0.35176 0.11979 0.92075 143 2PX 0.00334 -0.07256 0.02443 -0.02799 0.09152 144 2PY 0.02778 0.06626 -0.11370 0.04316 0.15004 145 2PZ 0.10077 0.06329 -0.09492 0.06283 -0.11094 146 3S -0.09092 -0.14637 1.13507 -0.31152 -2.50813 147 3PX 0.10183 0.45870 -0.01327 0.28616 -0.39482 148 3PY -0.13775 -0.28396 0.45146 -0.26326 -0.50057 149 3PZ -0.37373 -0.27407 0.29504 -0.23722 0.52222 150 4XX 0.16976 -0.02407 -0.02075 -0.02802 0.35090 151 4YY 0.02394 -0.00735 -0.17651 0.02929 0.34550 152 4ZZ -0.18457 0.07022 -0.08353 0.08709 -0.02112 153 4XY 0.06186 -0.05494 -0.10316 -0.04256 -0.03622 154 4XZ 0.04299 -0.02511 0.15579 -0.04484 -0.13246 155 4YZ 0.10337 -0.01741 -0.29791 -0.03500 -0.18451 156 20 O 1S -0.00035 0.00207 0.02344 0.00646 -0.05017 157 2S 0.02715 0.05433 0.35169 0.11981 -0.92089 158 2PX 0.00331 -0.07247 -0.02436 -0.02792 -0.09155 159 2PY -0.02780 -0.06617 -0.11370 -0.04320 0.15008 160 2PZ 0.10081 0.06316 0.09488 0.06283 0.11096 161 3S -0.09066 -0.14516 -1.13470 -0.31144 2.50844 162 3PX 0.10199 0.45845 0.01310 0.28590 0.39481 163 3PY 0.13783 0.28352 0.45132 0.26331 -0.50066 164 3PZ -0.37386 -0.27370 -0.29481 -0.23724 -0.52221 165 4XX 0.16969 -0.02408 0.02070 -0.02795 -0.35093 166 4YY 0.02398 -0.00755 0.17660 0.02924 -0.34547 167 4ZZ -0.18459 0.07013 0.08343 0.08708 0.02101 168 4XY -0.06187 0.05497 -0.10311 0.04245 -0.03628 169 4XZ 0.04298 -0.02499 -0.15580 -0.04490 0.13246 170 4YZ -0.10337 0.01754 -0.29785 0.03474 -0.18461 171 21 C 1S -0.01051 -0.02737 0.00000 -0.02245 0.00000 172 2S -0.19037 -0.35423 0.00005 -0.27268 0.00002 173 2PX -0.00545 0.03567 -0.00001 0.02001 -0.00002 174 2PY 0.00001 -0.00008 0.11157 -0.00002 -0.10501 175 2PZ -0.03037 -0.03285 0.00003 -0.03927 0.00001 176 3S 0.72305 1.57238 -0.00037 1.25994 -0.00019 177 3PX 0.29710 0.24146 -0.00012 0.27733 -0.00005 178 3PY 0.00005 -0.00030 0.38353 -0.00011 -0.20254 179 3PZ 0.30811 0.08595 0.00005 0.16471 -0.00013 180 4XX 0.03057 -0.01193 -0.00002 0.00895 0.00001 181 4YY 0.05460 0.04021 -0.00009 0.01871 -0.00006 182 4ZZ -0.08914 -0.02025 0.00010 -0.01476 0.00003 183 4XY 0.00002 -0.00010 0.23536 0.00003 0.06821 184 4XZ 0.06496 -0.01299 0.00001 -0.01879 -0.00001 185 4YZ 0.00006 -0.00011 0.45726 0.00017 0.21577 186 22 H 1S -0.08110 -0.15987 0.00000 -0.15859 0.00003 187 2S -0.17382 -0.25741 0.00004 -0.22682 0.00007 188 23 H 1S 0.02378 -0.11259 0.00002 -0.07453 0.00000 189 2S 0.02664 -0.10820 0.00002 -0.02872 -0.00002 126 127 128 129 130 V V V V V Eigenvalues -- 1.58415 1.62899 1.64404 1.67981 1.73245 1 1 C 1S -0.00058 -0.02160 -0.02047 0.00959 -0.00547 2 2S 0.04611 -0.48671 -0.38922 0.08349 -0.06777 3 2PX -0.03388 -0.00539 0.01780 -0.04110 -0.06335 4 2PY 0.00401 -0.02633 -0.00996 0.02511 0.09797 5 2PZ -0.00599 0.11270 0.08269 -0.04935 0.11183 6 3S -0.10190 2.72274 2.46975 -0.22036 0.02432 7 3PX 0.00429 0.85686 0.57648 0.06375 -0.08469 8 3PY -0.06314 1.27736 0.54030 -0.09882 -0.34407 9 3PZ 0.21894 -1.93314 -1.67353 0.14695 0.17810 10 4XX 0.01872 -0.01242 -0.10250 0.12545 0.09064 11 4YY 0.03279 -0.00942 -0.01714 0.06431 -0.12718 12 4ZZ -0.05560 0.05236 0.12343 -0.19001 0.04829 13 4XY 0.03336 0.07337 0.08487 0.01839 0.08629 14 4XZ -0.10109 0.14822 0.17413 -0.11092 -0.20227 15 4YZ -0.02198 -0.03324 -0.02884 0.09145 0.02984 16 2 C 1S -0.05602 -0.00149 0.03656 0.02155 -0.01406 17 2S -0.71966 0.05978 0.54477 0.14563 -0.12222 18 2PX 0.06382 0.06373 -0.03481 -0.07050 0.00262 19 2PY 0.01486 0.02047 -0.01491 -0.02117 -0.09575 20 2PZ 0.08759 -0.10286 -0.06336 0.00057 -0.03763 21 3S 2.37143 -1.38564 -3.02860 -0.58472 0.45511 22 3PX -0.06872 -0.14255 0.02333 -0.08791 0.07125 23 3PY -0.03069 -1.04038 -0.96456 0.45663 0.74354 24 3PZ -0.79567 -0.09259 0.02258 0.20422 -0.02651 25 4XX 0.09332 0.13613 0.09548 0.02998 0.01170 26 4YY -0.07406 -0.01160 0.06443 -0.09219 0.01311 27 4ZZ -0.07256 -0.14082 -0.16991 0.09678 -0.03434 28 4XY 0.16168 -0.11939 -0.11181 0.02564 -0.08316 29 4XZ 0.06447 -0.16391 -0.22860 0.04364 0.05369 30 4YZ 0.11107 -0.04827 0.01799 -0.06227 0.16050 31 3 C 1S -0.05600 0.00147 -0.03658 0.02157 -0.01406 32 2S -0.71915 -0.05994 -0.54516 0.14590 -0.12228 33 2PX 0.06381 -0.06372 0.03484 -0.07051 0.00256 34 2PY -0.01495 0.02047 -0.01493 0.02118 0.09585 35 2PZ 0.08749 0.10289 0.06339 0.00054 -0.03758 36 3S 2.36811 1.38611 3.02973 -0.58618 0.45453 37 3PX -0.06899 0.14293 -0.02340 -0.08787 0.07120 38 3PY 0.03278 -1.04051 -0.96446 -0.45631 -0.74356 39 3PZ -0.79619 0.09207 -0.02319 0.20410 -0.02647 40 4XX 0.09350 -0.13608 -0.09534 0.03001 0.01167 41 4YY -0.07411 0.01157 -0.06456 -0.09215 0.01323 42 4ZZ -0.07272 0.14077 0.16992 0.09674 -0.03444 43 4XY -0.16162 -0.11954 -0.11197 -0.02552 0.08326 44 4XZ 0.06425 0.16392 0.22870 0.04358 0.05367 45 4YZ -0.11105 -0.04834 0.01792 0.06228 -0.16046 46 4 C 1S -0.00061 0.02159 0.02047 0.00958 -0.00547 47 2S 0.04539 0.48673 0.38920 0.08343 -0.06795 48 2PX -0.03390 0.00536 -0.01784 -0.04111 -0.06331 49 2PY -0.00405 -0.02632 -0.00994 -0.02510 -0.09798 50 2PZ -0.00587 -0.11272 -0.08268 -0.04935 0.11185 51 3S -0.09736 -2.72261 -2.46979 -0.21955 0.02490 52 3PX 0.00538 -0.85711 -0.57644 0.06405 -0.08469 53 3PY 0.06180 1.27691 0.53977 0.09871 0.34370 54 3PZ 0.21627 1.93348 1.67368 0.14622 0.17794 55 4XX 0.01871 0.01242 0.10256 0.12538 0.09064 56 4YY 0.03276 0.00945 0.01719 0.06434 -0.12721 57 4ZZ -0.05556 -0.05240 -0.12353 -0.18998 0.04832 58 4XY -0.03343 0.07335 0.08497 -0.01836 -0.08625 59 4XZ -0.10101 -0.14827 -0.17428 -0.11085 -0.20221 60 4YZ 0.02199 -0.03331 -0.02884 -0.09138 -0.02991 61 5 H 1S -0.07000 0.32719 0.15578 0.06285 -0.20920 62 2S -0.06514 0.66256 0.41820 -0.04256 -0.09363 63 6 H 1S -0.06970 -0.32724 -0.15578 0.06292 -0.20917 64 2S -0.06443 -0.66260 -0.41817 -0.04235 -0.09356 65 7 C 1S 0.04067 0.00844 -0.02732 0.00905 0.01832 66 2S 0.52730 0.22200 -0.21619 -0.04825 0.22436 67 2PX 0.01808 0.09469 -0.05088 -0.00757 0.06140 68 2PY -0.07981 -0.01181 0.09694 -0.05756 0.08124 69 2PZ 0.01395 0.10761 0.02672 -0.00423 0.04734 70 3S -2.00486 -0.73855 0.53983 -0.27010 -0.77329 71 3PX 0.05172 -0.04219 0.48851 -0.07996 0.16839 72 3PY 0.96007 -0.15194 -0.97574 0.43174 0.08430 73 3PZ -0.23792 -0.08451 -0.66875 0.34559 -0.28493 74 4XX -0.07806 0.23519 -0.16370 0.13946 0.05904 75 4YY 0.00156 0.01016 0.00343 -0.02875 -0.03146 76 4ZZ 0.10225 -0.25182 0.09964 -0.07170 0.01781 77 4XY 0.10242 -0.03034 0.07168 -0.24332 -0.13857 78 4XZ 0.07975 0.00449 -0.10568 0.15825 0.14887 79 4YZ 0.10901 0.08457 -0.11823 -0.13202 -0.05637 80 8 C 1S 0.04066 -0.00844 0.02737 0.00904 0.01834 81 2S 0.52710 -0.22196 0.21667 -0.04819 0.22467 82 2PX 0.01802 -0.09473 0.05089 -0.00758 0.06147 83 2PY 0.07981 -0.01178 0.09697 0.05755 -0.08124 84 2PZ 0.01404 -0.10762 -0.02670 -0.00420 0.04733 85 3S -2.00393 0.73827 -0.54169 -0.27087 -0.77476 86 3PX 0.05206 0.04223 -0.48842 -0.07938 0.16824 87 3PY -0.95998 -0.15208 -0.97675 -0.43108 -0.08349 88 3PZ -0.23880 0.08443 0.66836 0.34488 -0.28508 89 4XX -0.07811 -0.23524 0.16378 0.13935 0.05903 90 4YY 0.00161 -0.01021 -0.00342 -0.02882 -0.03150 91 4ZZ 0.10222 0.25194 -0.09966 -0.07155 0.01784 92 4XY -0.10244 -0.03042 0.07175 0.24322 0.13851 93 4XZ 0.07965 -0.00448 0.10592 0.15828 0.14887 94 4YZ -0.10894 0.08451 -0.11829 0.13207 0.05632 95 9 H 1S -0.29125 0.08849 -0.05413 0.24701 0.06015 96 2S -0.27530 0.25820 0.03601 0.25996 0.32708 97 10 H 1S -0.29113 -0.08854 0.05400 0.24697 0.06010 98 2S -0.27498 -0.25818 -0.03613 0.25997 0.32697 99 11 C 1S 0.02932 -0.01379 0.03129 -0.01084 0.01261 100 2S 0.34048 -0.17096 0.39399 -0.13458 0.14388 101 2PX 0.06270 -0.00321 0.01370 -0.00120 -0.05941 102 2PY -0.00889 0.01625 0.02864 -0.06728 0.04611 103 2PZ -0.01440 -0.08036 -0.02476 0.02397 0.07937 104 3S -1.52434 -0.04309 -2.13534 0.56154 -0.49427 105 3PX 0.34000 0.52592 0.51540 -0.03117 0.18366 106 3PY -0.44525 0.04215 0.31608 0.34549 -0.00089 107 3PZ -0.20576 0.32619 -0.07639 0.02781 -0.27853 108 4XX -0.11342 -0.01157 0.02937 -0.00060 -0.07460 109 4YY 0.00918 -0.01784 -0.01852 -0.03731 0.19548 110 4ZZ 0.14078 0.01802 -0.00710 0.02360 -0.11003 111 4XY 0.23733 0.01249 0.01328 -0.14300 -0.13309 112 4XZ -0.04411 0.03698 0.03750 0.11655 0.20808 113 4YZ 0.02304 -0.05952 -0.10125 0.19881 0.05972 114 12 H 1S 0.14520 0.03895 0.18410 -0.00297 0.05805 115 2S 0.06350 0.12581 0.15300 -0.12014 -0.08453 116 13 H 1S 0.06029 -0.18496 0.02863 -0.06301 0.06065 117 2S 0.16028 -0.21076 0.03003 -0.07899 0.02385 118 14 C 1S 0.02933 0.01380 -0.03128 -0.01083 0.01267 119 2S 0.34065 0.17109 -0.39387 -0.13448 0.14458 120 2PX 0.06273 0.00323 -0.01371 -0.00118 -0.05947 121 2PY 0.00888 0.01625 0.02863 0.06727 -0.04616 122 2PZ -0.01447 0.08037 0.02481 0.02397 0.07937 123 3S -1.52606 0.04253 2.13488 0.56077 -0.49674 124 3PX 0.34036 -0.52580 -0.51534 -0.03101 0.18399 125 3PY 0.44490 0.04220 0.31607 -0.34552 0.00052 126 3PZ -0.20574 -0.32632 0.07631 0.02756 -0.27856 127 4XX -0.11329 0.01155 -0.02947 -0.00065 -0.07469 128 4YY 0.00906 0.01787 0.01860 -0.03719 0.19554 129 4ZZ 0.14077 -0.01801 0.00713 0.02353 -0.10998 130 4XY -0.23741 0.01242 0.01324 0.14301 0.13294 131 4XZ -0.04409 -0.03698 -0.03742 0.11665 0.20809 132 4YZ -0.02301 -0.05950 -0.10132 -0.19878 -0.05957 133 15 H 1S 0.14528 -0.03892 -0.18401 -0.00294 0.05825 134 2S 0.06364 -0.12580 -0.15309 -0.12009 -0.08433 135 16 H 1S 0.06023 0.18497 -0.02858 -0.06297 0.06082 136 2S 0.16023 0.21082 -0.02997 -0.07892 0.02394 137 17 H 1S 0.27270 -0.11772 0.34750 0.22644 0.09200 138 2S 0.37636 0.01287 0.64730 0.30337 0.03795 139 18 H 1S 0.27294 0.11775 -0.34721 0.22661 0.09198 140 2S 0.37680 -0.01282 -0.64693 0.30371 0.03801 141 19 O 1S 0.00413 0.00370 -0.00931 0.04056 -0.04800 142 2S 0.02547 0.00660 -0.04985 0.59341 -0.58831 143 2PX -0.15434 0.00054 0.04808 -0.00241 0.00417 144 2PY 0.13990 -0.03825 0.00208 0.14686 -0.00914 145 2PZ 0.16762 0.06127 -0.08882 0.04750 0.02378 146 3S -0.08037 -0.02860 0.34999 -1.93926 2.11678 147 3PX 0.89349 0.17058 -0.36351 0.33565 0.07051 148 3PY -0.64911 -0.01026 0.26575 -0.87782 0.54084 149 3PZ -0.67215 -0.07626 0.31462 -0.34428 -0.17281 150 4XX 0.02993 -0.25989 0.26321 0.16589 -0.14369 151 4YY -0.05160 0.08051 -0.18188 0.18386 -0.29644 152 4ZZ 0.04483 0.18957 -0.14440 0.09037 0.02488 153 4XY -0.03614 -0.10592 0.01060 -0.15155 -0.00929 154 4XZ 0.02912 -0.04040 -0.00409 -0.08159 0.22994 155 4YZ 0.07748 -0.23884 0.04706 -0.04694 0.02473 156 20 O 1S 0.00413 -0.00370 0.00931 0.04054 -0.04800 157 2S 0.02554 -0.00673 0.04997 0.59310 -0.58828 158 2PX -0.15425 -0.00059 -0.04815 -0.00243 0.00417 159 2PY -0.13998 -0.03824 0.00189 -0.14686 0.00915 160 2PZ 0.16757 -0.06126 0.08895 0.04742 0.02379 161 3S -0.08019 0.02897 -0.35016 -1.93812 2.11680 162 3PX 0.89316 -0.17046 0.36425 0.33565 0.07055 163 3PY 0.64923 -0.01031 0.26647 0.87760 -0.54092 164 3PZ -0.67185 0.07620 -0.31522 -0.34401 -0.17290 165 4XX 0.03003 0.25989 -0.26320 0.16595 -0.14366 166 4YY -0.05160 -0.08049 0.18183 0.18367 -0.29645 167 4ZZ 0.04476 -0.18968 0.14454 0.09028 0.02485 168 4XY 0.03610 -0.10594 0.01069 0.15154 0.00922 169 4XZ 0.02905 0.04046 0.00412 -0.08151 0.22994 170 4YZ -0.07754 -0.23885 0.04706 0.04687 -0.02476 171 21 C 1S -0.04643 0.00000 -0.00002 -0.03928 0.02829 172 2S -0.53519 0.00003 -0.00026 -0.51797 0.45818 173 2PX 0.09176 0.00000 0.00005 0.11900 -0.03049 174 2PY -0.00003 -0.04573 0.14164 -0.00006 0.00001 175 2PZ -0.04877 0.00001 -0.00002 -0.08686 0.00221 176 3S 2.74958 -0.00006 0.00127 2.87756 -1.93152 177 3PX 0.45508 -0.00004 0.00021 0.75716 -0.55798 178 3PY -0.00015 -0.22018 0.48688 -0.00015 -0.00007 179 3PZ 0.07289 -0.00007 0.00019 0.25077 0.35554 180 4XX -0.01598 0.00001 -0.00005 -0.07964 -0.06672 181 4YY 0.11190 -0.00004 0.00007 0.20621 -0.07572 182 4ZZ -0.05339 0.00003 0.00000 -0.10379 0.13784 183 4XY -0.00005 -0.02152 0.16955 -0.00006 -0.00007 184 4XZ 0.07370 0.00000 0.00007 -0.02844 0.16610 185 4YZ 0.00007 0.10862 0.09325 0.00002 -0.00006 186 22 H 1S -0.25238 -0.00001 -0.00013 -0.26942 0.06821 187 2S -0.34881 0.00004 -0.00022 -0.45998 0.09339 188 23 H 1S -0.23820 -0.00002 -0.00009 -0.08402 0.08225 189 2S -0.20620 -0.00002 -0.00006 -0.06597 0.19708 131 132 133 134 135 V V V V V Eigenvalues -- 1.74685 1.75979 1.79218 1.85799 1.87087 1 1 C 1S -0.01711 -0.00410 0.00506 -0.01771 0.01321 2 2S -0.11579 -0.13926 0.03848 -0.01754 0.13362 3 2PX -0.01687 0.00716 -0.06274 0.04293 0.03978 4 2PY 0.02506 -0.09388 0.10509 0.10322 0.00099 5 2PZ -0.05633 0.04235 0.09041 -0.05767 -0.08593 6 3S 1.47983 0.04821 -0.30047 1.31352 -0.41036 7 3PX 0.20231 -0.11749 -0.17580 0.30580 0.02983 8 3PY -0.12573 0.01366 -0.40587 0.53379 0.15348 9 3PZ -0.93764 0.13479 0.47315 -0.65208 0.07514 10 4XX 0.06264 -0.10232 0.04178 -0.07358 0.26295 11 4YY 0.01060 0.14249 -0.04183 0.13179 -0.03430 12 4ZZ -0.05555 -0.03614 0.03456 -0.02405 -0.16867 13 4XY -0.04600 0.02457 0.16096 0.02947 -0.04688 14 4XZ -0.01727 -0.00696 -0.18050 0.11422 0.19666 15 4YZ 0.00317 -0.15730 -0.05028 0.03162 0.03469 16 2 C 1S 0.02758 -0.00160 -0.00855 0.00400 0.00632 17 2S 0.50691 -0.31144 -0.28783 -0.12719 0.07765 18 2PX 0.02865 -0.12852 0.01924 0.03713 0.05609 19 2PY 0.13574 -0.10985 -0.10714 -0.05727 0.05498 20 2PZ -0.13705 0.19055 0.03783 0.05339 0.03730 21 3S -0.90766 0.57751 0.84752 -0.51207 -0.12350 22 3PX 0.59686 0.21070 0.13620 -0.30356 -0.29133 23 3PY -0.60242 0.50021 1.03591 -0.60044 0.09743 24 3PZ -0.75405 -0.27233 0.06194 -0.55137 0.11902 25 4XX 0.08679 -0.01746 0.03361 -0.31122 0.15387 26 4YY 0.02224 0.01369 0.03353 0.12853 -0.11014 27 4ZZ -0.06475 0.02210 -0.02838 0.18705 0.02742 28 4XY 0.10261 0.19857 0.01987 -0.11425 -0.17319 29 4XZ 0.03292 -0.10306 0.05333 -0.12180 0.16781 30 4YZ -0.05009 -0.17127 0.10774 -0.39385 -0.14896 31 3 C 1S -0.02760 -0.00161 -0.00857 -0.00400 0.00634 32 2S -0.50688 -0.31140 -0.28812 0.12710 0.07796 33 2PX -0.02872 -0.12855 0.01925 -0.03718 0.05604 34 2PY 0.13559 0.10978 0.10718 -0.05721 -0.05506 35 2PZ 0.13709 0.19058 0.03792 -0.05341 0.03726 36 3S 0.90755 0.57737 0.84810 0.51205 -0.12426 37 3PX -0.59698 0.21086 0.13607 0.30394 -0.29125 38 3PY -0.60157 -0.50006 -1.03606 -0.60042 -0.09766 39 3PZ 0.75379 -0.27268 0.06203 0.55109 0.11948 40 4XX -0.08697 -0.01743 0.03351 0.31112 0.15397 41 4YY -0.02216 0.01356 0.03355 -0.12833 -0.11032 42 4ZZ 0.06480 0.02219 -0.02833 -0.18719 0.02748 43 4XY 0.10251 -0.19852 -0.01983 -0.11429 0.17317 44 4XZ -0.03298 -0.10314 0.05331 0.12168 0.16784 45 4YZ -0.05000 0.17129 -0.10767 -0.39390 0.14870 46 4 C 1S 0.01711 -0.00411 0.00507 0.01770 0.01322 47 2S 0.11567 -0.13933 0.03856 0.01735 0.13353 48 2PX 0.01691 0.00713 -0.06270 -0.04298 0.03974 49 2PY 0.02518 0.09387 -0.10514 0.10321 -0.00096 50 2PZ 0.05631 0.04239 0.09041 0.05779 -0.08586 51 3S -1.47962 0.04864 -0.30114 -1.31304 -0.41064 52 3PX -0.20206 -0.11743 -0.17593 -0.30593 0.02983 53 3PY -0.12647 -0.01373 0.40555 0.53374 -0.15327 54 3PZ 0.93721 0.13457 0.47366 0.65213 0.07523 55 4XX -0.06273 -0.10230 0.04181 0.07334 0.26302 56 4YY -0.01051 0.14242 -0.04189 -0.13173 -0.03435 57 4ZZ 0.05553 -0.03610 0.03459 0.02419 -0.16873 58 4XY -0.04586 -0.02461 -0.16092 0.02952 0.04692 59 4XZ 0.01731 -0.00700 -0.18054 -0.11444 0.19654 60 4YZ 0.00322 0.15734 0.05022 0.03159 -0.03466 61 5 H 1S 0.04282 -0.12970 -0.27896 0.15668 0.20264 62 2S 0.15365 -0.03029 -0.18362 0.22005 0.02950 63 6 H 1S -0.04265 -0.12969 -0.27894 -0.15687 0.20259 64 2S -0.15345 -0.03025 -0.18366 -0.22010 0.02941 65 7 C 1S -0.03853 0.00796 0.00716 0.00382 0.01153 66 2S -0.55593 0.11253 0.08809 -0.02307 0.31145 67 2PX -0.15482 0.00022 -0.10885 -0.03035 -0.05040 68 2PY 0.04910 0.05799 0.01457 0.00056 -0.03026 69 2PZ 0.05748 0.03556 -0.01148 0.02128 0.14158 70 3S 1.88085 -0.21851 0.24295 -0.10253 -0.43637 71 3PX 1.14372 0.09515 -0.03530 0.33226 0.02907 72 3PY 0.39758 -0.13693 -0.37004 0.07275 0.07397 73 3PZ -0.78096 -0.28066 -0.07517 -0.45487 -0.11399 74 4XX -0.01411 -0.04515 -0.14406 -0.00166 -0.14895 75 4YY 0.00745 0.00739 0.06345 0.00627 0.10874 76 4ZZ -0.01677 0.04901 0.06602 0.00310 -0.00807 77 4XY -0.03411 0.02102 0.21691 -0.02319 0.11781 78 4XZ 0.01698 -0.00117 -0.15226 0.01280 0.13628 79 4YZ -0.13585 0.00436 -0.00232 -0.03483 -0.18367 80 8 C 1S 0.03854 0.00795 0.00717 -0.00382 0.01154 81 2S 0.55607 0.11244 0.08811 0.02300 0.31138 82 2PX 0.15491 0.00020 -0.10882 0.03034 -0.05036 83 2PY 0.04914 -0.05799 -0.01454 0.00053 0.03019 84 2PZ -0.05752 0.03555 -0.01152 -0.02133 0.14153 85 3S -1.88123 -0.21814 0.24315 0.10270 -0.43612 86 3PX -1.14399 0.09522 -0.03598 -0.33229 0.02866 87 3PY 0.39713 0.13684 0.36984 0.07273 -0.07395 88 3PZ 0.78123 -0.28075 -0.07446 0.45500 -0.11320 89 4XX 0.01416 -0.04516 -0.14399 0.00175 -0.14886 90 4YY -0.00743 0.00739 0.06345 -0.00633 0.10864 91 4ZZ 0.01670 0.04899 0.06599 -0.00308 -0.00803 92 4XY -0.03403 -0.02100 -0.21688 -0.02317 -0.11788 93 4XZ -0.01698 -0.00118 -0.15228 -0.01283 0.13633 94 4YZ -0.13598 -0.00436 0.00224 -0.03486 0.18366 95 9 H 1S 0.07118 0.01548 0.13121 0.16106 0.12836 96 2S 0.11371 0.14254 0.29880 0.17097 0.05973 97 10 H 1S -0.07145 0.01549 0.13121 -0.16113 0.12811 98 2S -0.11420 0.14252 0.29884 -0.17103 0.05962 99 11 C 1S -0.11687 0.00449 0.00948 -0.01410 -0.01523 100 2S -1.49990 0.23622 0.15265 0.09646 -0.08491 101 2PX 0.18790 0.05691 -0.02573 0.01530 0.03134 102 2PY -0.04724 -0.24755 -0.02932 -0.01917 -0.01984 103 2PZ -0.03912 -0.05331 0.02550 0.13114 0.00300 104 3S 4.81175 -0.54633 -0.55241 -0.18683 0.43946 105 3PX -0.56797 0.09785 0.19401 -0.70991 0.01518 106 3PY -0.93660 0.26714 0.12923 0.18637 0.18118 107 3PZ 0.05086 -0.07235 -0.26663 -1.21686 0.09470 108 4XX 0.06490 0.10238 -0.01097 -0.15454 0.13303 109 4YY 0.02951 -0.29924 0.10353 0.04361 -0.12673 110 4ZZ -0.14963 0.17276 -0.09491 0.09052 0.02244 111 4XY -0.12602 -0.23915 -0.20374 0.07292 0.09515 112 4XZ 0.12823 -0.01820 0.20953 0.25918 0.14068 113 4YZ 0.01827 0.27383 0.09726 0.24781 0.00539 114 12 H 1S -0.40393 0.03247 0.01257 -0.32225 -0.07181 115 2S -0.36243 0.01725 -0.01067 -0.39736 -0.00924 116 13 H 1S -0.40031 0.02252 0.03398 0.16981 -0.21889 117 2S -0.15290 0.02425 0.01203 0.34451 -0.01573 118 14 C 1S 0.11686 0.00448 0.00952 0.01411 -0.01519 119 2S 1.49966 0.23606 0.15324 -0.09647 -0.08456 120 2PX -0.18779 0.05687 -0.02581 -0.01529 0.03130 121 2PY -0.04732 0.24759 0.02929 -0.01917 0.01979 122 2PZ 0.03909 -0.05325 0.02556 -0.13113 0.00291 123 3S -4.81124 -0.54574 -0.55422 0.18657 0.43790 124 3PX 0.56785 0.09768 0.19410 0.70977 0.01583 125 3PY -0.93626 -0.26706 -0.12947 0.18646 -0.18125 126 3PZ -0.05082 -0.07255 -0.26695 1.21687 0.09529 127 4XX -0.06482 0.10223 -0.01116 0.15443 0.13311 128 4YY -0.02966 -0.29905 0.10364 -0.04354 -0.12682 129 4ZZ 0.14967 0.17271 -0.09482 -0.09051 0.02247 130 4XY -0.12613 0.23925 0.20357 0.07316 -0.09521 131 4XZ -0.12847 -0.01808 0.20956 -0.25929 0.14044 132 4YZ 0.01821 -0.27397 -0.09721 0.24764 -0.00520 133 15 H 1S 0.40396 0.03239 0.01266 0.32236 -0.07152 134 2S 0.36240 0.01711 -0.01067 0.39735 -0.00886 135 16 H 1S 0.40033 0.02252 0.03418 -0.16964 -0.21887 136 2S 0.15298 0.02429 0.01217 -0.34448 -0.01585 137 17 H 1S 0.25697 -0.02468 -0.12271 0.04776 0.19761 138 2S 0.50241 -0.15870 -0.11313 0.14894 -0.00205 139 18 H 1S -0.25695 -0.02465 -0.12286 -0.04780 0.19744 140 2S -0.50220 -0.15863 -0.11343 -0.14892 -0.00229 141 19 O 1S -0.01115 -0.02495 0.02559 -0.00807 -0.00433 142 2S -0.20868 -0.36544 0.30791 -0.10247 -0.00576 143 2PX -0.00671 -0.02729 -0.04504 0.00523 -0.02903 144 2PY 0.02176 -0.02699 -0.05007 0.00544 0.03782 145 2PZ 0.01764 -0.01432 -0.04656 0.00652 -0.04526 146 3S 0.73804 1.22277 -1.16993 0.46621 0.14146 147 3PX 0.06997 0.01711 -0.01325 0.09010 0.00339 148 3PY 0.01169 0.38215 -0.16743 0.03763 0.01398 149 3PZ -0.10664 0.05582 0.26236 -0.08071 0.13636 150 4XX -0.02137 -0.07615 0.07612 -0.00466 -0.12412 151 4YY -0.09764 -0.13757 0.23717 -0.04823 -0.00360 152 4ZZ -0.01852 -0.03022 -0.11712 -0.01204 0.13913 153 4XY -0.04186 0.04062 0.16064 0.00211 0.08484 154 4XZ 0.01872 0.11764 -0.15195 0.01494 0.07318 155 4YZ 0.04697 0.02187 0.05544 0.01832 0.08335 156 20 O 1S 0.01116 -0.02495 0.02561 0.00808 -0.00433 157 2S 0.20890 -0.36544 0.30819 0.10260 -0.00550 158 2PX 0.00674 -0.02730 -0.04499 -0.00523 -0.02902 159 2PY 0.02171 0.02700 0.05006 0.00544 -0.03790 160 2PZ -0.01761 -0.01431 -0.04656 -0.00649 -0.04525 161 3S -0.73868 1.22272 -1.17083 -0.46668 0.14073 162 3PX -0.06990 0.01719 -0.01344 -0.09007 0.00321 163 3PY 0.01199 -0.38213 0.16755 0.03776 -0.01386 164 3PZ 0.10648 0.05571 0.26247 0.08066 0.13639 165 4XX 0.02147 -0.07616 0.07611 0.00472 -0.12410 166 4YY 0.09766 -0.13755 0.23732 0.04827 -0.00361 167 4ZZ 0.01855 -0.03022 -0.11709 0.01200 0.13920 168 4XY -0.04179 -0.04065 -0.16061 0.00212 -0.08486 169 4XZ -0.01876 0.11765 -0.15204 -0.01500 0.07309 170 4YZ 0.04699 -0.02187 -0.05531 0.01835 -0.08332 171 21 C 1S 0.00000 0.01562 -0.03392 0.00000 -0.01130 172 2S -0.00003 0.25368 -0.49532 -0.00004 -0.05510 173 2PX 0.00004 -0.02391 -0.06422 0.00002 -0.05198 174 2PY 0.04439 0.00001 0.00002 0.01418 0.00004 175 2PZ -0.00002 0.03625 0.02641 0.00000 -0.00653 176 3S 0.00035 -1.19819 1.45601 0.00025 0.12062 177 3PX 0.00008 -0.39440 0.40054 0.00007 -0.05711 178 3PY 0.05367 0.00002 0.00011 0.01809 -0.00001 179 3PZ 0.00013 -0.03158 -0.66756 0.00001 -0.36354 180 4XX -0.00006 0.01834 0.27112 -0.00004 0.31732 181 4YY 0.00009 -0.10140 -0.13623 0.00007 -0.36026 182 4ZZ -0.00002 0.06957 -0.12655 -0.00003 0.06394 183 4XY -0.02586 0.00000 0.00005 -0.00475 -0.00005 184 4XZ 0.00003 0.03446 -0.14763 -0.00001 0.01346 185 4YZ -0.01356 -0.00002 0.00001 -0.03401 -0.00001 186 22 H 1S -0.00003 0.08494 0.03392 -0.00001 0.02123 187 2S -0.00010 0.15236 0.08421 -0.00003 0.12558 188 23 H 1S 0.00002 0.03149 -0.22495 0.00002 -0.27388 189 2S 0.00001 0.02035 -0.23187 -0.00002 -0.06006 136 137 138 139 140 V V V V V Eigenvalues -- 1.89384 1.89863 1.94416 1.96129 1.96314 1 1 C 1S 0.00165 -0.00993 0.00565 0.00070 -0.00325 2 2S -0.05087 -0.28353 -0.13731 0.03650 -0.01365 3 2PX -0.01320 0.01651 0.02075 -0.00786 -0.03709 4 2PY 0.06274 -0.08974 -0.09771 0.19502 -0.05739 5 2PZ 0.03495 0.03367 -0.00283 0.02765 0.00990 6 3S 0.19917 0.52817 0.03997 -0.06029 0.21570 7 3PX 0.09115 0.09349 -0.01449 0.20079 0.02496 8 3PY -0.13250 0.10905 0.09091 -0.47224 0.01552 9 3PZ -0.14813 -0.28821 0.10587 -0.43179 -0.00184 10 4XX 0.04518 -0.21402 0.06213 0.09635 -0.03097 11 4YY -0.00517 0.18708 0.21746 0.04612 0.08752 12 4ZZ -0.05697 -0.05031 -0.26790 -0.16840 -0.06784 13 4XY -0.04524 -0.09931 -0.00856 -0.04612 0.10064 14 4XZ -0.04300 -0.11145 0.00057 0.01521 -0.01818 15 4YZ 0.05743 0.08712 -0.07449 0.17620 -0.17969 16 2 C 1S 0.00689 0.00069 -0.00369 0.03407 0.00103 17 2S 0.12274 -0.05057 -0.03611 0.51702 0.26622 18 2PX 0.02197 -0.00849 0.01687 -0.02770 0.01678 19 2PY 0.07396 0.02277 0.07919 0.13156 0.09222 20 2PZ 0.01191 -0.03465 0.09705 -0.04055 0.05915 21 3S -0.37333 -0.19434 0.29630 -1.65217 -0.42678 22 3PX -0.07930 0.02866 -0.11726 0.03664 -0.05223 23 3PY -0.10679 -0.38727 0.24231 0.20773 -0.16686 24 3PZ -0.15730 -0.23000 -0.29334 0.07678 -0.09668 25 4XX -0.01880 -0.15283 0.04389 0.08355 -0.01363 26 4YY -0.14073 -0.01446 -0.08316 -0.40756 0.04767 27 4ZZ 0.14450 0.12006 0.10768 0.26809 -0.00719 28 4XY -0.05834 0.00345 -0.18596 -0.09318 -0.06560 29 4XZ 0.02684 -0.17936 0.06301 -0.07110 0.10250 30 4YZ 0.01864 -0.02799 -0.23081 -0.09983 -0.08693 31 3 C 1S -0.00689 0.00067 -0.00365 -0.03408 0.00094 32 2S -0.12283 -0.05077 -0.03546 -0.51770 0.26493 33 2PX -0.02198 -0.00840 0.01679 0.02762 0.01689 34 2PY 0.07392 -0.02281 -0.07930 0.13166 -0.09190 35 2PZ -0.01195 -0.03462 0.09700 0.04058 0.05920 36 3S 0.37322 -0.19366 0.29433 1.65376 -0.42269 37 3PX 0.07927 0.02833 -0.11693 -0.03667 -0.05246 38 3PY -0.10637 0.38726 -0.24221 0.20718 0.16752 39 3PZ 0.15719 -0.23033 -0.29329 -0.07685 -0.09675 40 4XX 0.01869 -0.15291 0.04383 -0.08335 -0.01392 41 4YY 0.14062 -0.01454 -0.08343 0.40736 0.04873 42 4ZZ -0.14433 0.12024 0.10792 -0.26810 -0.00784 43 4XY -0.05836 -0.00328 0.18590 -0.09335 0.06537 44 4XZ -0.02702 -0.17927 0.06284 0.07091 0.10269 45 4YZ 0.01873 0.02802 0.23079 -0.09966 0.08666 46 4 C 1S -0.00166 -0.00993 0.00565 -0.00068 -0.00325 47 2S 0.05063 -0.28357 -0.13727 -0.03653 -0.01383 48 2PX 0.01321 0.01649 0.02073 0.00795 -0.03711 49 2PY 0.06284 0.08969 0.09758 0.19495 0.05789 50 2PZ -0.03492 0.03370 -0.00280 -0.02765 0.00989 51 3S -0.19887 0.52828 0.04016 0.05972 0.21615 52 3PX -0.09100 0.09357 -0.01437 -0.20081 0.02457 53 3PY -0.13277 -0.10898 -0.09049 -0.47240 -0.01691 54 3PZ 0.14781 -0.28828 0.10551 0.43188 -0.00097 55 4XX -0.04536 -0.21404 0.06220 -0.09607 -0.03121 56 4YY 0.00532 0.18717 0.21746 -0.04627 0.08727 57 4ZZ 0.05693 -0.05040 -0.26800 0.16835 -0.06731 58 4XY -0.04514 0.09930 0.00851 -0.04589 -0.10076 59 4XZ 0.04293 -0.11139 0.00049 -0.01514 -0.01830 60 4YZ 0.05728 -0.08711 0.07446 0.17586 0.18020 61 5 H 1S 0.04360 0.07883 0.02851 0.20809 -0.13253 62 2S -0.01303 0.02463 -0.03720 0.00002 0.01453 63 6 H 1S -0.04342 0.07889 0.02860 -0.20776 -0.13305 64 2S 0.01308 0.02464 -0.03724 -0.00012 0.01462 65 7 C 1S 0.00194 0.00904 -0.00040 -0.01890 -0.00039 66 2S 0.06781 -0.02341 0.08914 -0.27967 0.05701 67 2PX 0.02188 -0.09242 0.06308 -0.10910 0.04382 68 2PY 0.21513 0.01372 -0.01756 0.00028 0.14015 69 2PZ 0.00041 0.11514 -0.06965 -0.02116 0.00745 70 3S 0.34071 0.08685 -0.25595 0.78330 0.00441 71 3PX 0.11904 0.01305 0.01107 0.28543 -0.02409 72 3PY 0.57916 -0.03064 -0.00650 -0.25611 -0.18670 73 3PZ 0.38912 0.08161 -0.28941 0.08690 0.06562 74 4XX 0.01530 0.02777 -0.10356 0.00990 0.03504 75 4YY 0.05901 0.03367 0.07655 0.02825 -0.23776 76 4ZZ -0.08211 -0.03765 -0.01124 0.00513 0.24224 77 4XY 0.24186 0.13997 -0.06214 -0.11375 0.13576 78 4XZ 0.11532 0.08094 -0.17380 0.03558 -0.04638 79 4YZ -0.10748 -0.32044 0.29395 -0.03425 -0.11990 80 8 C 1S -0.00193 0.00906 -0.00043 0.01891 -0.00033 81 2S -0.06784 -0.02304 0.08846 0.27989 0.05776 82 2PX -0.02199 -0.09233 0.06286 0.10896 0.04412 83 2PY 0.21514 -0.01398 0.01756 0.00065 -0.14011 84 2PZ -0.00017 0.11517 -0.06970 0.02108 0.00746 85 3S -0.34063 0.08567 -0.25338 -0.78378 0.00201 86 3PX -0.11917 0.01351 0.01114 -0.28531 -0.02477 87 3PY 0.57917 0.03021 0.00634 -0.25651 0.18624 88 3PZ -0.38875 0.08137 -0.28873 -0.08752 0.06526 89 4XX -0.01527 0.02777 -0.10350 -0.01018 0.03506 90 4YY -0.05890 0.03357 0.07674 -0.02758 -0.23790 91 4ZZ 0.08197 -0.03762 -0.01133 -0.00566 0.24226 92 4XY 0.24163 -0.14031 0.06238 -0.11333 -0.13601 93 4XZ -0.11517 0.08101 -0.17363 -0.03555 -0.04652 94 4YZ -0.10698 0.32058 -0.29385 -0.03500 0.11966 95 9 H 1S -0.13172 -0.03214 0.14801 -0.55422 -0.00269 96 2S 0.04570 -0.15016 0.05681 -0.11562 -0.02114 97 10 H 1S 0.13170 -0.03215 0.14762 0.55430 -0.00124 98 2S -0.04590 -0.15009 0.05668 0.11568 -0.02080 99 11 C 1S 0.00283 0.02388 0.02059 -0.00049 -0.00896 100 2S -0.04902 -0.16048 -0.09715 0.02454 -0.04211 101 2PX 0.04460 0.03742 0.00143 0.02431 0.00024 102 2PY 0.02909 0.10551 0.08804 0.11234 0.03869 103 2PZ -0.01590 0.00918 0.00751 0.02548 0.02974 104 3S -0.04163 -0.15600 -0.25086 -0.14496 0.21386 105 3PX -0.31800 -0.04791 0.27349 -0.24366 0.00472 106 3PY -0.04650 -0.28950 -0.12846 -0.58865 -0.00684 107 3PZ -0.16318 0.12685 0.10536 -0.25040 0.03795 108 4XX -0.01826 -0.18403 -0.13974 -0.01146 0.01537 109 4YY -0.02099 0.29140 0.29814 -0.02027 0.00650 110 4ZZ 0.04927 -0.09704 -0.13185 0.05051 -0.02359 111 4XY 0.13285 0.06349 0.10141 0.23515 0.08986 112 4XZ -0.07612 -0.17957 0.04135 -0.11252 0.11832 113 4YZ -0.00144 0.14283 0.21580 -0.17688 -0.00964 114 12 H 1S -0.06486 0.23227 0.24538 -0.08345 -0.03542 115 2S -0.02728 0.02907 0.01318 0.05770 -0.00041 116 13 H 1S 0.07077 0.14643 -0.02372 0.07555 -0.11031 117 2S 0.11791 0.00944 -0.08315 0.23741 0.00304 118 14 C 1S -0.00281 0.02387 0.02059 0.00052 -0.00895 119 2S 0.04880 -0.16078 -0.09703 -0.02454 -0.04221 120 2PX -0.04454 0.03752 0.00145 -0.02432 0.00022 121 2PY 0.02897 -0.10550 -0.08813 0.11237 -0.03841 122 2PZ 0.01590 0.00917 0.00753 -0.02556 0.02964 123 3S 0.04163 -0.15499 -0.25136 0.14417 0.21408 124 3PX 0.31785 -0.04879 0.27351 0.24398 0.00530 125 3PY -0.04618 0.28957 0.12886 -0.58850 0.00532 126 3PZ 0.16332 0.12652 0.10525 0.25028 0.03859 127 4XX 0.01806 -0.18403 -0.13969 0.01122 0.01542 128 4YY 0.02130 0.29141 0.29816 0.02062 0.00649 129 4ZZ -0.04936 -0.09704 -0.13192 -0.05059 -0.02366 130 4XY 0.13278 -0.06370 -0.10170 0.23531 -0.08933 131 4XZ 0.07599 -0.17960 0.04138 0.11238 0.11853 132 4YZ -0.00153 -0.14290 -0.21552 -0.17696 0.00919 133 15 H 1S 0.06505 0.23204 0.24536 0.08369 -0.03518 134 2S 0.02733 0.02886 0.01327 -0.05768 -0.00056 135 16 H 1S -0.07065 0.14652 -0.02372 -0.07529 -0.11048 136 2S -0.11786 0.00961 -0.08299 -0.23745 0.00245 137 17 H 1S -0.30607 0.28889 -0.29191 0.17500 0.05344 138 2S -0.18570 -0.11155 0.03178 0.08589 -0.04347 139 18 H 1S 0.30660 0.28852 -0.29176 -0.17556 0.05305 140 2S 0.18561 -0.11164 0.03180 -0.08574 -0.04365 141 19 O 1S -0.01317 0.00778 -0.01629 0.01391 0.01131 142 2S 0.01161 0.00660 -0.19184 -0.01387 -0.00657 143 2PX 0.03047 -0.01864 -0.01159 0.07726 -0.05616 144 2PY 0.18858 -0.00403 -0.01980 -0.12006 -0.02899 145 2PZ 0.06695 0.03436 -0.05031 -0.06778 0.19149 146 3S 0.17774 -0.12088 0.70920 -0.23234 -0.20622 147 3PX -0.12983 -0.18157 0.17146 -0.19952 -0.04810 148 3PY -0.24998 0.00816 0.20189 0.15542 -0.02096 149 3PZ -0.13377 0.05687 0.06236 0.13254 -0.42171 150 4XX 0.14415 -0.04589 -0.00558 -0.04874 0.08434 151 4YY -0.43048 0.00365 -0.05042 0.20209 -0.01623 152 4ZZ 0.21881 0.07861 -0.07599 -0.09319 -0.04055 153 4XY -0.32679 0.04801 0.00946 0.02979 -0.05380 154 4XZ -0.18698 0.00877 0.01111 0.04238 0.07511 155 4YZ 0.00774 -0.00895 0.06356 0.00156 -0.37978 156 20 O 1S 0.01319 0.00774 -0.01626 -0.01395 0.01128 157 2S -0.01160 0.00639 -0.19164 0.01405 -0.00650 158 2PX -0.03052 -0.01867 -0.01141 -0.07710 -0.05640 159 2PY 0.18859 0.00376 0.01996 -0.12020 0.02863 160 2PZ -0.06687 0.03448 -0.05043 0.06717 0.19166 161 3S -0.17798 -0.11971 0.70809 0.23291 -0.20562 162 3PX 0.12955 -0.18136 0.17091 0.19988 -0.04745 163 3PY -0.24998 -0.00796 -0.20195 0.15541 0.02143 164 3PZ 0.13387 0.05651 0.06261 -0.13131 -0.42203 165 4XX -0.14426 -0.04577 -0.00557 0.04853 0.08443 166 4YY 0.43047 0.00298 -0.05005 -0.20201 -0.01685 167 4ZZ -0.21862 0.07892 -0.07617 0.09324 -0.04015 168 4XY -0.32694 -0.04765 -0.00945 0.02956 0.05376 169 4XZ 0.18690 0.00857 0.01113 -0.04248 0.07504 170 4YZ 0.00785 0.00892 -0.06356 0.00043 0.37981 171 21 C 1S 0.00000 -0.00266 0.01000 0.00000 -0.01280 172 2S 0.00003 0.03859 0.06302 0.00002 -0.03921 173 2PX -0.00003 -0.02464 -0.01165 -0.00006 0.06458 174 2PY 0.09366 -0.00003 -0.00007 0.08851 0.00014 175 2PZ 0.00000 0.01387 0.01098 -0.00011 0.09069 176 3S -0.00017 -0.16698 -0.44769 -0.00017 0.36488 177 3PX -0.00001 0.06074 -0.28208 -0.00058 0.37959 178 3PY 0.20594 -0.00011 0.00004 -0.06797 -0.00012 179 3PZ -0.00009 -0.11102 -0.10837 -0.00131 0.89924 180 4XX 0.00021 0.25382 -0.15204 0.00020 -0.17938 181 4YY -0.00020 -0.26739 0.14209 0.00006 -0.08486 182 4ZZ -0.00001 0.01532 -0.00094 -0.00030 0.29424 183 4XY 0.06654 -0.00006 0.00016 -0.18832 -0.00027 184 4XZ -0.00004 -0.10375 0.10397 0.00048 -0.29811 185 4YZ -0.03547 0.00000 0.00000 0.06411 0.00003 186 22 H 1S 0.00004 -0.00846 0.10187 0.00067 -0.54681 187 2S 0.00006 0.08915 0.07100 0.00034 -0.25222 188 23 H 1S -0.00009 -0.06180 0.01113 -0.00062 0.37890 189 2S 0.00002 0.03681 -0.07683 -0.00035 0.20254 141 142 143 144 145 V V V V V Eigenvalues -- 1.98887 2.01319 2.01546 2.02323 2.05929 1 1 C 1S -0.00521 -0.00915 0.01018 0.01047 0.00453 2 2S -0.16808 -0.05657 0.45309 0.05779 0.13660 3 2PX -0.02967 0.00716 0.03141 0.05749 0.02362 4 2PY 0.01963 -0.04988 0.08739 0.13763 0.01510 5 2PZ 0.06791 0.00339 -0.12945 -0.01385 -0.02529 6 3S 0.57505 0.51455 -1.60959 -0.50066 0.02046 7 3PX 0.16723 -0.06208 -0.23820 -0.05999 -0.04221 8 3PY 0.11748 -0.02225 -0.72149 -0.12865 -0.02166 9 3PZ -0.43409 -0.10735 0.72351 0.11201 0.06491 10 4XX 0.01748 -0.04539 0.01118 0.14846 0.13751 11 4YY -0.03048 0.03427 0.09974 -0.15864 -0.07030 12 4ZZ -0.00099 0.00281 -0.12516 0.04445 -0.03684 13 4XY -0.07738 0.07159 0.07119 -0.17757 0.00422 14 4XZ -0.00845 -0.01126 0.02992 0.10594 -0.00942 15 4YZ 0.00842 -0.22153 0.09675 0.31541 -0.15623 16 2 C 1S 0.00058 0.01472 0.00634 0.00009 0.00460 17 2S 0.18422 0.45969 -0.19233 -0.51419 0.22278 18 2PX 0.04830 -0.06363 -0.13150 0.00092 -0.08250 19 2PY 0.06258 0.08386 -0.04421 -0.17147 0.04155 20 2PZ -0.07033 0.05234 0.12479 -0.05491 0.09136 21 3S -0.44541 -1.02186 0.65350 0.77409 -0.39462 22 3PX -0.18215 0.21278 0.51795 0.00123 0.05767 23 3PY -0.10517 -0.39083 0.61677 0.63635 -0.20520 24 3PZ -0.04644 0.00655 -0.13097 0.17943 -0.02582 25 4XX -0.04960 0.01152 0.16386 0.04167 -0.02359 26 4YY -0.07480 0.08671 -0.13759 -0.07812 0.10056 27 4ZZ 0.09551 -0.10940 -0.00870 0.04587 -0.08271 28 4XY -0.17717 0.05867 0.26662 -0.04059 -0.03966 29 4XZ 0.08105 -0.05871 -0.16262 -0.13537 -0.05233 30 4YZ 0.01988 -0.03154 -0.12966 0.06051 -0.09190 31 3 C 1S -0.00060 0.01475 -0.00633 0.00008 0.00458 32 2S -0.18428 0.45931 0.19411 -0.51374 0.22251 33 2PX -0.04827 -0.06382 0.13144 0.00115 -0.08235 34 2PY 0.06252 -0.08384 -0.04469 0.17140 -0.04167 35 2PZ 0.07036 0.05258 -0.12460 -0.05514 0.09136 36 3S 0.44562 -1.02069 -0.65626 0.77249 -0.39354 37 3PX 0.18200 0.21362 -0.51790 0.00030 0.05719 38 3PY -0.10493 0.38943 0.61851 -0.63503 0.20504 39 3PZ 0.04630 0.00639 0.13085 0.17972 -0.02604 40 4XX 0.04967 0.01203 -0.16394 0.04128 -0.02342 41 4YY 0.07471 0.08623 0.13797 -0.07775 0.10044 42 4ZZ -0.09549 -0.10935 0.00836 0.04586 -0.08266 43 4XY -0.17718 -0.05914 0.26629 0.04116 0.03988 44 4XZ -0.08101 -0.05899 0.16296 -0.13507 -0.05206 45 4YZ 0.01988 0.03202 -0.12943 -0.06088 0.09218 46 4 C 1S 0.00521 -0.00914 -0.01021 0.01045 0.00452 47 2S 0.16811 -0.05552 -0.45327 0.05682 0.13671 48 2PX 0.02962 0.00723 -0.03155 0.05745 0.02366 49 2PY 0.01967 0.04962 0.08772 -0.13742 -0.01511 50 2PZ -0.06790 0.00306 0.12951 -0.01360 -0.02539 51 3S -0.57507 0.51104 1.61114 -0.49724 0.02016 52 3PX -0.16715 -0.06253 0.23834 -0.05953 -0.04221 53 3PY 0.11727 0.02380 -0.72162 0.12705 0.02154 54 3PZ 0.43409 -0.10596 -0.72396 0.11053 0.06499 55 4XX -0.01749 -0.04533 -0.01154 0.14835 0.13760 56 4YY 0.03047 0.03443 -0.09936 -0.15867 -0.07030 57 4ZZ 0.00100 0.00257 0.12508 0.04462 -0.03688 58 4XY -0.07742 -0.07174 0.07069 0.17774 -0.00410 59 4XZ 0.00839 -0.01110 -0.03009 0.10596 -0.00923 60 4YZ 0.00847 0.22132 0.09774 -0.31523 0.15627 61 5 H 1S 0.04981 -0.17262 0.03528 0.27102 -0.08788 62 2S 0.11073 -0.01360 -0.22739 -0.09456 0.00316 63 6 H 1S -0.04984 -0.17240 -0.03610 0.27093 -0.08775 64 2S -0.11067 -0.01405 0.22757 -0.09409 0.00317 65 7 C 1S 0.00014 -0.00263 0.00344 0.00581 0.00036 66 2S -0.11740 0.10907 -0.20830 0.31592 0.13522 67 2PX 0.05794 -0.21833 0.00437 -0.01620 0.01604 68 2PY -0.07313 -0.00695 -0.01040 0.11355 0.21794 69 2PZ -0.01373 0.05422 -0.08231 0.00510 -0.01442 70 3S -0.27100 0.47903 0.86014 -0.16195 0.05403 71 3PX 0.32173 0.42533 -0.55268 0.05350 -0.10806 72 3PY -0.12653 -0.40018 0.39942 -0.35874 -0.22983 73 3PZ -0.56373 -0.14236 0.93302 -0.26786 0.14302 74 4XX 0.09356 -0.12247 0.06506 -0.10457 0.35840 75 4YY -0.08759 0.03068 -0.03697 -0.12136 -0.43304 76 4ZZ -0.06321 0.13767 0.03932 0.21611 0.13668 77 4XY -0.06762 -0.09582 0.02833 -0.01445 0.02723 78 4XZ -0.14711 0.36594 0.15863 -0.07626 -0.04070 79 4YZ 0.03957 0.18777 0.08413 0.15045 -0.06892 80 8 C 1S -0.00013 -0.00263 -0.00345 0.00579 0.00039 81 2S 0.11737 0.10893 0.20783 0.31618 0.13607 82 2PX -0.05784 -0.21837 -0.00471 -0.01631 0.01612 83 2PY -0.07308 0.00693 -0.01002 -0.11363 -0.21797 84 2PZ 0.01377 0.05414 0.08242 0.00525 -0.01435 85 3S 0.27042 0.47981 -0.85929 -0.16271 0.05074 86 3PX -0.32194 0.42464 0.55343 0.05460 -0.10763 87 3PY -0.12714 0.40003 0.39933 0.35952 0.23092 88 3PZ 0.56390 -0.14118 -0.93281 -0.26944 0.14158 89 4XX -0.09352 -0.12250 -0.06525 -0.10472 0.35817 90 4YY 0.08765 0.03077 0.03753 -0.12114 -0.43300 91 4ZZ 0.06308 0.13771 -0.03964 0.21594 0.13675 92 4XY -0.06782 0.09567 0.02849 0.01455 -0.02740 93 4XZ 0.14715 0.36620 -0.15775 -0.07652 -0.04091 94 4YZ 0.03996 -0.18793 0.08408 -0.15032 0.06877 95 9 H 1S -0.10077 -0.03017 -0.15757 0.11874 -0.04978 96 2S 0.03326 -0.01653 -0.14298 0.11882 -0.03539 97 10 H 1S 0.10068 -0.03069 0.15724 0.11910 -0.04983 98 2S -0.03335 -0.01682 0.14274 0.11912 -0.03524 99 11 C 1S -0.00110 0.00141 -0.01906 0.01316 -0.00750 100 2S -0.28254 -0.11394 0.29325 -0.03637 -0.18239 101 2PX 0.10858 -0.05577 -0.18745 0.06070 0.01913 102 2PY 0.01491 0.06369 0.02677 -0.03835 0.05958 103 2PZ -0.04212 -0.01772 0.10361 -0.02961 -0.00701 104 3S 0.41178 0.30549 0.33088 -0.27497 0.28679 105 3PX -0.47189 -0.10168 0.56350 0.00320 -0.15035 106 3PY -0.23164 -0.07733 -0.01842 0.06355 -0.08666 107 3PZ -0.19396 0.08530 0.35635 -0.03606 0.13941 108 4XX 0.00108 -0.11616 0.02626 0.07226 0.02104 109 4YY -0.04605 0.12605 0.08943 0.02636 0.04527 110 4ZZ 0.07373 -0.01263 -0.14662 -0.06952 -0.07491 111 4XY 0.10753 -0.04956 -0.12026 -0.09340 -0.00907 112 4XZ -0.13502 -0.10809 0.22199 -0.12201 -0.09123 113 4YZ 0.04298 -0.10030 -0.22064 0.13370 0.02456 114 12 H 1S -0.07774 -0.02747 0.01502 0.12869 0.04170 115 2S -0.10556 -0.02572 0.16142 -0.00520 0.01926 116 13 H 1S 0.07547 0.12388 -0.18215 0.04281 0.00664 117 2S 0.14413 -0.06771 -0.17570 0.03219 0.00143 118 14 C 1S 0.00109 0.00135 0.01904 0.01321 -0.00752 119 2S 0.28259 -0.11340 -0.29331 -0.03692 -0.18267 120 2PX -0.10855 -0.05614 0.18720 0.06107 0.01920 121 2PY 0.01490 -0.06376 0.02664 0.03842 -0.05954 122 2PZ 0.04214 -0.01749 -0.10358 -0.02981 -0.00702 123 3S -0.41174 0.30657 -0.32990 -0.27593 0.28775 124 3PX 0.47189 -0.10072 -0.56351 0.00211 -0.15088 125 3PY -0.23156 0.07769 -0.01825 -0.06358 0.08679 126 3PZ 0.19389 0.08593 -0.35617 -0.03690 0.13934 127 4XX -0.00103 -0.11612 -0.02657 0.07215 0.02106 128 4YY 0.04593 0.12626 -0.08921 0.02625 0.04532 129 4ZZ -0.07365 -0.01295 0.14666 -0.06923 -0.07495 130 4XY 0.10743 0.04979 -0.12036 0.09316 0.00918 131 4XZ 0.13515 -0.10769 -0.22185 -0.12239 -0.09137 132 4YZ 0.04308 0.10082 -0.22025 -0.13419 -0.02459 133 15 H 1S 0.07766 -0.02748 -0.01533 0.12868 0.04165 134 2S 0.10556 -0.02539 -0.16146 -0.00554 0.01913 135 16 H 1S -0.07559 0.12355 0.18226 0.04320 0.00673 136 2S -0.14404 -0.06801 0.17547 0.03257 0.00145 137 17 H 1S 0.15521 -0.25932 -0.15202 -0.24679 0.08943 138 2S 0.16030 -0.21192 -0.30041 -0.08197 -0.01853 139 18 H 1S -0.15472 -0.25944 0.15209 -0.24646 0.08956 140 2S -0.16015 -0.21226 0.30025 -0.08133 -0.01817 141 19 O 1S -0.02357 -0.00459 0.00008 -0.00237 0.02093 142 2S 0.04047 0.48969 0.33193 0.23049 0.15482 143 2PX -0.22158 0.13712 -0.07803 -0.06076 -0.18403 144 2PY 0.16816 0.09222 0.17437 0.04781 0.01825 145 2PZ 0.10052 -0.13854 -0.00957 0.03937 0.00366 146 3S 0.44296 -0.92096 -0.90094 -0.42087 -0.64910 147 3PX 0.39427 -0.09971 -0.04995 0.16844 0.32922 148 3PY -0.06740 -0.19167 -0.29994 -0.08325 -0.22376 149 3PZ -0.17571 0.18683 0.09297 -0.13849 0.14595 150 4XX -0.02043 0.00882 0.06579 0.02147 -0.03522 151 4YY -0.08988 0.17718 -0.00836 0.08615 0.05417 152 4ZZ 0.07290 -0.00086 0.09463 -0.03873 0.08670 153 4XY 0.25564 0.04636 0.05287 0.08008 0.16888 154 4XZ 0.08358 0.17468 0.04001 0.09903 -0.10856 155 4YZ -0.06866 -0.01623 -0.04322 -0.16716 0.14115 156 20 O 1S 0.02358 -0.00459 -0.00010 -0.00235 0.02092 157 2S -0.04093 0.48995 -0.33180 0.22982 0.15420 158 2PX 0.22159 0.13706 0.07853 -0.06041 -0.18399 159 2PY 0.16827 -0.09232 0.17435 -0.04731 -0.01806 160 2PZ -0.10038 -0.13868 0.00925 0.03929 0.00361 161 3S -0.44208 -0.92191 0.90102 -0.41945 -0.64730 162 3PX -0.39442 -0.09977 0.04924 0.16816 0.32950 163 3PY -0.06762 0.19187 -0.30003 0.08258 0.22326 164 3PZ 0.17547 0.18717 -0.09246 -0.13848 0.14601 165 4XX 0.02043 0.00888 -0.06581 0.02132 -0.03530 166 4YY 0.08978 0.17723 0.00847 0.08624 0.05411 167 4ZZ -0.07290 -0.00080 -0.09463 -0.03895 0.08657 168 4XY 0.25582 -0.04645 0.05307 -0.07989 -0.16879 169 4XZ -0.08357 0.17482 -0.03985 0.09885 -0.10860 170 4YZ -0.06858 0.01623 -0.04351 0.16705 -0.14136 171 21 C 1S 0.00003 -0.03839 0.00002 -0.03343 -0.02132 172 2S 0.00002 -0.27255 -0.00009 -0.17267 0.06537 173 2PX -0.00007 0.05840 -0.00007 0.05637 0.11810 174 2PY -0.28697 0.00005 -0.18109 -0.00029 -0.00012 175 2PZ -0.00001 0.04166 0.00004 0.00967 -0.13651 176 3S -0.00061 1.26376 -0.00045 1.06777 0.80256 177 3PX 0.00011 0.21518 0.00010 0.16388 -0.28754 178 3PY 0.17168 0.00004 0.08604 0.00013 0.00006 179 3PZ 0.00024 -0.43209 -0.00056 0.27338 -0.56977 180 4XX 0.00006 0.11782 0.00025 -0.10914 0.06170 181 4YY 0.00014 -0.22005 0.00009 -0.20085 0.03692 182 4ZZ -0.00017 0.10121 -0.00040 0.36461 -0.07713 183 4XY 0.59536 -0.00010 0.32224 0.00054 0.00010 184 4XZ -0.00010 -0.01943 -0.00019 0.07379 0.43843 185 4YZ -0.23769 -0.00006 -0.14658 -0.00032 -0.00020 186 22 H 1S 0.00009 -0.13999 0.00038 -0.42756 0.21735 187 2S -0.00002 0.04224 0.00020 -0.14268 0.01801 188 23 H 1S 0.00022 -0.22424 0.00010 -0.12384 -0.51857 189 2S 0.00014 -0.19377 -0.00010 0.00259 -0.20145 146 147 148 149 150 V V V V V Eigenvalues -- 2.07782 2.09878 2.11355 2.18119 2.18368 1 1 C 1S 0.02663 0.00193 0.00623 0.01263 -0.00518 2 2S 0.33976 0.27190 0.33464 0.21536 -0.22641 3 2PX 0.00512 0.02688 0.01678 0.00054 0.01295 4 2PY 0.08341 0.04638 0.14018 0.00354 -0.03806 5 2PZ -0.04532 -0.14355 -0.03903 -0.06389 0.03985 6 3S -0.87038 -0.87537 -0.15092 -0.61078 -0.04393 7 3PX -0.17067 -0.03712 0.03073 -0.03773 0.03179 8 3PY -0.02474 -0.07571 -0.18890 -0.36697 0.16200 9 3PZ 0.54237 0.35402 0.12223 0.18148 -0.16548 10 4XX 0.23703 0.08388 0.23583 0.01537 -0.00672 11 4YY -0.02859 0.10285 -0.29336 0.02145 0.03596 12 4ZZ -0.17632 -0.13748 0.10156 -0.02587 -0.01717 13 4XY -0.00485 -0.06093 -0.03382 -0.08855 -0.07704 14 4XZ 0.20516 0.23135 -0.11734 0.01888 0.08781 15 4YZ -0.11654 -0.04094 -0.09904 -0.01488 0.15293 16 2 C 1S -0.01125 -0.02601 0.00400 0.00988 -0.00952 17 2S -0.18393 -0.37170 -0.02304 0.02760 -0.20592 18 2PX -0.08786 0.08545 -0.05788 -0.05912 0.05205 19 2PY 0.02341 0.05575 -0.03386 -0.01816 -0.04112 20 2PZ 0.17745 0.06317 0.09837 0.07643 -0.08064 21 3S 0.92377 1.45628 -0.02965 -0.20923 0.36624 22 3PX 0.21492 -0.33221 -0.21371 0.09931 -0.12220 23 3PY 0.52892 0.37034 -0.22143 -0.00091 0.18647 24 3PZ 0.11603 -0.31016 -0.10717 -0.15558 0.08741 25 4XX 0.35926 0.22484 -0.07085 0.01254 -0.09756 26 4YY -0.18782 -0.14089 0.13504 -0.02325 0.01651 27 4ZZ -0.09854 -0.00962 -0.08616 0.01773 0.09505 28 4XY 0.17901 -0.11078 -0.08078 0.05779 -0.13009 29 4XZ -0.04855 0.24317 -0.06872 0.04767 0.00477 30 4YZ 0.06539 -0.28378 -0.07441 -0.05157 -0.06166 31 3 C 1S -0.01119 0.02609 0.00401 -0.00979 -0.00962 32 2S -0.18311 0.37282 -0.02299 -0.02594 -0.20626 33 2PX -0.08808 -0.08540 -0.05791 0.05865 0.05255 34 2PY -0.02337 0.05576 0.03382 -0.01846 0.04099 35 2PZ 0.17736 -0.06347 0.09840 -0.07570 -0.08127 36 3S 0.92065 -1.46047 -0.02970 0.20626 0.36841 37 3PX 0.21577 0.33216 -0.21369 -0.09833 -0.12310 38 3PY -0.52817 0.37202 0.22151 0.00061 -0.18658 39 3PZ 0.11643 0.31022 -0.10726 0.15494 0.08862 40 4XX 0.35893 -0.22558 -0.07090 -0.01164 -0.09768 41 4YY -0.18766 0.14150 0.13508 0.02311 0.01675 42 4ZZ -0.09853 0.00958 -0.08615 -0.01856 0.09488 43 4XY -0.17912 -0.11053 0.08069 0.05664 0.13062 44 4XZ -0.04904 -0.24314 -0.06871 -0.04766 0.00439 45 4YZ -0.06596 -0.28361 0.07448 -0.05211 0.06122 46 4 C 1S 0.02663 -0.00200 0.00623 -0.01258 -0.00529 47 2S 0.33938 -0.27252 0.33474 -0.21325 -0.22828 48 2PX 0.00508 -0.02688 0.01681 -0.00066 0.01294 49 2PY -0.08332 0.04655 -0.14016 0.00314 0.03809 50 2PZ -0.04510 0.14360 -0.03910 0.06353 0.04041 51 3S -0.86905 0.87783 -0.15105 0.61088 -0.03863 52 3PX -0.17061 0.03740 0.03071 0.03748 0.03217 53 3PY 0.02473 -0.07557 0.18900 -0.36549 -0.16517 54 3PZ 0.54181 -0.35536 0.12231 -0.18002 -0.16703 55 4XX 0.23690 -0.08441 0.23583 -0.01522 -0.00683 56 4YY -0.02883 -0.10285 -0.29337 -0.02191 0.03586 57 4ZZ -0.17606 0.13794 0.10159 0.02609 -0.01704 58 4XY 0.00478 -0.06095 0.03400 -0.08923 0.07617 59 4XZ 0.20468 -0.23181 -0.11737 -0.01961 0.08770 60 4YZ 0.11653 -0.04106 0.09894 -0.01354 -0.15303 61 5 H 1S 0.05710 0.15330 -0.10687 0.02054 0.17821 62 2S -0.12343 -0.05396 -0.00378 -0.06350 0.03069 63 6 H 1S 0.05681 -0.15364 -0.10687 -0.02209 0.17803 64 2S -0.12339 0.05424 -0.00378 0.06322 0.03123 65 7 C 1S 0.00580 0.02893 0.00779 -0.02885 0.02931 66 2S 0.00988 0.76558 -0.02298 -0.46381 0.63859 67 2PX 0.09163 0.11823 -0.03412 0.15860 -0.04656 68 2PY -0.00978 -0.02276 -0.03314 0.03026 0.21284 69 2PZ -0.02803 0.09470 -0.00268 -0.19511 0.08522 70 3S -0.25247 -2.89416 -0.16506 1.89871 -0.65957 71 3PX -0.25264 0.02018 0.13995 -0.99708 0.25262 72 3PY 0.14555 -0.70136 0.10201 1.06290 -0.44243 73 3PZ 0.13664 -1.03949 -0.05203 1.16889 -0.53966 74 4XX 0.00932 -0.16337 0.00836 0.06147 0.16262 75 4YY 0.01782 -0.00225 0.04621 -0.00231 -0.24324 76 4ZZ -0.03183 0.03707 -0.02886 -0.09753 0.08420 77 4XY 0.06312 0.14637 0.05361 -0.18481 0.08332 78 4XZ -0.01783 -0.17475 0.13936 -0.42055 0.14693 79 4YZ -0.10721 0.08400 0.01974 -0.15766 0.10818 80 8 C 1S 0.00574 -0.02897 0.00777 0.02860 0.02957 81 2S 0.00828 -0.76574 -0.02325 0.45840 0.64265 82 2PX 0.09146 -0.11854 -0.03407 -0.15818 -0.04792 83 2PY 0.00977 -0.02297 0.03314 0.03201 -0.21257 84 2PZ -0.02826 -0.09460 -0.00275 0.19438 0.08684 85 3S -0.24636 2.89591 -0.16407 -1.89322 -0.67642 86 3PX -0.25307 -0.01953 0.13964 0.99509 0.26117 87 3PY -0.14722 -0.70068 -0.10246 1.05937 0.45181 88 3PZ 0.13908 1.03946 -0.05165 -1.16407 -0.54990 89 4XX 0.00967 0.16382 0.00841 -0.06296 0.16209 90 4YY 0.01773 0.00170 0.04620 0.00444 -0.24318 91 4ZZ -0.03187 -0.03687 -0.02891 0.09686 0.08500 92 4XY -0.06286 0.14653 -0.05354 -0.18415 -0.08491 93 4XZ -0.01761 0.17510 0.13922 0.41927 0.15051 94 4YZ 0.10738 0.08400 -0.01969 -0.15678 -0.10959 95 9 H 1S 0.11455 -0.05373 -0.14768 -0.02695 0.01507 96 2S 0.15991 0.08811 -0.08747 -0.03791 0.01513 97 10 H 1S 0.11458 0.05353 -0.14763 0.02680 0.01534 98 2S 0.15972 -0.08840 -0.08747 0.03776 0.01548 99 11 C 1S 0.02148 -0.01307 -0.00923 0.01407 0.00387 100 2S -0.34271 -0.04282 -0.06420 0.29288 0.12741 101 2PX 0.08344 -0.04474 -0.00267 -0.05934 -0.01228 102 2PY 0.08852 -0.04311 0.01190 -0.01009 -0.03256 103 2PZ -0.11460 0.02521 0.03433 0.01127 0.00203 104 3S -0.23030 0.72884 0.22044 -0.72297 -0.16600 105 3PX -0.28124 -0.20101 0.15606 0.30207 0.02051 106 3PY -0.19534 -0.09832 -0.03558 0.25760 0.09128 107 3PZ -0.14605 0.12935 0.42361 -0.00397 -0.19054 108 4XX -0.08162 0.03369 0.28308 -0.01250 -0.23835 109 4YY 0.25276 0.07643 -0.02927 0.03506 -0.02194 110 4ZZ -0.09759 -0.12688 -0.28097 -0.05527 0.25395 111 4XY -0.27482 -0.19838 0.16395 -0.08676 -0.06646 112 4XZ -0.16657 -0.11198 -0.19493 0.05816 0.09833 113 4YZ -0.15369 -0.08838 0.29406 -0.08318 -0.05584 114 12 H 1S -0.03995 0.01023 0.38504 0.04901 -0.18748 115 2S -0.01020 -0.01249 0.04938 0.05451 -0.01465 116 13 H 1S 0.31303 0.06317 -0.25206 0.03042 0.12840 117 2S 0.07917 -0.08007 -0.08663 -0.07617 0.01714 118 14 C 1S 0.02152 0.01302 -0.00923 -0.01410 0.00374 119 2S -0.34238 0.04319 -0.06419 -0.29405 0.12484 120 2PX 0.08350 0.04453 -0.00268 0.05946 -0.01178 121 2PY -0.08857 -0.04304 -0.01189 -0.01037 0.03247 122 2PZ -0.11465 -0.02500 0.03433 -0.01129 0.00194 123 3S -0.23238 -0.72747 0.22048 0.72443 -0.15963 124 3PX -0.28061 0.20114 0.15604 -0.30227 0.01792 125 3PY 0.19492 -0.09858 0.03548 0.25833 -0.08910 126 3PZ -0.14624 -0.12887 0.42369 0.00578 -0.19051 127 4XX -0.08180 -0.03357 0.28318 0.01466 -0.23823 128 4YY 0.25270 -0.07687 -0.02922 -0.03483 -0.02224 129 4ZZ -0.09733 0.12702 -0.28111 0.05294 0.25443 130 4XY 0.27440 -0.19877 -0.16377 -0.08733 0.06568 131 4XZ -0.16635 0.11202 -0.19482 -0.05914 0.09780 132 4YZ 0.15363 -0.08859 -0.29404 -0.08378 0.05511 133 15 H 1S -0.03991 -0.01023 0.38505 -0.04726 -0.18790 134 2S -0.01010 0.01249 0.04939 -0.05439 -0.01516 135 16 H 1S 0.31293 -0.06358 -0.25207 -0.03156 0.12812 136 2S 0.07926 0.07985 -0.08665 0.07600 0.01776 137 17 H 1S 0.16220 0.01979 0.03473 -0.15602 -0.06369 138 2S 0.11933 0.14062 0.01708 -0.48978 -0.22623 139 18 H 1S 0.16209 -0.01999 0.03470 0.15651 -0.06233 140 2S 0.11888 -0.14112 0.01695 0.49172 -0.22195 141 19 O 1S 0.00550 -0.00815 0.00315 0.02030 0.01579 142 2S -0.23161 -0.33174 -0.12538 -0.13903 -0.13071 143 2PX -0.02415 -0.08180 0.09791 -0.11857 0.04644 144 2PY -0.04994 -0.03848 -0.07322 -0.09798 -0.11820 145 2PZ 0.01671 -0.01085 -0.01540 0.13611 -0.04500 146 3S 0.32740 1.10139 0.16948 -0.59972 0.03317 147 3PX -0.00372 0.45928 -0.07995 -0.11548 0.23664 148 3PY 0.07826 0.17792 0.05974 -0.03148 0.03123 149 3PZ -0.03390 -0.04621 -0.07418 -0.14765 -0.00059 150 4XX 0.09910 -0.04748 0.09350 0.17975 0.19036 151 4YY -0.07677 -0.12066 -0.02467 -0.04090 -0.01818 152 4ZZ -0.07084 0.02986 -0.08819 -0.13016 -0.15152 153 4XY -0.06347 0.01724 -0.07980 -0.13617 0.01689 154 4XZ 0.01982 0.05387 0.03830 -0.16360 0.15374 155 4YZ -0.03493 0.11047 -0.03168 -0.27224 -0.04439 156 20 O 1S 0.00551 0.00817 0.00315 -0.02044 0.01561 157 2S -0.23087 0.33269 -0.12529 0.13993 -0.12951 158 2PX -0.02407 0.08176 0.09782 0.11825 0.04740 159 2PY 0.04982 -0.03865 0.07318 -0.09888 0.11730 160 2PZ 0.01679 0.01074 -0.01531 -0.13576 -0.04612 161 3S 0.32484 -1.10359 0.16913 0.59990 0.03856 162 3PX -0.00459 -0.45922 -0.07995 0.11340 0.23772 163 3PY -0.07779 0.17844 -0.05964 -0.03141 -0.03149 164 3PZ -0.03383 0.04668 -0.07428 0.14759 0.00064 165 4XX 0.09921 0.04726 0.09357 -0.18145 0.18886 166 4YY -0.07656 0.12093 -0.02468 0.04109 -0.01786 167 4ZZ -0.07084 -0.02957 -0.08821 0.13143 -0.15041 168 4XY 0.06348 0.01700 0.07978 -0.13603 -0.01810 169 4XZ 0.01969 -0.05394 0.03829 0.16220 0.15520 170 4YZ 0.03521 0.11033 0.03185 -0.27270 0.04213 171 21 C 1S 0.01867 -0.00004 0.00406 0.00013 -0.03081 172 2S 0.03159 0.00000 -0.22081 0.00177 -0.43018 173 2PX -0.05183 0.00014 -0.08212 -0.00003 0.00023 174 2PY 0.00007 0.03415 0.00003 0.05469 0.00023 175 2PZ 0.01730 -0.00007 0.03871 -0.00001 0.00803 176 3S -0.51459 0.00108 0.03353 -0.00473 1.07750 177 3PX 0.07718 -0.00021 0.42134 -0.00271 0.65764 178 3PY -0.00012 -0.09441 -0.00003 0.02364 0.00012 179 3PZ 0.25713 -0.00073 0.06381 0.00182 -0.43051 180 4XX -0.00232 0.00008 0.11653 -0.00155 0.36768 181 4YY 0.11655 -0.00019 0.18321 -0.00102 0.27650 182 4ZZ -0.11511 0.00010 -0.30180 0.00257 -0.64639 183 4XY -0.00003 0.02013 -0.00004 -0.21537 -0.00096 184 4XZ -0.14222 0.00035 -0.25578 0.00073 -0.20912 185 4YZ 0.00030 0.23809 0.00020 -0.44904 -0.00175 186 22 H 1S 0.04580 0.00008 0.11331 -0.00127 0.31254 187 2S -0.04621 0.00010 -0.02941 0.00011 -0.02102 188 23 H 1S 0.22790 -0.00053 0.24614 -0.00010 0.05377 189 2S 0.11563 -0.00028 0.09597 0.00027 -0.06365 151 152 153 154 155 V V V V V Eigenvalues -- 2.23786 2.26190 2.27827 2.27963 2.31628 1 1 C 1S 0.00647 -0.00847 -0.00424 -0.02784 0.00784 2 2S 0.14713 -0.39008 0.04923 -0.38709 0.16096 3 2PX -0.02352 -0.01843 0.03627 -0.07385 0.01282 4 2PY 0.03846 -0.09394 0.00200 0.07261 -0.00550 5 2PZ 0.03574 0.09675 -0.04379 0.05676 0.06064 6 3S -1.50156 0.42931 0.05915 2.98715 -1.41616 7 3PX -0.45533 -0.09575 0.01961 0.60617 0.09643 8 3PY -0.53554 0.04485 -0.07125 1.03371 -0.66567 9 3PZ 0.43741 -0.26796 0.04926 -1.62229 0.77808 10 4XX -0.25719 -0.27243 0.05596 -0.15012 0.08143 11 4YY -0.02042 0.19189 -0.01884 0.07054 -0.03679 12 4ZZ 0.20396 0.09439 -0.04965 0.11161 -0.12929 13 4XY -0.19429 0.04923 -0.06129 -0.39468 0.33609 14 4XZ 0.20475 0.14882 -0.11348 -0.06636 -0.35808 15 4YZ -0.02503 0.02056 0.03427 -0.03785 0.18226 16 2 C 1S -0.00555 0.00532 0.00966 0.03399 -0.00909 17 2S -0.41109 0.13893 -0.07447 0.39085 -0.43266 18 2PX -0.01150 0.03074 -0.00408 -0.00372 0.00152 19 2PY -0.10837 -0.00045 -0.03923 0.01198 -0.07792 20 2PZ 0.01851 -0.06475 -0.00239 -0.10896 0.08116 21 3S 1.18031 -0.46695 -0.08738 -2.70782 1.25821 22 3PX 0.48254 0.32912 -0.09220 -0.41664 -0.13446 23 3PY 0.98399 0.22502 0.01391 -1.54148 0.74919 24 3PZ 0.20253 0.05048 -0.01232 -0.05322 -0.20870 25 4XX 0.17416 0.21915 0.03600 -0.36102 0.08214 26 4YY -0.23224 -0.31176 0.10480 0.07220 -0.01475 27 4ZZ 0.10866 0.07257 -0.10149 0.20776 0.01119 28 4XY 0.24435 0.18426 -0.12510 -0.10228 -0.24255 29 4XZ 0.04081 0.04996 -0.06667 0.00039 -0.11260 30 4YZ 0.18055 0.17610 -0.04725 -0.05652 0.06946 31 3 C 1S 0.00555 0.00536 0.00961 -0.03401 0.00912 32 2S 0.41123 0.13931 -0.07503 -0.39062 0.43279 33 2PX 0.01150 0.03071 -0.00408 0.00370 -0.00154 34 2PY -0.10839 0.00045 0.03920 0.01187 -0.07791 35 2PZ -0.01853 -0.06482 -0.00214 0.10895 -0.08124 36 3S -1.18058 -0.46904 -0.08282 2.70791 -1.25917 37 3PX -0.48268 0.32904 -0.09168 0.41737 0.13401 38 3PY 0.98400 -0.22394 -0.01631 -1.54159 0.74958 39 3PZ -0.20228 0.05044 -0.01234 0.05292 0.20881 40 4XX -0.17420 0.21903 0.03659 0.36111 -0.08144 41 4YY 0.23221 -0.31171 0.10483 -0.07260 0.01468 42 4ZZ -0.10862 0.07261 -0.10194 -0.20756 -0.01180 43 4XY 0.24419 -0.18412 0.12500 -0.10254 -0.24207 44 4XZ -0.04080 0.04998 -0.06667 -0.00023 0.11211 45 4YZ 0.18056 -0.17611 0.04728 -0.05670 0.06933 46 4 C 1S -0.00647 -0.00848 -0.00418 0.02784 -0.00787 47 2S -0.14713 -0.39025 0.05000 0.38687 -0.16120 48 2PX 0.02349 -0.01848 0.03643 0.07374 -0.01270 49 2PY 0.03848 0.09388 -0.00182 0.07266 -0.00527 50 2PZ -0.03572 0.09677 -0.04395 -0.05662 -0.06064 51 3S 1.50164 0.43114 0.05395 -2.98715 1.41683 52 3PX 0.45543 -0.09544 0.01865 -0.60647 -0.09604 53 3PY -0.53533 -0.04537 0.07303 1.03312 -0.66559 54 3PZ -0.43756 -0.26895 0.05231 1.62240 -0.77849 55 4XX 0.25720 -0.27252 0.05634 0.15005 -0.08159 56 4YY 0.02038 0.19193 -0.01892 -0.07054 0.03716 57 4ZZ -0.20395 0.09445 -0.04997 -0.11152 0.12897 58 4XY -0.19421 -0.04912 0.06048 -0.39481 0.33629 59 4XZ -0.20479 0.14882 -0.11345 0.06661 0.35752 60 4YZ -0.02498 -0.02047 -0.03434 -0.03777 0.18227 61 5 H 1S 0.02367 -0.00360 -0.00496 0.13782 -0.13552 62 2S -0.16850 0.03387 -0.04958 0.46583 -0.18521 63 6 H 1S -0.02372 -0.00351 -0.00526 -0.13781 0.13549 64 2S 0.16852 0.03412 -0.05041 -0.46575 0.18526 65 7 C 1S -0.01493 0.00355 0.01776 -0.01602 0.00403 66 2S -0.27137 0.31998 0.13368 -0.31317 -0.15412 67 2PX 0.02211 -0.03469 0.07139 0.03326 0.05165 68 2PY 0.03732 0.14685 0.10729 0.01068 -0.00859 69 2PZ -0.05497 0.06938 -0.01737 -0.03503 -0.07481 70 3S 0.87006 -0.06876 -0.33614 1.37874 0.27145 71 3PX -0.17260 0.29379 0.21270 -0.07809 -0.39899 72 3PY 0.17972 -0.40685 -0.11581 0.43326 0.34131 73 3PZ 0.28369 -0.23862 -0.05227 0.47103 0.22032 74 4XX 0.07179 0.00558 -0.28108 0.07883 0.09095 75 4YY 0.03119 -0.19681 -0.10335 0.01283 -0.01276 76 4ZZ -0.09164 0.16700 0.42959 -0.05216 -0.04907 77 4XY 0.17031 -0.08298 -0.13922 0.15398 0.14727 78 4XZ -0.19331 0.05482 0.02414 0.02644 -0.22284 79 4YZ 0.09577 0.03705 -0.00809 0.13044 0.07109 80 8 C 1S 0.01492 0.00352 0.01779 0.01599 -0.00404 81 2S 0.27123 0.31963 0.13419 0.31301 0.15419 82 2PX -0.02214 -0.03463 0.07134 -0.03342 -0.05161 83 2PY 0.03736 -0.14688 -0.10724 0.01084 -0.00857 84 2PZ 0.05496 0.06928 -0.01738 0.03508 0.07483 85 3S -0.86970 -0.06706 -0.33842 -1.37817 -0.27136 86 3PX 0.17245 0.29360 0.21263 0.07779 0.39882 87 3PY 0.17977 0.40632 0.11632 0.43328 0.34131 88 3PZ -0.28347 -0.23784 -0.05293 -0.47091 -0.22014 89 4XX -0.07169 0.00558 -0.28117 -0.07834 -0.09091 90 4YY -0.03120 -0.19679 -0.10341 -0.01274 0.01272 91 4ZZ 0.09152 0.16698 0.42968 0.05147 0.04901 92 4XY 0.17019 0.08291 0.13968 0.15376 0.14716 93 4XZ 0.19332 0.05477 0.02407 -0.02648 0.22284 94 4YZ 0.09574 -0.03718 0.00829 0.13039 0.07109 95 9 H 1S -0.20469 0.25658 -0.03101 0.10131 -0.07094 96 2S -0.22811 0.13053 0.00982 0.32824 -0.13294 97 10 H 1S 0.20472 0.25661 -0.03107 -0.10110 0.07100 98 2S 0.22812 0.13073 0.00932 -0.32816 0.13281 99 11 C 1S -0.02874 0.01043 -0.00119 0.03966 0.00488 100 2S -0.20241 0.03189 -0.03581 0.26142 -0.17685 101 2PX -0.04027 0.03760 -0.00632 0.06891 -0.02007 102 2PY 0.01779 -0.02676 0.00379 0.02154 0.08018 103 2PZ 0.05583 0.02812 -0.00778 -0.06287 0.00308 104 3S 1.56490 -0.13158 0.09343 -2.23710 0.71275 105 3PX 0.03482 0.09366 -0.07245 0.37539 -0.17353 106 3PY -0.42498 0.03959 0.02326 0.42894 0.10866 107 3PZ 0.23639 -0.12545 0.01090 -0.52996 -0.13397 108 4XX -0.11335 0.39903 -0.11336 0.26734 0.01984 109 4YY 0.04736 0.01878 -0.00763 -0.08575 -0.17162 110 4ZZ 0.08161 -0.38823 0.13314 -0.18349 0.23215 111 4XY 0.19819 0.12570 -0.07621 -0.24096 -0.15653 112 4XZ 0.18556 0.08546 -0.06154 0.08956 0.19390 113 4YZ 0.20775 0.03086 -0.02828 -0.28735 -0.10476 114 12 H 1S -0.06416 0.21034 -0.07472 0.05463 -0.27873 115 2S -0.03950 -0.12934 -0.01723 0.00632 -0.07745 116 13 H 1S -0.21143 -0.23766 0.09540 0.07615 -0.00341 117 2S -0.02524 0.05146 0.00422 0.05059 -0.07164 118 14 C 1S 0.02874 0.01046 -0.00125 -0.03965 -0.00490 119 2S 0.20237 0.03215 -0.03607 -0.26137 0.17696 120 2PX 0.04028 0.03764 -0.00645 -0.06888 0.02004 121 2PY 0.01781 0.02677 -0.00374 0.02153 0.08026 122 2PZ -0.05583 0.02810 -0.00768 0.06289 -0.00304 123 3S -1.56479 -0.13325 0.09655 2.23681 -0.71239 124 3PX -0.03479 0.09393 -0.07312 -0.37530 0.17315 125 3PY -0.42493 -0.03977 -0.02279 0.42878 0.10859 126 3PZ -0.23646 -0.12576 0.01170 0.52995 0.13398 127 4XX 0.11338 0.39922 -0.11391 -0.26677 -0.01953 128 4YY -0.04736 0.01873 -0.00744 0.08579 0.17127 129 4ZZ -0.08164 -0.38840 0.13347 0.18290 -0.23217 130 4XY 0.19826 -0.12551 0.07583 -0.24125 -0.15648 131 4XZ -0.18560 0.08553 -0.06178 -0.08938 -0.19400 132 4YZ 0.20776 -0.03063 0.02778 -0.28749 -0.10450 133 15 H 1S 0.06416 0.21045 -0.07480 -0.05436 0.27856 134 2S 0.03950 -0.12929 -0.01721 -0.00636 0.07742 135 16 H 1S 0.21141 -0.23760 0.09540 -0.07648 0.00343 136 2S 0.02525 0.05154 0.00413 -0.05058 0.07179 137 17 H 1S 0.04528 -0.13389 -0.09980 0.01124 -0.03290 138 2S -0.06043 -0.12911 0.02301 -0.07242 -0.17649 139 18 H 1S -0.04526 -0.13389 -0.09987 -0.01112 0.03295 140 2S 0.06046 -0.12930 0.02301 0.07236 0.17652 141 19 O 1S 0.01239 0.00446 -0.00622 0.00403 0.01623 142 2S -0.03724 -0.00506 -0.18324 0.11891 -0.13102 143 2PX -0.06423 0.03365 0.06777 0.03174 -0.09277 144 2PY -0.05312 -0.03852 -0.05787 -0.02379 -0.06828 145 2PZ 0.02210 -0.04165 -0.02277 0.01169 0.02141 146 3S -0.28098 -0.04677 0.43697 -0.47496 -0.11623 147 3PX -0.01130 0.09513 0.00109 -0.18756 0.12798 148 3PY 0.01957 0.01255 0.15682 -0.03109 0.01868 149 3PZ 0.11917 0.05798 -0.08966 0.06452 0.08303 150 4XX -0.02296 -0.11764 -0.39510 -0.04674 0.02094 151 4YY 0.06196 -0.00241 -0.03030 0.08235 0.00984 152 4ZZ -0.02283 0.12548 0.36610 -0.01402 -0.00331 153 4XY 0.08469 0.00369 -0.07820 0.07092 0.08449 154 4XZ -0.15842 -0.00858 -0.30372 -0.16296 -0.12821 155 4YZ 0.12157 0.04247 0.14727 0.05255 0.12215 156 20 O 1S -0.01238 0.00447 -0.00623 -0.00402 -0.01623 157 2S 0.03744 -0.00499 -0.18346 -0.11857 0.13111 158 2PX 0.06419 0.03362 0.06769 -0.03185 0.09277 159 2PY -0.05315 0.03853 0.05781 -0.02387 -0.06828 160 2PZ -0.02210 -0.04160 -0.02274 -0.01166 -0.02141 161 3S 0.28052 -0.04723 0.43780 0.47412 0.11593 162 3PX 0.01123 0.09494 0.00144 0.18762 -0.12800 163 3PY 0.01968 -0.01250 -0.15682 -0.03077 0.01880 164 3PZ -0.11909 0.05797 -0.08990 -0.06437 -0.08302 165 4XX 0.02309 -0.11766 -0.39491 0.04741 -0.02085 166 4YY -0.06196 -0.00234 -0.03044 -0.08231 -0.00990 167 4ZZ 0.02274 0.12547 0.36603 0.01340 0.00329 168 4XY 0.08460 -0.00368 0.07845 0.07074 0.08446 169 4XZ 0.15854 -0.00872 -0.30342 0.16355 0.12831 170 4YZ 0.12165 -0.04243 -0.14720 0.05282 0.12229 171 21 C 1S 0.00000 -0.02077 0.00185 -0.00001 0.00000 172 2S 0.00007 -0.16560 -0.25859 0.00019 0.00006 173 2PX 0.00002 0.04645 -0.09841 0.00010 0.00003 174 2PY 0.01194 -0.00001 -0.00002 -0.00290 0.00331 175 2PZ -0.00002 0.00930 0.03890 -0.00004 -0.00002 176 3S 0.00001 0.59087 0.04641 0.00012 0.00003 177 3PX -0.00007 0.13822 0.11327 -0.00006 0.00001 178 3PY -0.02063 0.00002 0.00002 0.01963 -0.07510 179 3PZ 0.00008 -0.51378 -0.29876 0.00023 0.00005 180 4XX 0.00002 0.09899 -0.16226 0.00016 0.00008 181 4YY -0.00012 0.13431 0.16166 -0.00015 -0.00005 182 4ZZ 0.00010 -0.25363 0.02297 -0.00004 -0.00003 183 4XY 0.06876 0.00000 0.00006 0.02983 0.01249 184 4XZ 0.00014 -0.12302 -0.41553 0.00038 0.00011 185 4YZ 0.30609 0.00006 0.00030 0.18072 0.26794 186 22 H 1S -0.00003 0.17703 -0.00027 0.00002 0.00004 187 2S -0.00004 0.09335 0.15855 -0.00016 -0.00005 188 23 H 1S -0.00009 -0.03558 0.21421 -0.00021 -0.00006 189 2S 0.00003 -0.19363 -0.14050 0.00011 0.00004 156 157 158 159 160 V V V V V Eigenvalues -- 2.31862 2.37240 2.41459 2.44861 2.45989 1 1 C 1S -0.01388 -0.00046 0.02120 0.02174 0.01321 2 2S -0.19102 -0.19491 0.13237 0.14302 0.00299 3 2PX 0.07008 -0.00137 0.01412 0.00983 -0.00457 4 2PY -0.14392 0.04806 -0.14068 -0.00515 -0.02416 5 2PZ 0.01727 0.09986 -0.10351 -0.01290 0.03379 6 3S 0.38220 0.42345 -0.31396 -0.75903 -0.57064 7 3PX 0.16628 -0.00423 -0.11284 -0.10191 -0.02948 8 3PY 0.07942 -0.10498 -0.32848 0.11462 0.19343 9 3PZ -0.14850 -0.45768 0.21086 0.39489 0.18537 10 4XX -0.03205 -0.06881 0.25882 0.15997 0.10659 11 4YY 0.23288 -0.08417 -0.17465 0.11135 0.09014 12 4ZZ -0.25338 0.11749 -0.06496 -0.27129 -0.18647 13 4XY -0.19085 0.00259 -0.39753 -0.04991 -0.07069 14 4XZ -0.35897 0.21534 -0.13250 0.15077 0.12153 15 4YZ 0.02003 0.24319 -0.27188 0.06915 0.05075 16 2 C 1S 0.00691 0.00116 0.04137 -0.04632 -0.04079 17 2S 0.04043 0.08548 0.23432 -0.11329 -0.13572 18 2PX -0.00234 0.03656 -0.17541 0.06172 0.05381 19 2PY 0.02374 -0.01552 0.00070 0.06383 0.04925 20 2PZ -0.04319 -0.06769 0.20425 -0.03151 -0.03701 21 3S -0.34696 -0.97710 -1.35299 1.44853 1.20266 22 3PX -0.18383 -0.13992 -0.40486 0.23083 0.07850 23 3PY -0.20311 -0.25291 -0.54531 0.40124 0.31067 24 3PZ -0.08004 0.16980 0.13624 0.04466 0.04128 25 4XX 0.38335 0.01988 0.23001 -0.20330 -0.10565 26 4YY -0.00964 -0.27814 0.03612 0.38122 0.18547 27 4ZZ -0.37495 0.17810 -0.21983 -0.20006 -0.10042 28 4XY -0.31062 -0.12087 -0.19708 0.27589 0.14371 29 4XZ -0.27644 0.12371 0.06753 -0.25989 -0.20466 30 4YZ 0.11984 0.24560 0.02865 0.03966 0.02794 31 3 C 1S 0.00690 -0.00115 -0.04136 -0.04635 -0.04081 32 2S 0.03979 -0.08543 -0.23428 -0.11386 -0.13596 33 2PX -0.00235 -0.03654 0.17537 0.06182 0.05385 34 2PY -0.02362 -0.01553 0.00079 -0.06370 -0.04918 35 2PZ -0.04305 0.06769 -0.20423 -0.03160 -0.03704 36 3S -0.34491 0.97680 1.35257 1.45043 1.20329 37 3PX -0.18411 0.14002 0.40496 0.23121 0.07860 38 3PY 0.20184 -0.25272 -0.54508 -0.40227 -0.31097 39 3PZ -0.08021 -0.16990 -0.13641 0.04445 0.04108 40 4XX 0.38338 -0.01987 -0.22985 -0.20331 -0.10568 41 4YY -0.00951 0.27796 -0.03632 0.38119 0.18542 42 4ZZ -0.37499 -0.17793 0.21989 -0.19995 -0.10034 43 4XY 0.31117 -0.12092 -0.19702 -0.27610 -0.14385 44 4XZ -0.27655 -0.12372 -0.06753 -0.26008 -0.20472 45 4YZ -0.11994 0.24572 0.02857 -0.03954 -0.02795 46 4 C 1S -0.01386 0.00046 -0.02121 0.02172 0.01321 47 2S -0.19073 0.19486 -0.13241 0.14279 0.00278 48 2PX 0.07008 0.00135 -0.01409 0.00981 -0.00460 49 2PY 0.14396 0.04809 -0.14072 0.00509 0.02416 50 2PZ 0.01739 -0.09985 0.10349 -0.01278 0.03387 51 3S 0.37968 -0.42325 0.31421 -0.75916 -0.57044 52 3PX 0.16636 0.00426 0.11293 -0.10199 -0.02942 53 3PY -0.07825 -0.10508 -0.32835 -0.11486 -0.19361 54 3PZ -0.14713 0.45753 -0.21103 0.39497 0.18508 55 4XX -0.03198 0.06874 -0.25871 0.15980 0.10653 56 4YY 0.23287 0.08406 0.17459 0.11150 0.09016 57 4ZZ -0.25358 -0.11731 0.06492 -0.27125 -0.18639 58 4XY 0.19035 0.00261 -0.39767 0.04983 0.07072 59 4XZ -0.35949 -0.21538 0.13240 0.15070 0.12163 60 4YZ -0.02024 0.24320 -0.27178 -0.06904 -0.05064 61 5 H 1S -0.00735 0.15588 -0.08271 0.16566 0.16408 62 2S 0.03385 -0.02834 -0.13019 -0.09795 -0.01906 63 6 H 1S -0.00759 -0.15590 0.08264 0.16559 0.16412 64 2S 0.03351 0.02837 0.13021 -0.09791 -0.01898 65 7 C 1S 0.00091 0.00843 -0.00474 0.00022 0.01217 66 2S 0.03942 0.36730 0.19124 -0.20339 0.12931 67 2PX 0.01664 -0.01830 -0.02789 -0.02974 -0.03581 68 2PY -0.00415 -0.02381 -0.00946 -0.04390 0.06321 69 2PZ -0.00462 0.07999 0.06930 -0.02473 0.00166 70 3S -0.05910 -1.19227 -0.22171 0.17276 -0.29143 71 3PX -0.05243 0.19466 0.02663 0.07207 0.09016 72 3PY 0.00537 -0.59566 -0.14943 0.01960 -0.03992 73 3PZ -0.04704 -0.35996 -0.08306 0.10424 -0.26568 74 4XX 0.03398 -0.12214 -0.08442 -0.14936 0.21449 75 4YY 0.02148 -0.01838 0.00075 0.06694 -0.04104 76 4ZZ -0.07689 0.06560 0.03471 0.15152 -0.17586 77 4XY 0.03644 -0.06423 -0.01421 -0.02648 0.02758 78 4XZ 0.00131 0.09719 0.02493 -0.08347 0.13325 79 4YZ 0.02110 0.01508 0.01857 -0.00587 0.03231 80 8 C 1S 0.00092 -0.00843 0.00473 0.00022 0.01217 81 2S 0.03913 -0.36736 -0.19122 -0.20334 0.12963 82 2PX 0.01670 0.01829 0.02790 -0.02981 -0.03591 83 2PY 0.00415 -0.02381 -0.00945 0.04390 -0.06331 84 2PZ -0.00472 -0.08001 -0.06929 -0.02469 0.00172 85 3S -0.05879 1.19235 0.22171 0.17223 -0.29142 86 3PX -0.05286 -0.19460 -0.02664 0.07254 0.08991 87 3PY -0.00566 -0.59569 -0.14945 -0.01938 0.03974 88 3PZ -0.04691 0.35973 0.08302 0.10364 -0.26591 89 4XX 0.03413 0.12223 0.08447 -0.14939 0.21453 90 4YY 0.02150 0.01838 -0.00079 0.06696 -0.04089 91 4ZZ -0.07697 -0.06567 -0.03475 0.15151 -0.17613 92 4XY -0.03671 -0.06420 -0.01420 0.02645 -0.02727 93 4XZ 0.00098 -0.09712 -0.02491 -0.08348 0.13328 94 4YZ -0.02119 0.01510 0.01860 0.00580 -0.03200 95 9 H 1S 0.03974 -0.18851 -0.01141 -0.30302 -0.18039 96 2S -0.08636 0.06082 0.08225 0.13076 0.07499 97 10 H 1S 0.03961 0.18853 0.01151 -0.30301 -0.18036 98 2S -0.08659 -0.06084 -0.08229 0.13052 0.07490 99 11 C 1S -0.00989 0.04396 0.06536 0.02768 0.01966 100 2S 0.11082 0.18044 0.40584 0.12484 0.14314 101 2PX -0.00159 0.00909 0.05072 0.04281 0.03777 102 2PY -0.06542 0.06959 0.10563 -0.02618 -0.04187 103 2PZ 0.01188 -0.04646 -0.02773 -0.07777 -0.05030 104 3S 0.08808 -1.42344 -2.42147 -0.74879 -0.59049 105 3PX -0.12437 0.47687 0.45726 0.37616 0.28629 106 3PY 0.04167 0.52466 0.55151 -0.08833 -0.04068 107 3PZ -0.02794 -0.39703 -0.84780 -0.25935 -0.22579 108 4XX 0.18745 0.02674 -0.01777 0.04481 0.05097 109 4YY -0.19275 -0.18659 -0.25463 0.11331 0.04786 110 4ZZ -0.03999 0.19247 0.30049 -0.14121 -0.10800 111 4XY 0.00192 -0.41658 0.17619 0.07129 0.07438 112 4XZ -0.02203 0.23393 0.40877 0.33664 0.26527 113 4YZ -0.13185 0.15114 -0.11112 -0.03596 -0.03375 114 12 H 1S -0.05963 -0.05058 -0.15294 0.04298 0.02703 115 2S -0.01985 -0.04193 -0.03882 0.00950 0.00219 116 13 H 1S -0.03993 0.10063 0.04593 -0.08648 -0.07784 117 2S 0.09420 -0.14570 0.05677 -0.04105 -0.01091 118 14 C 1S -0.00989 -0.04396 -0.06537 0.02762 0.01964 119 2S 0.11052 -0.18042 -0.40585 0.12428 0.14302 120 2PX -0.00162 -0.00914 -0.05076 0.04279 0.03774 121 2PY 0.06528 0.06957 0.10561 0.02625 0.04191 122 2PZ 0.01191 0.04649 0.02777 -0.07772 -0.05028 123 3S 0.08922 1.42347 2.42163 -0.74575 -0.58965 124 3PX -0.12470 -0.47701 -0.45751 0.37537 0.28604 125 3PY -0.04180 0.52448 0.55122 0.08934 0.04100 126 3PZ -0.02825 0.39715 0.84795 -0.25874 -0.22564 127 4XX 0.18747 -0.02660 0.01771 0.04475 0.05083 128 4YY -0.19308 0.18637 0.25469 0.11341 0.04788 129 4ZZ -0.03955 -0.19240 -0.30050 -0.14123 -0.10787 130 4XY -0.00167 -0.41659 0.17622 -0.07144 -0.07434 131 4XZ -0.02174 -0.23407 -0.40879 0.33646 0.26517 132 4YZ 0.13190 0.15115 -0.11111 0.03628 0.03400 133 15 H 1S -0.06006 0.05056 0.15293 0.04281 0.02688 134 2S -0.02002 0.04195 0.03882 0.00954 0.00222 135 16 H 1S -0.03995 -0.10059 -0.04590 -0.08655 -0.07774 136 2S 0.09416 0.14566 -0.05676 -0.04097 -0.01094 137 17 H 1S 0.00807 0.04333 0.02866 -0.08305 0.05804 138 2S -0.01562 0.13923 0.05028 0.04996 -0.09745 139 18 H 1S 0.00808 -0.04331 -0.02862 -0.08293 0.05790 140 2S -0.01575 -0.13932 -0.05029 0.05013 -0.09744 141 19 O 1S -0.00188 -0.00997 -0.00039 -0.00027 -0.00141 142 2S 0.00647 0.05960 0.09273 -0.04561 -0.07394 143 2PX 0.00136 0.06186 0.03362 0.03636 -0.04354 144 2PY -0.00526 0.02893 0.01157 -0.01816 0.00047 145 2PZ 0.00467 -0.01782 -0.01646 0.01278 -0.04427 146 3S 0.01019 0.20622 -0.11754 0.07757 0.24147 147 3PX 0.01068 -0.02370 -0.06049 -0.19569 0.30208 148 3PY 0.00902 0.02845 -0.04088 0.07122 0.04092 149 3PZ -0.01468 -0.07308 0.01738 -0.08146 0.13217 150 4XX 0.08096 0.01597 -0.01835 -0.08851 0.09023 151 4YY -0.00841 -0.03689 -0.02051 -0.00543 0.05419 152 4ZZ -0.08896 -0.00545 0.04702 0.09333 -0.14428 153 4XY 0.02151 -0.07590 -0.02414 -0.19271 0.25660 154 4XZ 0.04388 0.15709 0.10820 -0.00684 -0.00249 155 4YZ -0.06615 -0.12427 -0.02260 -0.22337 0.34944 156 20 O 1S -0.00186 0.00997 0.00039 -0.00028 -0.00141 157 2S 0.00625 -0.05963 -0.09274 -0.04567 -0.07378 158 2PX 0.00123 -0.06186 -0.03364 0.03638 -0.04352 159 2PY 0.00538 0.02892 0.01156 0.01815 -0.00053 160 2PZ 0.00469 0.01781 0.01646 0.01279 -0.04431 161 3S 0.01014 -0.20607 0.11756 0.07802 0.24129 162 3PX 0.01087 0.02374 0.06053 -0.19560 0.30206 163 3PY -0.00912 0.02838 -0.04086 -0.07125 -0.04077 164 3PZ -0.01450 0.07312 -0.01737 -0.08154 0.13228 165 4XX 0.08093 -0.01591 0.01837 -0.08854 0.09026 166 4YY -0.00839 0.03695 0.02053 -0.00551 0.05427 167 4ZZ -0.08893 0.00531 -0.04705 0.09341 -0.14439 168 4XY -0.02172 -0.07592 -0.02412 0.19270 -0.25656 169 4XZ 0.04366 -0.15710 -0.10820 -0.00676 -0.00243 170 4YZ 0.06593 -0.12431 -0.02262 0.22335 -0.34955 171 21 C 1S -0.00062 0.00000 0.00000 0.01083 -0.00767 172 2S 0.01202 0.00000 0.00002 -0.07475 -0.05411 173 2PX 0.00225 0.00000 0.00001 -0.07594 0.00542 174 2PY 0.00000 -0.00345 -0.03746 0.00000 0.00001 175 2PZ -0.00924 0.00001 0.00000 0.01254 0.00981 176 3S -0.01700 -0.00006 0.00000 -0.27365 0.26630 177 3PX 0.04734 -0.00002 -0.00002 0.04692 -0.01689 178 3PY 0.00004 0.00974 -0.00780 -0.00001 0.00001 179 3PZ 0.09373 -0.00002 -0.00001 0.08557 -0.16247 180 4XX 0.06682 -0.00003 -0.00002 0.29367 -0.46639 181 4YY -0.00058 0.00004 0.00000 -0.02655 0.07570 182 4ZZ -0.05737 -0.00001 0.00001 -0.24220 0.40570 183 4XY -0.00004 -0.08090 -0.05165 -0.00003 0.00001 184 4XZ 0.08201 -0.00002 -0.00001 0.31880 -0.50193 185 4YZ -0.00027 -0.23666 -0.05643 0.00004 -0.00007 186 22 H 1S 0.02413 -0.00001 -0.00001 0.21039 -0.31985 187 2S -0.04654 0.00002 0.00001 -0.07608 0.17232 188 23 H 1S -0.02865 0.00002 0.00001 -0.16027 0.26483 189 2S 0.06640 -0.00001 -0.00001 0.15925 -0.19516 161 162 163 164 165 V V V V V Eigenvalues -- 2.46406 2.48232 2.51089 2.55038 2.59076 1 1 C 1S 0.00592 0.01126 -0.03358 0.00078 0.00613 2 2S 0.26032 0.07234 -0.50552 -0.00696 -0.26911 3 2PX 0.02308 -0.02238 -0.01189 -0.00401 0.01091 4 2PY -0.00801 -0.03005 0.09931 -0.01654 0.04625 5 2PZ -0.08630 -0.00345 0.19660 -0.02256 0.13507 6 3S -0.18426 -0.25016 -0.15539 0.34850 -0.00048 7 3PX 0.04583 0.14523 -0.34448 0.04156 -0.09636 8 3PY 0.07715 0.15924 0.42982 -0.09081 0.02890 9 3PZ 0.23406 0.03391 0.35091 -0.25940 0.00325 10 4XX 0.09195 0.09083 -0.25620 0.02144 0.06741 11 4YY 0.00073 -0.03997 0.15251 -0.02367 0.00979 12 4ZZ -0.15088 -0.04486 0.15479 0.01757 0.00469 13 4XY 0.06423 -0.00813 -0.02022 0.01090 0.00515 14 4XZ -0.02380 0.05538 -0.14270 0.05769 0.03972 15 4YZ 0.08442 -0.01283 -0.04077 -0.05355 -0.09436 16 2 C 1S 0.02521 -0.01468 -0.05077 0.00064 -0.01786 17 2S 0.37477 -0.05332 -1.35976 0.30877 -0.07736 18 2PX -0.05372 -0.00864 0.04886 0.04026 0.01669 19 2PY 0.08966 0.03650 -0.26534 0.08174 0.01843 20 2PZ -0.00635 0.03262 -0.05703 -0.01844 0.04299 21 3S -0.92647 0.29080 3.36020 -0.33366 0.42545 22 3PX -0.05917 -0.22958 0.14461 0.10547 0.00023 23 3PY -0.57358 -0.21060 1.97254 -0.28011 0.26040 24 3PZ 0.38460 0.01443 0.07928 -0.27492 -0.01277 25 4XX 0.05134 0.00695 0.02777 -0.05671 -0.01802 26 4YY -0.01552 -0.01965 0.02891 0.02554 -0.16643 27 4ZZ -0.06293 0.00066 0.22473 -0.06597 0.19172 28 4XY -0.15030 -0.02468 -0.04521 0.11440 -0.04491 29 4XZ 0.03779 0.03446 -0.07092 -0.01856 -0.11935 30 4YZ -0.02558 0.00003 -0.02010 -0.01541 0.05937 31 3 C 1S -0.02518 0.01468 0.05078 -0.00063 -0.01786 32 2S -0.37466 0.05322 1.35986 -0.30877 -0.07758 33 2PX 0.05365 0.00867 -0.04874 -0.04029 0.01668 34 2PY 0.08972 0.03651 -0.26533 0.08174 -0.01836 35 2PZ 0.00637 -0.03263 0.05689 0.01844 0.04298 36 3S 0.92552 -0.29059 -3.36068 0.33351 0.42574 37 3PX 0.05911 0.22956 -0.14479 -0.10537 0.00030 38 3PY -0.57326 -0.21060 1.97263 -0.28014 -0.26074 39 3PZ -0.38470 -0.01436 -0.07893 0.27473 -0.01278 40 4XX -0.05114 -0.00697 -0.02789 0.05666 -0.01805 41 4YY 0.01527 0.01975 -0.02868 -0.02546 -0.16638 42 4ZZ 0.06299 -0.00071 -0.22484 0.06596 0.19176 43 4XY -0.15017 -0.02465 -0.04538 0.11438 0.04498 44 4XZ -0.03763 -0.03449 0.07089 0.01863 -0.11930 45 4YZ -0.02558 0.00007 -0.01996 -0.01538 -0.05951 46 4 C 1S -0.00593 -0.01126 0.03357 -0.00078 0.00612 47 2S -0.26035 -0.07229 0.50545 0.00702 -0.26928 48 2PX -0.02308 0.02239 0.01187 0.00401 0.01092 49 2PY -0.00804 -0.03004 0.09945 -0.01655 -0.04627 50 2PZ 0.08628 0.00342 -0.19664 0.02251 0.13510 51 3S 0.18468 0.24996 0.15566 -0.34837 -0.00036 52 3PX -0.04580 -0.14524 0.34439 -0.04153 -0.09647 53 3PY 0.07732 0.15916 0.42993 -0.09078 -0.02896 54 3PZ -0.23421 -0.03383 -0.35102 0.25937 0.00321 55 4XX -0.09207 -0.09080 0.25613 -0.02146 0.06739 56 4YY -0.00081 0.03997 -0.15244 0.02367 0.00972 57 4ZZ 0.15107 0.04482 -0.15478 -0.01755 0.00480 58 4XY 0.06416 -0.00812 -0.02012 0.01089 -0.00511 59 4XZ 0.02369 -0.05537 0.14275 -0.05769 0.03971 60 4YZ 0.08441 -0.01288 -0.04085 -0.05357 0.09437 61 5 H 1S 0.04747 0.08430 -0.14947 -0.00692 -0.03565 62 2S -0.05824 0.05789 -0.00380 0.04984 -0.00682 63 6 H 1S -0.04759 -0.08424 0.14953 0.00690 -0.03568 64 2S 0.05827 -0.05789 0.00384 -0.04986 -0.00684 65 7 C 1S -0.00211 -0.01725 0.04820 0.00495 0.03522 66 2S -0.31557 0.27788 0.86465 -0.23742 0.02484 67 2PX 0.08217 -0.05412 -0.10796 -0.02431 0.21287 68 2PY -0.04990 0.15666 -0.11610 -0.15370 0.14403 69 2PZ -0.07612 0.03823 0.18667 0.02763 -0.07887 70 3S 0.49808 0.67277 -3.60500 -0.15490 -0.72486 71 3PX 0.00163 -0.79709 0.36929 0.77049 0.38390 72 3PY -0.06812 0.67736 -1.45902 -0.33650 -0.20831 73 3PZ 0.48472 0.09164 -1.56836 -0.42274 -0.54787 74 4XX 0.04141 0.38387 -0.05025 0.24745 -0.08911 75 4YY -0.08105 0.23529 -0.13768 -0.23381 0.08978 76 4ZZ 0.10145 -0.66166 0.03993 0.00373 0.04280 77 4XY 0.24095 -0.17471 -0.00355 0.43038 0.05003 78 4XZ 0.05381 0.05142 -0.13009 0.07099 0.38289 79 4YZ 0.27269 0.03697 0.05439 0.38532 -0.02211 80 8 C 1S 0.00210 0.01724 -0.04821 -0.00495 0.03523 81 2S 0.31558 -0.27781 -0.86479 0.23738 0.02506 82 2PX -0.08217 0.05406 0.10802 0.02431 0.21280 83 2PY -0.04988 0.15666 -0.11605 -0.15364 -0.14396 84 2PZ 0.07612 -0.03815 -0.18672 -0.02768 -0.07881 85 3S -0.49802 -0.67269 3.60529 0.15497 -0.72551 86 3PX -0.00170 0.79719 -0.36920 -0.77068 0.38397 87 3PY -0.06807 0.67748 -1.45935 -0.33666 0.20876 88 3PZ -0.48465 -0.09155 1.56808 0.42281 -0.54811 89 4XX -0.04147 -0.38381 0.05025 -0.24751 -0.08915 90 4YY 0.08091 -0.23533 0.13767 0.23368 0.08967 91 4ZZ -0.10132 0.66162 -0.03992 -0.00352 0.04290 92 4XY 0.24097 -0.17471 -0.00358 0.43039 -0.05005 93 4XZ -0.05384 -0.05147 0.13023 -0.07097 0.38282 94 4YZ 0.27277 0.03668 0.05450 0.38543 0.02218 95 9 H 1S -0.03250 0.07606 -0.08008 0.04842 0.08550 96 2S 0.14737 0.08456 -0.41568 0.09960 0.05679 97 10 H 1S 0.03268 -0.07612 0.07996 -0.04843 0.08547 98 2S -0.14743 -0.08458 0.41578 -0.09960 0.05667 99 11 C 1S 0.03941 0.01903 -0.05938 -0.02279 0.01116 100 2S 0.22532 0.12018 -0.62875 -0.30953 0.06242 101 2PX 0.03932 -0.02031 -0.08236 0.08461 0.02797 102 2PY 0.04876 0.02431 0.01855 -0.03704 -0.04629 103 2PZ -0.01621 -0.00560 0.04557 0.00684 -0.02314 104 3S -1.61715 -0.64665 3.58785 0.85198 -0.27495 105 3PX 0.67867 0.25502 -0.36145 -0.79634 0.14047 106 3PY 0.41759 0.32986 -0.95398 -0.26350 0.01712 107 3PZ -0.00550 -0.00429 0.90858 -0.27142 -0.08398 108 4XX 0.49433 0.11692 0.24203 -0.31486 -0.01620 109 4YY -0.14922 -0.08593 0.00059 0.11123 -0.01317 110 4ZZ -0.33127 -0.01922 -0.14417 0.26082 0.04192 111 4XY 0.18558 -0.02835 0.21205 -0.05986 0.06263 112 4XZ 0.11222 0.01624 0.02125 -0.13495 0.05706 113 4YZ 0.37738 0.05250 -0.18155 -0.13088 -0.01918 114 12 H 1S 0.45614 0.09718 -0.08276 -0.31384 0.00654 115 2S -0.06301 -0.04384 0.06268 -0.05507 -0.01007 116 13 H 1S -0.33632 -0.05018 -0.39294 0.27366 -0.02142 117 2S 0.01503 -0.07695 -0.07877 0.18952 -0.00030 118 14 C 1S -0.03943 -0.01903 0.05939 0.02279 0.01115 119 2S -0.22542 -0.12014 0.62879 0.30944 0.06239 120 2PX -0.03937 0.02030 0.08234 -0.08458 0.02795 121 2PY 0.04873 0.02432 0.01857 -0.03708 0.04632 122 2PZ 0.01627 0.00561 -0.04557 -0.00686 -0.02313 123 3S 1.61774 0.64663 -3.58792 -0.85193 -0.27452 124 3PX -0.67899 -0.25503 0.36178 0.79629 0.14050 125 3PY 0.41731 0.32976 -0.95371 -0.26331 -0.01686 126 3PZ 0.00575 0.00433 -0.90884 0.27142 -0.08389 127 4XX -0.49441 -0.11696 -0.24214 0.31488 -0.01618 128 4YY 0.14912 0.08592 -0.00038 -0.11121 -0.01316 129 4ZZ 0.33144 0.01926 0.14405 -0.26084 0.04187 130 4XY 0.18544 -0.02841 0.21199 -0.05971 -0.06267 131 4XZ -0.11254 -0.01624 -0.02109 0.13501 0.05708 132 4YZ 0.37729 0.05250 -0.18157 -0.13083 0.01923 133 15 H 1S -0.45615 -0.09720 0.08276 0.31383 0.00654 134 2S 0.06298 0.04383 -0.06272 0.05509 -0.01004 135 16 H 1S 0.33635 0.05018 0.39293 -0.27364 -0.02146 136 2S -0.01504 0.07692 0.07874 -0.18948 -0.00031 137 17 H 1S 0.06759 -0.22017 0.12526 0.21412 0.04132 138 2S -0.04537 -0.13782 0.45804 0.20326 -0.21089 139 18 H 1S -0.06758 0.22011 -0.12523 -0.21410 0.04135 140 2S 0.04542 0.13778 -0.45809 -0.20321 -0.21079 141 19 O 1S 0.00432 0.00645 -0.00307 0.00866 -0.05992 142 2S -0.05240 0.12602 -0.01332 -0.09585 -0.88799 143 2PX -0.00546 -0.01810 0.02183 -0.00400 0.02162 144 2PY -0.04876 0.04545 0.02105 -0.04004 -0.08841 145 2PZ 0.00584 -0.07364 -0.00268 0.02448 -0.01893 146 3S -0.14277 -0.46283 0.69233 0.28289 2.91875 147 3PX -0.07744 0.06043 0.31774 0.14786 0.12641 148 3PY 0.11246 -0.20597 -0.01291 0.04837 1.22964 149 3PZ -0.02301 0.34438 -0.10275 -0.12668 -0.15617 150 4XX 0.08714 0.43090 0.12613 0.24978 -0.20938 151 4YY 0.04329 -0.03492 -0.15330 -0.01671 0.38897 152 4ZZ -0.11161 -0.33001 -0.01617 -0.20988 -0.45730 153 4XY 0.01618 -0.01555 -0.06780 0.04717 -0.07643 154 4XZ -0.03079 0.14818 0.32946 0.17590 -0.29701 155 4YZ -0.16176 0.30296 -0.06326 -0.16872 -0.11697 156 20 O 1S -0.00431 -0.00645 0.00306 -0.00866 -0.05992 157 2S 0.05252 -0.12595 0.01317 0.09597 -0.88786 158 2PX 0.00548 0.01809 -0.02181 0.00402 0.02163 159 2PY -0.04876 0.04543 0.02107 -0.04004 0.08840 160 2PZ -0.00582 0.07363 0.00268 -0.02448 -0.01890 161 3S 0.14237 0.46264 -0.69188 -0.28332 2.91854 162 3PX 0.07734 -0.06030 -0.31782 -0.14796 0.12645 163 3PY 0.11262 -0.20584 -0.01314 0.04851 -1.22946 164 3PZ 0.02296 -0.34435 0.10271 0.12664 -0.15644 165 4XX -0.08714 -0.43091 -0.12615 -0.24976 -0.20943 166 4YY -0.04329 0.03486 0.15340 0.01671 0.38885 167 4ZZ 0.11165 0.33010 0.01604 0.20989 -0.45715 168 4XY 0.01624 -0.01568 -0.06765 0.04726 0.07647 169 4XZ 0.03084 -0.14814 -0.32951 -0.17587 -0.29688 170 4YZ -0.16163 0.30277 -0.06311 -0.16866 0.11716 171 21 C 1S 0.00000 -0.00001 0.00001 0.00000 0.06993 172 2S 0.00004 0.00001 -0.00002 0.00005 -0.52144 173 2PX 0.00004 0.00003 -0.00005 0.00004 -0.55439 174 2PY 0.03669 0.03961 -0.07815 -0.03365 0.00004 175 2PZ -0.00001 0.00000 0.00003 -0.00001 0.23172 176 3S 0.00011 0.00019 -0.00028 0.00007 -2.02851 177 3PX 0.00006 0.00002 -0.00009 0.00007 -0.79008 178 3PY 0.01456 0.01451 -0.18209 -0.15532 -0.00003 179 3PZ 0.00003 -0.00004 -0.00002 0.00002 0.12642 180 4XX 0.00013 -0.00013 0.00002 0.00009 -0.23353 181 4YY 0.00004 0.00005 0.00003 0.00004 0.04861 182 4ZZ -0.00018 0.00006 -0.00003 -0.00013 0.36125 183 4XY -0.08029 0.03106 -0.23883 -0.26927 -0.00006 184 4XZ 0.00010 -0.00011 0.00008 0.00002 0.43924 185 4YZ -0.14737 0.03225 -0.17274 -0.22902 -0.00004 186 22 H 1S 0.00009 -0.00007 0.00005 0.00004 0.09869 187 2S -0.00006 0.00002 0.00003 -0.00004 0.16894 188 23 H 1S -0.00006 0.00006 -0.00002 -0.00002 -0.05132 189 2S 0.00004 -0.00007 0.00002 0.00003 0.09249 166 167 168 169 170 V V V V V Eigenvalues -- 2.63365 2.64875 2.67413 2.69191 2.70152 1 1 C 1S 0.03413 -0.09824 -0.01674 -0.02484 0.03176 2 2S 0.01162 -0.30059 -0.03267 0.09102 -0.02886 3 2PX -0.05895 0.02226 0.02890 0.07517 -0.00741 4 2PY 0.28023 0.22322 -0.07152 -0.04759 -0.25999 5 2PZ 0.31087 -0.14282 -0.04401 -0.24032 -0.02433 6 3S -0.97686 5.02830 0.68596 1.02056 -0.61785 7 3PX -0.11733 0.58133 0.31124 0.10574 0.14355 8 3PY 0.03701 1.51082 -0.19743 -0.40683 -0.46436 9 3PZ 0.54174 -1.79931 -0.53084 -0.46978 -0.13114 10 4XX 0.27184 -0.60352 -0.01111 -0.11511 0.16649 11 4YY -0.12324 0.52903 -0.12857 -0.21176 -0.48014 12 4ZZ -0.17628 0.09109 0.07264 0.44488 0.32383 13 4XY 0.06320 0.11777 -0.26692 -0.07480 0.30695 14 4XZ -0.01303 -0.27532 -0.31292 -0.26526 0.09528 15 4YZ -0.38477 -0.21209 0.24035 0.16969 -0.00818 16 2 C 1S -0.05413 0.05194 0.02389 0.00078 0.03845 17 2S 0.04551 0.62920 0.08561 -0.04816 0.13452 18 2PX -0.00930 0.04058 0.03454 0.13812 -0.04854 19 2PY 0.15263 0.03799 -0.05982 -0.07916 -0.04817 20 2PZ 0.18913 -0.17894 -0.15327 -0.29828 0.10050 21 3S 1.38341 -3.38516 -1.14369 -0.30708 -0.97151 22 3PX 0.05247 -0.08659 -0.27452 0.47237 -0.25844 23 3PY 0.60161 -1.77723 -0.46351 -0.09657 -0.30617 24 3PZ 0.30097 -0.49069 -0.16018 -0.94193 0.14636 25 4XX -0.18381 0.23226 0.17969 0.30631 -0.17230 26 4YY -0.40614 -0.20136 -0.06949 -0.24812 0.04777 27 4ZZ 0.51754 -0.11923 -0.19355 -0.12402 0.13611 28 4XY -0.06495 -0.01226 -0.20371 0.24690 -0.02789 29 4XZ -0.49751 0.14836 -0.13578 -0.23651 0.36048 30 4YZ 0.21658 -0.23656 -0.02096 -0.64363 0.00362 31 3 C 1S -0.05412 -0.05194 -0.02389 0.00078 -0.03846 32 2S 0.04574 -0.62920 -0.08556 -0.04807 -0.13448 33 2PX -0.00928 -0.04059 -0.03460 0.13806 0.04854 34 2PY -0.15270 0.03794 -0.05991 0.07922 -0.04818 35 2PZ 0.18912 0.17892 0.15341 -0.29818 -0.10048 36 3S 1.38303 3.38509 1.14391 -0.30717 0.97181 37 3PX 0.05260 0.08701 0.27447 0.47245 0.25858 38 3PY -0.60154 -1.77724 -0.46360 0.09697 -0.30619 39 3PZ 0.30093 0.49025 0.16055 -0.94192 -0.14644 40 4XX -0.18391 -0.23224 -0.17976 0.30633 0.17226 41 4YY -0.40603 0.20144 0.06951 -0.24846 -0.04790 42 4ZZ 0.51745 0.11913 0.19363 -0.12368 -0.13597 43 4XY 0.06510 -0.01235 -0.20370 -0.24678 -0.02777 44 4XZ -0.49742 -0.14828 0.13580 -0.23657 -0.36065 45 4YZ -0.21694 -0.23653 -0.02129 0.64357 0.00355 46 4 C 1S 0.03416 0.09824 0.01675 -0.02484 -0.03176 47 2S 0.01177 0.30065 0.03266 0.09102 0.02886 48 2PX -0.05888 -0.02229 -0.02892 0.07514 0.00745 49 2PY -0.28022 0.22319 -0.07159 0.04764 -0.26006 50 2PZ 0.31078 0.14283 0.04413 -0.24032 0.02433 51 3S -0.97764 -5.02823 -0.68651 1.02074 0.61772 52 3PX -0.11731 -0.58158 -0.31126 0.10558 -0.14347 53 3PY -0.03673 1.51034 -0.19778 0.40680 -0.46439 54 3PZ 0.54191 1.79962 0.53108 -0.46968 0.13111 55 4XX 0.27200 0.60347 0.01129 -0.11519 -0.16655 56 4YY -0.12359 -0.52893 0.12847 -0.21163 0.48021 57 4ZZ -0.17612 -0.09116 -0.07279 0.44485 -0.32384 58 4XY -0.06310 0.11797 -0.26706 0.07468 0.30680 59 4XZ -0.01312 0.27536 0.31294 -0.26505 -0.09523 60 4YZ 0.38475 -0.21217 0.24058 -0.16977 -0.00791 61 5 H 1S -0.10219 -0.23670 0.04227 -0.12050 -0.05016 62 2S -0.06375 0.54344 0.05480 0.11276 0.04478 63 6 H 1S -0.10217 0.23669 -0.04223 -0.12056 0.05013 64 2S -0.06383 -0.54343 -0.05487 0.11279 -0.04479 65 7 C 1S -0.00055 -0.02800 -0.03238 -0.00367 -0.03665 66 2S -0.09752 -0.06959 0.02609 0.00389 -0.13771 67 2PX -0.07303 0.06511 -0.05220 -0.04973 0.04109 68 2PY -0.01539 0.16750 0.13823 -0.02811 0.24575 69 2PZ -0.02380 -0.00981 0.04918 0.04011 -0.03653 70 3S 0.17608 0.88785 1.13253 0.11536 1.35702 71 3PX -0.05864 0.31576 -0.02487 -0.06620 0.21490 72 3PY 0.01151 0.39832 0.47807 -0.00550 0.74080 73 3PZ 0.14007 -0.01778 0.06090 0.04140 0.13420 74 4XX 0.00115 -0.15796 -0.14296 0.01811 -0.28340 75 4YY 0.00506 0.30323 0.26161 -0.00717 0.47770 76 4ZZ 0.04353 -0.14339 -0.14214 0.01139 -0.14482 77 4XY -0.04982 -0.00768 0.01439 0.04384 0.04210 78 4XZ -0.12473 0.13188 -0.07357 -0.05762 0.03477 79 4YZ 0.03506 0.07098 0.13439 -0.03425 0.16974 80 8 C 1S -0.00057 0.02800 0.03238 -0.00366 0.03665 81 2S -0.09783 0.06955 -0.02612 0.00385 0.13767 82 2PX -0.07298 -0.06514 0.05220 -0.04975 -0.04108 83 2PY 0.01527 0.16749 0.13826 0.02818 0.24573 84 2PZ -0.02388 0.00984 -0.04916 0.04012 0.03657 85 3S 0.17706 -0.88777 -1.13250 0.11533 -1.35701 86 3PX -0.05844 -0.31575 0.02489 -0.06629 -0.21488 87 3PY -0.01194 0.39838 0.47808 0.00554 0.74086 88 3PZ 0.14033 0.01790 -0.06072 0.04152 -0.13399 89 4XX 0.00103 0.15794 0.14293 0.01821 0.28338 90 4YY 0.00529 -0.30327 -0.26165 -0.00734 -0.47776 91 4ZZ 0.04348 0.14344 0.14221 0.01146 0.14490 92 4XY 0.04986 -0.00762 0.01438 -0.04384 0.04213 93 4XZ -0.12461 -0.13191 0.07357 -0.05763 -0.03476 94 4YZ -0.03508 0.07082 0.13427 0.03428 0.16953 95 9 H 1S 0.21215 -0.07820 -0.05457 0.12658 0.00991 96 2S 0.01093 0.32952 0.18035 -0.07054 0.05804 97 10 H 1S 0.21215 0.07820 0.05453 0.12658 -0.00985 98 2S 0.01095 -0.32957 -0.18031 -0.07055 -0.05807 99 11 C 1S 0.02390 0.03327 -0.04117 0.03995 0.00897 100 2S -0.03243 0.11060 0.09433 -0.08822 -0.10477 101 2PX 0.09882 0.07554 0.02225 0.13930 0.11318 102 2PY -0.10495 0.03638 -0.20039 -0.05918 -0.08080 103 2PZ -0.10332 -0.06904 -0.00117 -0.13513 -0.07854 104 3S -0.42203 -1.90188 0.33782 -0.74403 -0.19286 105 3PX 0.21718 0.22258 0.09228 0.26654 0.00281 106 3PY 0.01082 0.55311 -0.58789 -0.23404 -0.51672 107 3PZ -0.14153 -0.36546 -0.32595 -0.26559 -0.41914 108 4XX -0.03599 -0.00310 -0.40770 -0.05017 -0.02423 109 4YY -0.03371 -0.12037 0.64044 0.13768 0.21829 110 4ZZ 0.14038 0.16693 -0.38156 -0.00653 -0.12920 111 4XY 0.17687 -0.07105 -0.09553 0.16356 0.20602 112 4XZ 0.16108 -0.00152 0.01969 0.31311 0.22979 113 4YZ -0.12556 0.05694 0.16682 -0.19234 -0.27276 114 12 H 1S -0.06008 0.00905 0.10635 -0.05581 -0.09902 115 2S 0.05515 0.06568 -0.07644 -0.01119 0.02805 116 13 H 1S -0.04861 0.11853 0.13749 -0.01473 -0.01267 117 2S -0.02626 0.00981 -0.01621 0.00721 0.16676 118 14 C 1S 0.02390 -0.03327 0.04115 0.03998 -0.00897 119 2S -0.03243 -0.11062 -0.09430 -0.08824 0.10477 120 2PX 0.09883 -0.07556 -0.02226 0.13930 -0.11313 121 2PY 0.10502 0.03634 -0.20041 0.05917 -0.08081 122 2PZ -0.10330 0.06904 0.00119 -0.13514 0.07848 123 3S -0.42215 1.90191 -0.33751 -0.74452 0.19270 124 3PX 0.21707 -0.22272 -0.09225 0.26655 -0.00261 125 3PY -0.01059 0.55300 -0.58808 0.23384 -0.51678 126 3PZ -0.14174 0.36558 0.32594 -0.26548 0.41900 127 4XX -0.03601 0.00314 0.40778 -0.04994 0.02416 128 4YY -0.03374 0.12032 -0.64061 0.13729 -0.21812 129 4ZZ 0.14042 -0.16693 0.38161 -0.00629 0.12911 130 4XY -0.17694 -0.07109 -0.09515 -0.16374 0.20608 131 4XZ 0.16103 0.00150 -0.01987 0.31306 -0.22961 132 4YZ 0.12557 0.05699 0.16652 0.19254 -0.27285 133 15 H 1S -0.06012 -0.00903 -0.10632 -0.05584 0.09901 134 2S 0.05514 -0.06568 0.07644 -0.01117 -0.02803 135 16 H 1S -0.04854 -0.11854 -0.13750 -0.01479 0.01265 136 2S -0.02616 -0.00983 0.01620 0.00723 -0.16677 137 17 H 1S -0.07156 0.06436 0.11100 0.00690 0.13243 138 2S 0.09428 0.03090 -0.02659 -0.02253 -0.14490 139 18 H 1S -0.07153 -0.06440 -0.11102 0.00686 -0.13247 140 2S 0.09418 -0.03092 0.02664 -0.02255 0.14491 141 19 O 1S 0.01343 -0.02872 -0.00077 0.00858 -0.01841 142 2S 0.22241 -0.12034 0.13257 0.02274 -0.17851 143 2PX -0.00284 0.04676 0.03851 -0.01589 0.03129 144 2PY 0.02110 0.02674 0.01905 0.00300 0.01288 145 2PZ -0.00242 0.00460 -0.01575 0.00280 -0.01092 146 3S -0.73459 0.60872 -0.29418 -0.16295 0.55976 147 3PX -0.03768 -0.14285 -0.14033 -0.05256 -0.18032 148 3PY -0.31304 0.21025 -0.11303 -0.03581 0.24490 149 3PZ 0.03279 -0.08072 0.06898 0.06906 -0.02534 150 4XX 0.07720 -0.03771 -0.00158 -0.03447 -0.04856 151 4YY -0.15851 0.09903 -0.00945 0.07962 0.15056 152 4ZZ 0.14238 -0.17437 0.00748 -0.00104 -0.11919 153 4XY 0.00329 -0.10303 -0.03275 -0.04737 -0.12652 154 4XZ 0.02793 -0.10521 0.07225 0.08319 -0.09629 155 4YZ 0.02024 -0.05600 -0.00450 0.02039 -0.04135 156 20 O 1S 0.01342 0.02872 0.00077 0.00859 0.01841 157 2S 0.22225 0.12044 -0.13257 0.02279 0.17857 158 2PX -0.00283 -0.04675 -0.03850 -0.01591 -0.03130 159 2PY -0.02110 0.02672 0.01906 -0.00301 0.01286 160 2PZ -0.00243 -0.00460 0.01575 0.00281 0.01091 161 3S -0.73417 -0.60901 0.29416 -0.16318 -0.55991 162 3PX -0.03780 0.14279 0.14031 -0.05253 0.18035 163 3PY 0.31280 0.21033 -0.11302 0.03590 0.24498 164 3PZ 0.03281 0.08074 -0.06900 0.06908 0.02538 165 4XX 0.07712 0.03775 0.00157 -0.03446 0.04860 166 4YY -0.15837 -0.09907 0.00945 0.07959 -0.15061 167 4ZZ 0.14230 0.17440 -0.00746 -0.00102 0.11923 168 4XY -0.00325 -0.10302 -0.03274 0.04734 -0.12656 169 4XZ 0.02777 0.10518 -0.07225 0.08324 0.09624 170 4YZ -0.02027 -0.05605 -0.00448 -0.02037 -0.04138 171 21 C 1S -0.01813 -0.00001 0.00000 0.00096 -0.00001 172 2S 0.09358 -0.00005 0.00000 0.00621 -0.00001 173 2PX 0.13568 0.00000 0.00000 -0.00716 0.00001 174 2PY -0.00008 0.20426 -0.03171 0.00003 0.25232 175 2PZ -0.06338 0.00002 0.00000 0.00812 0.00003 176 3S 0.55658 0.00015 -0.00003 0.01204 0.00011 177 3PX 0.27110 0.00010 0.00000 -0.04994 0.00004 178 3PY -0.00008 0.27724 0.03398 0.00004 0.31152 179 3PZ -0.05902 0.00005 0.00000 -0.00058 0.00002 180 4XX 0.13483 0.00003 0.00001 -0.04561 0.00001 181 4YY -0.07099 0.00003 0.00002 0.02729 0.00006 182 4ZZ -0.08711 -0.00007 -0.00002 -0.00996 -0.00008 183 4XY -0.00008 0.24083 -0.02572 0.00003 0.30095 184 4XZ -0.13228 0.00002 0.00001 0.02867 0.00004 185 4YZ 0.00003 -0.18601 -0.04124 -0.00001 -0.17869 186 22 H 1S -0.02426 -0.00001 0.00001 0.00770 0.00002 187 2S -0.03186 -0.00003 0.00000 -0.01811 -0.00002 188 23 H 1S -0.00398 0.00000 0.00000 0.00061 -0.00001 189 2S 0.00094 0.00003 0.00000 -0.03055 0.00000 171 172 173 174 175 V V V V V Eigenvalues -- 2.75478 2.76755 2.80346 2.88870 2.89677 1 1 C 1S 0.04009 -0.00683 -0.00406 -0.00284 -0.00577 2 2S 0.23154 -0.07712 -0.23611 0.02892 0.00797 3 2PX -0.01062 0.01546 0.00219 0.01022 -0.00757 4 2PY 0.10297 -0.04754 -0.00631 -0.06863 -0.00438 5 2PZ 0.13177 -0.04104 0.08866 -0.06104 -0.01917 6 3S -2.98546 0.29221 -0.54940 0.35897 0.15236 7 3PX -0.51810 0.01643 -0.20614 0.09575 0.01405 8 3PY -0.56419 -0.02839 0.05722 -0.11461 -0.07256 9 3PZ 1.49655 -0.16279 0.28947 -0.31010 -0.06235 10 4XX 0.19136 -0.03664 0.04936 -0.01639 -0.01634 11 4YY 0.14179 0.00669 -0.04347 -0.10205 -0.02344 12 4ZZ -0.31680 0.07790 0.04158 0.10155 0.02980 13 4XY -0.17761 -0.01886 -0.14245 0.00255 -0.00837 14 4XZ 0.08873 -0.00784 -0.02217 -0.02962 0.00276 15 4YZ 0.04741 0.05941 0.03036 0.04505 0.02812 16 2 C 1S -0.06141 -0.00198 -0.03631 0.00855 -0.00699 17 2S -0.71467 -0.02006 -0.69345 0.23850 -0.03903 18 2PX 0.09115 0.01406 0.01626 0.00755 0.00011 19 2PY 0.00835 -0.02066 -0.09558 0.01191 -0.01434 20 2PZ 0.07776 -0.05726 -0.03390 -0.06637 -0.02075 21 3S 3.71141 -0.05265 1.82165 -0.73248 0.16898 22 3PX 0.30023 0.05128 -0.25783 0.09355 0.08885 23 3PY 1.68645 -0.06046 0.93196 -0.35431 0.08175 24 3PZ 0.04748 -0.21170 0.13382 -0.14008 -0.23481 25 4XX -0.04685 0.05627 0.13142 -0.00852 0.02636 26 4YY 0.18337 -0.01415 0.00449 -0.03839 -0.02689 27 4ZZ 0.07069 -0.06629 0.01645 -0.06548 -0.01387 28 4XY 0.15337 0.04111 -0.13475 0.04466 0.03960 29 4XZ -0.37431 0.02769 -0.04930 0.01287 -0.01007 30 4YZ 0.12633 -0.08854 0.02993 -0.09314 -0.06183 31 3 C 1S 0.06141 -0.00201 0.03632 -0.00858 -0.00695 32 2S 0.71473 -0.02027 0.69346 -0.23867 -0.03805 33 2PX -0.09116 0.01408 -0.01621 -0.00756 0.00013 34 2PY 0.00832 0.02065 -0.09559 0.01196 0.01432 35 2PZ -0.07775 -0.05720 0.03394 0.06627 -0.02105 36 3S -3.71133 -0.05110 -1.82176 0.73319 0.16594 37 3PX -0.30054 0.05155 0.25770 -0.09309 0.08939 38 3PY 1.68635 0.05977 0.93193 -0.35470 -0.08032 39 3PZ -0.04704 -0.21174 -0.13347 0.13890 -0.23556 40 4XX 0.04673 0.05624 -0.13148 0.00864 0.02634 41 4YY -0.18330 -0.01412 -0.00452 0.03830 -0.02708 42 4ZZ -0.07063 -0.06620 -0.01634 0.06537 -0.01413 43 4XY 0.15333 -0.04123 -0.13475 0.04447 -0.03981 44 4XZ 0.37425 0.02750 0.04920 -0.01285 -0.01005 45 4YZ 0.12632 0.08848 0.02986 -0.09286 0.06225 46 4 C 1S -0.04009 -0.00682 0.00407 0.00281 -0.00578 47 2S -0.23157 -0.07703 0.23607 -0.02888 0.00810 48 2PX 0.01058 0.01544 -0.00220 -0.01024 -0.00753 49 2PY 0.10298 0.04745 -0.00633 -0.06862 0.00471 50 2PZ -0.13171 -0.04096 -0.08859 0.06093 -0.01944 51 3S 2.98536 0.29115 0.54926 -0.35820 0.15369 52 3PX 0.51816 0.01614 0.20609 -0.09566 0.01442 53 3PY -0.56380 0.02862 0.05731 -0.11434 0.07332 54 3PZ -1.49666 -0.16216 -0.28938 0.30977 -0.06371 55 4XX -0.19129 -0.03661 -0.04928 0.01631 -0.01641 56 4YY -0.14185 0.00689 0.04343 0.10192 -0.02392 57 4ZZ 0.31679 0.07769 -0.04163 -0.10137 0.03026 58 4XY -0.17761 0.01889 -0.14248 0.00256 0.00837 59 4XZ -0.08871 -0.00774 0.02215 0.02961 0.00266 60 4YZ 0.04730 -0.05940 0.03045 0.04497 -0.02838 61 5 H 1S 0.10427 0.00498 0.00491 -0.00118 -0.00085 62 2S -0.36882 0.02769 -0.07092 0.05306 0.00954 63 6 H 1S -0.10426 0.00500 -0.00492 0.00117 -0.00084 64 2S 0.36881 0.02752 0.07090 -0.05302 0.00974 65 7 C 1S -0.01739 0.02572 0.10053 -0.00370 0.02891 66 2S 0.00419 -0.06320 0.63334 -0.20488 -0.20167 67 2PX -0.02883 0.22951 0.24527 -0.13208 0.32623 68 2PY 0.27683 0.17632 -0.24855 -0.23369 0.09528 69 2PZ -0.02604 -0.18634 -0.01824 0.07509 -0.23205 70 3S 0.62712 -0.64846 -5.68931 0.65208 -0.96300 71 3PX 0.14728 0.23311 0.84050 -0.12233 0.41124 72 3PY 0.66028 0.15119 -2.19772 0.18202 0.30189 73 3PZ -0.16867 -0.24501 -1.97504 0.39331 -0.33927 74 4XX -0.38269 0.02212 0.14740 0.16348 -0.23977 75 4YY 0.60764 -0.04228 -0.44175 -0.44532 0.21298 76 4ZZ -0.10281 0.01671 0.14846 0.30431 -0.04933 77 4XY 0.04843 -0.21663 0.03089 -0.44390 -0.14475 78 4XZ -0.09801 0.22502 0.35902 -0.18965 0.38451 79 4YZ 0.21488 0.23307 -0.20339 0.54181 0.09432 80 8 C 1S 0.01740 0.02570 -0.10054 0.00383 0.02890 81 2S -0.00430 -0.06331 -0.63343 0.20399 -0.20255 82 2PX 0.02902 0.22945 -0.24531 0.13354 0.32563 83 2PY 0.27675 -0.17645 -0.24854 -0.23410 -0.09421 84 2PZ 0.02599 -0.18637 0.01818 -0.07619 -0.23171 85 3S -0.62737 -0.64734 5.68968 -0.65642 -0.96022 86 3PX -0.14720 0.23330 -0.84052 0.12415 0.41078 87 3PY 0.66009 -0.15183 -2.19808 0.18076 -0.30254 88 3PZ 0.16885 -0.24498 1.97457 -0.39479 -0.33765 89 4XX 0.38268 0.02179 -0.14736 -0.16459 -0.23908 90 4YY -0.60773 -0.04179 0.44184 0.44604 0.21111 91 4ZZ 0.10292 0.01665 -0.14856 -0.30427 -0.04801 92 4XY 0.04852 0.21663 0.03098 -0.44327 0.14656 93 4XZ 0.09815 0.22496 -0.35900 0.19125 0.38370 94 4YZ 0.21451 -0.23326 -0.20313 0.54158 -0.09664 95 9 H 1S 0.12088 -0.01525 -0.00919 -0.01745 0.00374 96 2S -0.40307 -0.00144 -0.13129 0.08984 0.03030 97 10 H 1S -0.12091 -0.01521 0.00923 0.01747 0.00365 98 2S 0.40309 -0.00168 0.13135 -0.08970 0.03062 99 11 C 1S -0.04107 0.00381 -0.02653 0.00789 0.00897 100 2S -0.30563 0.06489 -0.18187 0.03314 0.08215 101 2PX -0.09182 -0.00980 -0.04023 0.02267 -0.00203 102 2PY 0.10020 -0.00975 -0.03299 0.01448 -0.02573 103 2PZ 0.12907 -0.00324 0.02936 -0.00382 -0.01684 104 3S 2.30929 -0.15675 1.41872 -0.41578 -0.29634 105 3PX -0.86208 0.11226 -0.16081 -0.05251 0.17946 106 3PY -0.06850 -0.03090 -0.48416 0.12863 -0.02570 107 3PZ 0.59037 -0.04393 0.19846 -0.06244 -0.06533 108 4XX 0.10758 -0.00547 -0.06038 0.00154 -0.02327 109 4YY -0.28577 0.01140 0.13274 -0.03257 0.01687 110 4ZZ 0.18438 -0.03011 -0.05833 0.04679 -0.00454 111 4XY -0.05974 0.02089 -0.00156 -0.00801 0.02346 112 4XZ -0.23438 0.03210 0.01064 -0.03171 0.03970 113 4YZ 0.06902 -0.00252 -0.01761 0.01265 -0.00452 114 12 H 1S -0.15923 0.03407 -0.04616 -0.00615 0.03496 115 2S -0.02304 -0.04117 -0.01940 0.03648 -0.02689 116 13 H 1S -0.04771 -0.00819 -0.04931 0.04264 -0.00130 117 2S 0.04727 -0.02373 -0.06043 0.05307 -0.04008 118 14 C 1S 0.04107 0.00379 0.02652 -0.00785 0.00900 119 2S 0.30568 0.06470 0.18188 -0.03281 0.08228 120 2PX 0.09179 -0.00983 0.04023 -0.02267 -0.00195 121 2PY 0.10026 0.00969 -0.03297 0.01459 0.02566 122 2PZ -0.12906 -0.00319 -0.02936 0.00375 -0.01685 123 3S -2.30934 -0.15561 -1.41868 0.41447 -0.29787 124 3PX 0.86215 0.11172 0.16093 0.05326 0.17912 125 3PY -0.06819 0.03092 -0.48414 0.12875 0.02522 126 3PZ -0.59039 -0.04359 -0.19855 0.06219 -0.06548 127 4XX -0.10755 -0.00540 0.06035 -0.00164 -0.02323 128 4YY 0.28571 0.01120 -0.13275 0.03265 0.01667 129 4ZZ -0.18439 -0.02996 0.05836 -0.04679 -0.00432 130 4XY -0.05990 -0.02088 -0.00149 -0.00813 -0.02346 131 4XZ 0.23438 0.03197 -0.01065 0.03188 0.03954 132 4YZ 0.06918 0.00253 -0.01765 0.01269 0.00448 133 15 H 1S 0.15925 0.03396 0.04614 0.00630 0.03492 134 2S 0.02303 -0.04113 0.01941 -0.03659 -0.02670 135 16 H 1S 0.04770 -0.00821 0.04932 -0.04264 -0.00113 136 2S -0.04728 -0.02366 0.06041 -0.05324 -0.03983 137 17 H 1S 0.19039 -0.04276 -0.15221 0.32106 0.04632 138 2S -0.17953 0.04748 0.67131 -0.26523 0.01427 139 18 H 1S -0.19043 -0.04254 0.15224 -0.32086 0.04774 140 2S 0.17962 0.04730 -0.67139 0.26529 0.01313 141 19 O 1S -0.01467 -0.04985 -0.04007 -0.02617 0.00115 142 2S -0.26057 -0.36227 -0.94369 0.06573 -0.02156 143 2PX 0.01768 -0.00628 -0.05332 0.03039 -0.04159 144 2PY 0.02376 0.07155 -0.04089 0.03672 0.04486 145 2PZ -0.01768 -0.00743 0.00701 -0.02091 0.02916 146 3S 0.82331 1.47235 3.20301 0.03523 0.05305 147 3PX -0.14457 0.21225 0.49509 -0.33125 1.16918 148 3PY 0.28261 0.22327 1.09307 -0.06726 -0.40307 149 3PZ 0.00186 -0.21681 -0.27007 0.14232 -0.74089 150 4XX -0.04760 0.43946 0.08279 -0.00717 0.12984 151 4YY 0.17841 -0.49109 0.28938 -0.16347 -0.29218 152 4ZZ -0.09560 -0.15925 -0.39870 -0.01145 0.23158 153 4XY -0.21371 -0.17147 -0.17593 -0.45551 0.72985 154 4XZ -0.04532 -0.50857 -0.22181 -0.15670 -0.27733 155 4YZ -0.02083 0.04610 0.02962 0.26717 -0.42564 156 20 O 1S 0.01465 -0.04985 0.04008 0.02617 0.00103 157 2S 0.26050 -0.36230 0.94389 -0.06590 -0.02139 158 2PX -0.01771 -0.00624 0.05329 -0.03058 -0.04147 159 2PY 0.02367 -0.07156 -0.04093 0.03651 -0.04504 160 2PZ 0.01769 -0.00745 -0.00702 0.02106 0.02907 161 3S -0.82290 1.47242 -3.20362 -0.03472 0.05365 162 3PX 0.14474 0.21220 -0.49507 0.33637 1.16753 163 3PY 0.28271 -0.22320 1.09325 -0.06555 0.40334 164 3PZ -0.00197 -0.21692 0.27031 -0.14561 -0.74007 165 4XX 0.04792 0.43936 -0.08284 0.00774 0.12988 166 4YY -0.17877 -0.49101 -0.28937 0.16207 -0.29299 167 4ZZ 0.09559 -0.15923 0.39883 0.01257 0.23156 168 4XY -0.21365 0.17168 -0.17601 -0.45873 -0.72766 169 4XZ 0.04499 -0.50851 0.22184 0.15530 -0.27818 170 4YZ -0.02087 -0.04613 0.02950 0.26905 0.42429 171 21 C 1S 0.00000 0.02964 -0.00002 -0.00017 -0.07565 172 2S 0.00002 -0.04883 -0.00003 0.00049 0.24773 173 2PX 0.00000 -0.10822 0.00001 0.00085 0.41029 174 2PY 0.32325 0.00001 0.68827 0.28774 -0.00075 175 2PZ 0.00004 0.03154 0.00008 -0.00026 -0.13346 176 3S -0.00002 -0.80457 0.00037 0.00451 2.09086 177 3PX 0.00003 -0.01693 0.00004 0.00103 0.48091 178 3PY 0.36169 -0.00003 0.41802 0.31162 -0.00077 179 3PZ 0.00003 -0.00427 -0.00004 -0.00023 -0.13862 180 4XX 0.00013 0.49025 -0.00010 -0.00034 -0.14622 181 4YY -0.00013 -0.73193 0.00017 0.00124 0.57306 182 4ZZ -0.00004 0.30944 -0.00015 -0.00097 -0.45031 183 4XY 0.37871 0.00001 0.64679 0.27623 -0.00070 184 4XZ 0.00003 -0.07886 0.00008 -0.00006 -0.03917 185 4YZ -0.21383 -0.00008 -0.24197 0.02164 0.00014 186 22 H 1S 0.00001 -0.06417 0.00003 0.00002 0.01026 187 2S 0.00001 0.18125 -0.00003 -0.00039 -0.17267 188 23 H 1S -0.00004 -0.09587 -0.00001 -0.00012 -0.05689 189 2S 0.00004 0.19046 -0.00006 -0.00027 -0.12888 176 177 178 179 180 V V V V V Eigenvalues -- 2.94339 3.13275 3.13758 4.01184 4.12433 1 1 C 1S 0.00194 0.03545 -0.04250 0.01057 0.02414 2 2S -0.01621 -0.24356 -0.02639 -0.10519 -0.29709 3 2PX -0.06402 -0.00054 0.00423 -0.01507 0.03564 4 2PY 0.40653 -0.03706 0.05013 -0.00437 0.02148 5 2PZ 0.24609 0.10814 -0.05050 0.02216 -0.05310 6 3S -0.21722 -1.38543 1.17632 -0.05919 0.98198 7 3PX -0.16140 -0.34365 0.13384 -0.01875 0.10271 8 3PY 1.38257 -0.31129 0.32678 0.00333 0.27393 9 3PZ 0.97352 0.63010 -0.45369 0.03592 -0.48297 10 4XX -0.00479 0.24459 -0.22838 0.06147 0.06753 11 4YY 0.64554 -0.23474 0.28335 0.04517 0.22422 12 4ZZ -0.62301 0.15383 -0.09393 0.01946 0.19074 13 4XY 0.13844 0.05699 -0.14547 -0.01291 -0.00193 14 4XZ 0.18799 -0.05253 0.07164 0.02766 -0.03249 15 4YZ -0.36653 -0.47016 0.54603 -0.00452 0.02983 16 2 C 1S -0.00653 -0.05213 0.02010 0.02128 -0.00052 17 2S 0.09692 -0.35710 -0.32855 -0.35012 0.48892 18 2PX -0.12177 0.00976 0.02300 -0.00068 -0.00825 19 2PY 0.12832 0.00594 -0.09201 -0.01531 0.00353 20 2PZ 0.31022 0.10856 -0.17199 0.01099 -0.03405 21 3S 0.71203 2.19389 -0.31358 0.34432 -1.33240 22 3PX -0.58025 0.09644 -0.21529 0.02607 0.03087 23 3PY 0.20453 1.00324 -0.07231 0.22750 -0.79760 24 3PZ 1.32169 -0.06920 -0.12056 -0.14594 0.02951 25 4XX -0.20192 0.04299 0.10822 0.15654 -0.15516 26 4YY 0.06399 -0.29902 0.37349 0.12159 -0.12569 27 4ZZ 0.21672 0.32916 -0.32812 0.15168 -0.18014 28 4XY -0.24070 -0.02016 -0.00173 0.00231 0.00909 29 4XZ 0.06486 -0.27471 0.27255 -0.01695 0.08258 30 4YZ 0.56786 -0.01065 -0.00956 -0.02034 -0.01426 31 3 C 1S 0.00653 0.05214 -0.02010 0.02129 0.00034 32 2S -0.09693 0.35707 0.32852 -0.35019 -0.48789 33 2PX 0.12174 -0.00973 -0.02295 -0.00071 0.00824 34 2PY 0.12841 0.00595 -0.09205 0.01532 0.00350 35 2PZ -0.31019 -0.10853 0.17198 0.01098 0.03408 36 3S -0.71205 -2.19394 0.31348 0.34440 1.33313 37 3PX 0.58016 -0.09664 0.21535 0.02621 -0.03067 38 3PY 0.20498 1.00321 -0.07229 -0.22756 -0.79766 39 3PZ -1.32176 0.06950 0.12061 -0.14615 -0.02981 40 4XX 0.20202 -0.04300 -0.10827 0.15657 0.15458 41 4YY -0.06428 0.29905 -0.37345 0.12160 0.12499 42 4ZZ -0.21652 -0.32913 0.32815 0.15171 0.17955 43 4XY -0.24060 -0.02028 -0.00159 -0.00230 0.00907 44 4XZ -0.06504 0.27466 -0.27254 -0.01695 -0.08262 45 4YZ 0.56790 -0.01045 -0.00981 0.02034 -0.01425 46 4 C 1S -0.00195 -0.03544 0.04250 0.01058 -0.02433 47 2S 0.01619 0.24353 0.02638 -0.10532 0.29837 48 2PX 0.06393 0.00054 -0.00423 -0.01507 -0.03561 49 2PY 0.40660 -0.03704 0.05013 0.00434 0.02144 50 2PZ -0.24600 -0.10812 0.05052 0.02216 0.05305 51 3S 0.21730 1.38534 -1.17637 -0.05904 -0.98165 52 3PX 0.16110 0.34370 -0.13390 -0.01879 -0.10282 53 3PY 1.38283 -0.31112 0.32663 -0.00329 0.27386 54 3PZ -0.97325 -0.63015 0.45378 0.03586 0.48314 55 4XX 0.00472 -0.24460 0.22843 0.06149 -0.06824 56 4YY -0.64534 0.23495 -0.28360 0.04524 -0.22490 57 4ZZ 0.62288 -0.15401 0.09413 0.01952 -0.19143 58 4XY 0.13863 0.05687 -0.14532 0.01291 -0.00190 59 4XZ -0.18786 0.05265 -0.07179 0.02767 0.03248 60 4YZ -0.36690 -0.47003 0.54592 0.00453 0.02980 61 5 H 1S 0.00507 -0.21475 0.21442 0.00765 -0.02684 62 2S -0.02161 -0.06655 -0.00719 -0.00078 0.14027 63 6 H 1S -0.00508 0.21476 -0.21442 0.00763 0.02692 64 2S 0.02161 0.06656 0.00719 -0.00078 -0.14048 65 7 C 1S 0.00367 0.05434 0.03780 0.00126 0.08505 66 2S 0.00776 0.11724 0.14647 0.15162 -0.85796 67 2PX -0.01490 0.28906 0.27617 0.06703 -0.15700 68 2PY -0.01928 0.18231 0.14678 0.04210 0.10574 69 2PZ 0.00818 -0.16429 -0.12541 0.02323 0.05909 70 3S -0.26702 -2.62509 -2.08919 -0.95612 2.92250 71 3PX 0.17787 0.84822 0.76514 0.33903 -1.42620 72 3PY -0.16186 -0.37616 -0.22300 0.07606 0.59834 73 3PZ -0.15792 -1.38041 -1.23351 -0.43849 1.69735 74 4XX 0.01334 -0.19929 -0.17152 0.01436 0.46968 75 4YY -0.04307 0.19533 0.14081 -0.01772 0.52880 76 4ZZ 0.02469 0.01160 -0.04005 0.01127 0.39908 77 4XY -0.08451 -0.33241 -0.31362 0.07760 -0.00815 78 4XZ -0.00132 0.36047 0.34532 0.05411 -0.15226 79 4YZ 0.10923 0.27015 0.22162 -0.06954 0.01170 80 8 C 1S -0.00367 -0.05435 -0.03781 0.00127 -0.08519 81 2S -0.00774 -0.11727 -0.14654 0.15170 0.85905 82 2PX 0.01490 -0.28906 -0.27619 0.06704 0.15706 83 2PY -0.01927 0.18228 0.14674 -0.04212 0.10567 84 2PZ -0.00818 0.16432 0.12542 0.02322 -0.05908 85 3S 0.26692 2.62533 2.08943 -0.95632 -2.92263 86 3PX -0.17789 -0.84830 -0.76516 0.33905 1.42632 87 3PY -0.16196 -0.37644 -0.22320 -0.07590 0.59866 88 3PZ 0.15787 1.38040 1.23351 -0.43863 -1.69737 89 4XX -0.01334 0.19933 0.17155 0.01434 -0.47036 90 4YY 0.04302 -0.19546 -0.14092 -0.01775 -0.52935 91 4ZZ -0.02463 -0.01153 0.04011 0.01129 -0.39967 92 4XY -0.08451 -0.33234 -0.31354 -0.07760 -0.00817 93 4XZ 0.00130 -0.36056 -0.34539 0.05412 0.15229 94 4YZ 0.10923 0.27011 0.22158 0.06951 0.01164 95 9 H 1S 0.01989 -0.12497 0.16482 -0.01643 -0.00047 96 2S -0.04838 -0.11958 -0.09068 0.10148 0.20441 97 10 H 1S -0.01990 0.12496 -0.16483 -0.01644 0.00056 98 2S 0.04838 0.11958 0.09068 0.10143 -0.20457 99 11 C 1S 0.00079 -0.04247 0.01462 -0.00348 -0.01415 100 2S -0.02983 -0.23156 -0.15360 0.15359 0.53108 101 2PX 0.07581 -0.06199 0.06472 0.01319 -0.00694 102 2PY -0.12475 0.03599 -0.03852 -0.02595 0.00335 103 2PZ -0.08796 0.08293 -0.04310 -0.02071 -0.05047 104 3S -0.15514 1.84675 -0.02736 -0.26566 -1.18518 105 3PX 0.49737 -0.57174 -0.12095 0.15416 0.62697 106 3PY -0.75711 -0.29872 -0.13930 -0.01248 0.38966 107 3PZ -0.25196 0.29491 -0.04200 -0.08374 -0.13367 108 4XX -0.18935 0.02245 -0.00566 -0.07038 -0.17175 109 4YY 0.36489 0.03014 -0.00686 -0.03275 -0.20867 110 4ZZ -0.18384 -0.05644 0.13576 -0.05665 -0.18956 111 4XY 0.07599 -0.15431 0.18497 0.01805 0.00116 112 4XZ 0.22098 -0.11095 0.06758 0.04178 0.05871 113 4YZ -0.09464 0.12339 -0.17092 -0.00162 -0.00195 114 12 H 1S 0.02204 -0.07027 -0.10049 0.03223 0.12414 115 2S 0.02854 -0.04621 0.10962 -0.02980 -0.03722 116 13 H 1S -0.01128 -0.01645 -0.00715 0.00452 0.00958 117 2S -0.03330 0.02635 0.06463 -0.02361 -0.18400 118 14 C 1S -0.00079 0.04246 -0.01462 -0.00349 0.01394 119 2S 0.02983 0.23157 0.15362 0.15357 -0.52973 120 2PX -0.07578 0.06198 -0.06472 0.01317 0.00693 121 2PY -0.12479 0.03603 -0.03854 0.02596 0.00337 122 2PZ 0.08793 -0.08292 0.04309 -0.02070 0.05048 123 3S 0.15510 -1.84671 0.02741 -0.26544 1.18561 124 3PX -0.49719 0.57180 0.12097 0.15407 -0.62688 125 3PY -0.75726 -0.29853 -0.13929 0.01251 0.38946 126 3PZ 0.25182 -0.29494 0.04199 -0.08367 0.13362 127 4XX 0.18933 -0.02239 0.00558 -0.07037 0.17089 128 4YY -0.36483 -0.03026 0.00699 -0.03276 0.20795 129 4ZZ 0.18380 0.05648 -0.13583 -0.05665 0.18873 130 4XY 0.07620 -0.15433 0.18499 -0.01806 0.00116 131 4XZ -0.22094 0.11089 -0.06750 0.04177 -0.05873 132 4YZ -0.09480 0.12340 -0.17092 0.00163 -0.00198 133 15 H 1S -0.02204 0.07026 0.10050 0.03222 -0.12405 134 2S -0.02853 0.04624 -0.10961 -0.02980 0.03699 135 16 H 1S 0.01129 0.01646 0.00715 0.00452 -0.00949 136 2S 0.03330 -0.02635 -0.06464 -0.02360 0.18375 137 17 H 1S 0.08594 0.13718 0.10025 0.08416 0.01879 138 2S 0.01991 0.20342 0.21251 -0.07806 -0.50141 139 18 H 1S -0.08594 -0.13717 -0.10026 0.08417 -0.01872 140 2S -0.01989 -0.20345 -0.21256 -0.07803 0.50135 141 19 O 1S -0.00818 0.00901 0.00163 -0.39388 0.40271 142 2S -0.02821 -0.37936 -0.31922 -0.40220 0.63392 143 2PX 0.02230 -0.01398 -0.00488 -0.04678 0.04925 144 2PY -0.00406 0.02352 0.02236 -0.13947 0.16609 145 2PZ -0.00995 -0.01891 -0.01592 0.04422 -0.03966 146 3S 0.23023 1.26436 1.14197 4.81461 -5.56198 147 3PX -0.00838 1.19534 1.04451 0.11548 -0.85413 148 3PY 0.05890 0.01988 0.00983 0.97382 -0.87147 149 3PZ -0.01641 -0.65579 -0.58349 -0.16602 0.61624 150 4XX 0.00293 0.35194 0.29743 -1.26879 1.15518 151 4YY -0.03989 -0.25961 -0.24326 -1.17540 1.26418 152 4ZZ -0.00589 0.19257 0.14271 -1.33772 1.38003 153 4XY -0.03958 0.36823 0.32378 -0.09149 -0.14417 154 4XZ -0.03679 -0.33621 -0.30738 -0.08600 0.24426 155 4YZ 0.02817 -0.19810 -0.16598 0.00700 0.11714 156 20 O 1S 0.00818 -0.00901 -0.00163 -0.39383 -0.40278 157 2S 0.02816 0.37943 0.31928 -0.40218 -0.63409 158 2PX -0.02230 0.01399 0.00488 -0.04678 -0.04924 159 2PY -0.00407 0.02352 0.02236 0.13943 0.16610 160 2PZ 0.00995 0.01890 0.01592 0.04425 0.03970 161 3S -0.23004 -1.26450 -1.14213 4.81410 5.56317 162 3PX 0.00836 -1.19542 -1.04455 0.11561 0.85426 163 3PY 0.05887 0.01978 0.00975 -0.97370 -0.87168 164 3PZ 0.01642 0.65581 0.58349 -0.16625 -0.61653 165 4XX -0.00291 -0.35199 -0.29747 -1.26860 -1.15535 166 4YY 0.03986 0.25964 0.24328 -1.17524 -1.26442 167 4ZZ 0.00588 -0.19263 -0.14274 -1.33756 -1.38024 168 4XY -0.03952 0.36819 0.32373 0.09150 -0.14414 169 4XZ 0.03675 0.33629 0.30744 -0.08598 -0.24439 170 4YZ 0.02816 -0.19799 -0.16587 -0.00697 0.11719 171 21 C 1S 0.00000 0.00001 0.00000 -0.12394 0.00001 172 2S -0.00002 0.00005 0.00004 0.95559 0.00005 173 2PX -0.00002 0.00003 0.00003 -0.16551 -0.00005 174 2PY 0.05139 -0.24431 -0.21411 -0.00002 -0.05155 175 2PZ 0.00001 -0.00003 -0.00003 0.08558 0.00001 176 3S -0.00009 -0.00004 0.00002 -2.06868 -0.00035 177 3PX -0.00002 0.00000 0.00002 -0.78676 -0.00010 178 3PY 0.04749 -0.62915 -0.54771 0.00003 -0.38789 179 3PZ 0.00001 -0.00009 -0.00009 0.18725 0.00006 180 4XX 0.00002 0.00005 0.00004 -0.59085 -0.00003 181 4YY -0.00004 -0.00008 -0.00006 -0.37873 -0.00001 182 4ZZ 0.00002 0.00005 0.00004 -0.54382 0.00000 183 4XY 0.03208 -0.31446 -0.27699 -0.00003 0.11059 184 4XZ 0.00001 -0.00005 -0.00004 0.03177 0.00004 185 4YZ 0.00784 0.13878 0.12341 0.00002 -0.00784 186 22 H 1S 0.00000 0.00000 0.00000 0.24393 0.00002 187 2S 0.00001 0.00003 0.00002 0.04122 0.00000 188 23 H 1S 0.00000 -0.00001 -0.00001 0.21767 0.00004 189 2S 0.00001 0.00000 -0.00001 -0.05425 0.00003 181 182 183 184 185 V V V V V Eigenvalues -- 4.12773 4.22311 4.28838 4.36076 4.37990 1 1 C 1S -0.19033 0.18103 -0.13467 0.18645 -0.20251 2 2S 1.30302 -0.98132 0.76661 -0.99260 1.24515 3 2PX 0.01588 0.02949 0.00633 -0.02436 0.02513 4 2PY 0.05776 -0.05009 0.03795 -0.02338 -0.15018 5 2PZ -0.00244 -0.11867 0.06640 -0.06854 0.03156 6 3S 0.42742 -0.86346 0.39947 -0.65972 0.31016 7 3PX -0.04821 -0.03740 -0.01644 0.04633 -0.23235 8 3PY -0.06495 0.04964 0.01275 -0.00363 0.07475 9 3PZ 0.06500 0.23161 -0.07159 0.11527 0.35734 10 4XX -0.74233 0.69627 -0.51563 0.70854 -0.78048 11 4YY -0.70205 0.61134 -0.47293 0.63301 -0.97479 12 4ZZ -0.76263 0.75264 -0.54277 0.71412 -0.76634 13 4XY -0.00399 -0.02519 -0.00237 0.01241 -0.02198 14 4XZ 0.01014 -0.01211 0.02128 -0.03392 -0.00280 15 4YZ -0.00258 0.04903 -0.01555 -0.00419 -0.01323 16 2 C 1S -0.10300 -0.11085 0.00691 0.03329 -0.19982 17 2S 0.63230 0.56295 -0.06315 -0.05327 0.75304 18 2PX 0.02044 0.05660 0.00891 0.00104 0.02357 19 2PY 0.04704 -0.03487 0.02491 -0.01996 -0.05246 20 2PZ 0.05374 -0.12199 0.04171 -0.05464 0.08300 21 3S 0.21592 0.58963 -0.18202 -0.07754 1.41581 22 3PX 0.02616 -0.18216 -0.07254 0.08903 0.07496 23 3PY 0.01306 0.05881 0.00192 -0.01330 0.65996 24 3PZ -0.05901 0.21455 0.05946 0.09835 0.04536 25 4XX -0.35804 -0.33487 0.04021 0.04413 -0.69469 26 4YY -0.40598 -0.44938 0.03329 0.11975 -0.64367 27 4ZZ -0.28592 -0.45928 0.10197 0.00846 -0.55310 28 4XY 0.03073 0.04269 -0.02453 0.02966 0.02058 29 4XZ -0.07311 -0.01762 -0.01909 -0.00584 -0.10659 30 4YZ 0.00647 -0.11337 0.04780 -0.03081 0.03353 31 3 C 1S -0.10299 -0.11084 0.00691 0.03336 0.19964 32 2S 0.63270 0.56298 -0.06314 -0.05364 -0.75201 33 2PX 0.02045 0.05658 0.00892 0.00105 -0.02358 34 2PY -0.04704 0.03490 -0.02492 0.01995 -0.05240 35 2PZ 0.05370 -0.12199 0.04170 -0.05463 -0.08301 36 3S 0.21460 0.58933 -0.18214 -0.07781 -1.41480 37 3PX 0.02621 -0.18217 -0.07262 0.08902 -0.07506 38 3PY -0.01227 -0.05868 -0.00184 0.01331 0.65984 39 3PZ -0.05901 0.21454 0.05952 0.09837 -0.04528 40 4XX -0.35814 -0.33483 0.04020 0.04440 0.69399 41 4YY -0.40608 -0.44942 0.03332 0.11998 0.64297 42 4ZZ -0.28605 -0.45923 0.10195 0.00874 0.55237 43 4XY -0.03071 -0.04265 0.02454 -0.02966 0.02059 44 4XZ -0.07302 -0.01763 -0.01907 -0.00585 0.10665 45 4YZ -0.00650 0.11336 -0.04783 0.03083 0.03358 46 4 C 1S -0.19031 0.18104 -0.13468 0.18647 0.20248 47 2S 1.30272 -0.98138 0.76666 -0.99264 -1.24501 48 2PX 0.01593 0.02948 0.00634 -0.02438 -0.02508 49 2PY -0.05778 0.05012 -0.03796 0.02337 -0.15012 50 2PZ -0.00250 -0.11867 0.06639 -0.06851 -0.03163 51 3S 0.42833 -0.86324 0.39958 -0.65991 -0.31027 52 3PX -0.04814 -0.03734 -0.01641 0.04637 0.23230 53 3PY 0.06471 -0.04977 -0.01283 0.00371 0.07482 54 3PZ 0.06457 0.23150 -0.07163 0.11530 -0.35730 55 4XX -0.74226 0.69628 -0.51566 0.70861 0.78037 56 4YY -0.70182 0.61140 -0.47298 0.63305 0.97472 57 4ZZ -0.76243 0.75266 -0.54280 0.71414 0.76629 58 4XY 0.00398 0.02521 0.00236 -0.01240 -0.02201 59 4XZ 0.01010 -0.01209 0.02127 -0.03392 0.00279 60 4YZ 0.00257 -0.04907 0.01558 0.00419 -0.01325 61 5 H 1S 0.07595 -0.05785 0.06028 -0.08990 0.04491 62 2S -0.19388 0.08319 -0.09693 0.16680 -0.26636 63 6 H 1S 0.07592 -0.05786 0.06029 -0.08990 -0.04488 64 2S -0.19376 0.08322 -0.09692 0.16681 0.26635 65 7 C 1S -0.18311 0.10055 0.09057 -0.27586 -0.12015 66 2S 1.20849 -0.54837 -0.32789 1.45174 0.95844 67 2PX 0.05581 -0.00610 -0.00601 0.02187 0.01402 68 2PY 0.07553 -0.05436 0.01796 0.04591 -0.08731 69 2PZ -0.02627 -0.00178 0.03049 -0.09478 -0.02033 70 3S 0.35249 -0.35492 -0.20598 1.13172 0.45482 71 3PX 0.00883 -0.20451 0.06667 0.03525 -0.26323 72 3PY -0.02790 0.09959 -0.20197 -0.04233 -0.02988 73 3PZ -0.07976 0.15635 -0.12827 0.19997 -0.05426 74 4XX -0.75781 0.37124 0.27078 -1.08551 -0.58645 75 4YY -0.66534 0.34393 0.26054 -0.94521 -0.65221 76 4ZZ -0.73933 0.40165 0.32019 -1.06049 -0.53408 77 4XY -0.02145 0.03176 0.01096 -0.03348 -0.03560 78 4XZ 0.03301 -0.05193 0.02881 0.05811 0.01300 79 4YZ -0.00119 -0.01905 0.02274 -0.00512 0.00502 80 8 C 1S -0.18299 0.10057 0.09057 -0.27581 0.12024 81 2S 1.20733 -0.54851 -0.32791 1.45136 -0.95887 82 2PX 0.05562 -0.00614 -0.00603 0.02186 -0.01400 83 2PY -0.07566 0.05434 -0.01797 -0.04592 -0.08730 84 2PZ -0.02623 -0.00176 0.03050 -0.09477 0.02034 85 3S 0.35557 -0.35451 -0.20552 1.13127 -0.45542 86 3PX 0.00731 -0.20481 0.06650 0.03548 0.26325 87 3PY 0.02724 -0.09969 0.20185 0.04243 -0.03001 88 3PZ -0.07789 0.15664 -0.12807 0.19984 0.05413 89 4XX -0.75718 0.37132 0.27079 -1.08527 0.58681 90 4YY -0.66460 0.34403 0.26055 -0.94495 0.65253 91 4ZZ -0.73878 0.40175 0.32017 -1.06026 0.53443 92 4XY 0.02145 -0.03175 -0.01097 0.03346 -0.03563 93 4XZ 0.03283 -0.05196 0.02878 0.05812 -0.01303 94 4YZ 0.00120 0.01904 -0.02274 0.00517 0.00505 95 9 H 1S 0.05964 0.04749 0.00784 -0.02035 -0.08241 96 2S -0.08709 -0.12404 0.01697 0.03337 -0.05235 97 10 H 1S 0.05964 0.04750 0.00786 -0.02033 0.08246 98 2S -0.08689 -0.12399 0.01699 0.03334 0.05221 99 11 C 1S -0.16664 -0.27397 -0.01256 0.03688 0.14557 100 2S 1.05825 1.43480 0.08051 -0.21216 -0.92185 101 2PX -0.00377 0.02895 0.00403 -0.03260 -0.03211 102 2PY -0.02774 -0.00366 -0.00605 0.00003 -0.04599 103 2PZ -0.00009 -0.01928 0.01524 -0.02700 0.00133 104 3S 0.45224 1.16046 0.14622 -0.11289 -0.17981 105 3PX 0.08635 -0.06505 -0.03722 0.07535 -0.10579 106 3PY 0.03806 0.08205 0.05332 -0.01178 -0.05412 107 3PZ -0.04832 0.02895 -0.03540 0.11945 0.31025 108 4XX -0.67038 -1.04072 -0.04511 0.13881 0.58053 109 4YY -0.57864 -0.90587 -0.04672 0.13145 0.66285 110 4ZZ -0.66491 -1.02840 -0.05425 0.14439 0.54423 111 4XY -0.00559 -0.02546 -0.00111 0.01231 0.02341 112 4XZ -0.00029 -0.03212 0.01159 -0.01206 0.02701 113 4YZ 0.00894 0.00802 0.00245 -0.00569 -0.03003 114 12 H 1S 0.06633 0.07177 -0.00421 0.00008 -0.02484 115 2S -0.15150 -0.27592 -0.06136 0.13376 0.20284 116 13 H 1S 0.06813 0.08769 -0.00117 -0.02109 -0.08581 117 2S -0.19211 -0.25761 0.00882 -0.04885 0.15912 118 14 C 1S -0.16666 -0.27399 -0.01257 0.03685 -0.14547 119 2S 1.05884 1.43504 0.08062 -0.21207 0.92129 120 2PX -0.00379 0.02894 0.00403 -0.03259 0.03209 121 2PY 0.02773 0.00366 0.00604 -0.00004 -0.04600 122 2PZ -0.00013 -0.01929 0.01524 -0.02699 -0.00129 123 3S 0.45115 1.16020 0.14606 -0.11259 0.17909 124 3PX 0.08700 -0.06482 -0.03714 0.07527 0.10588 125 3PY -0.03843 -0.08219 -0.05336 0.01189 -0.05397 126 3PZ -0.04845 0.02893 -0.03547 0.11942 -0.31037 127 4XX -0.67059 -1.04083 -0.04517 0.13873 -0.58010 128 4YY -0.57890 -0.90599 -0.04677 0.13133 -0.66246 129 4ZZ -0.66514 -1.02852 -0.05430 0.14430 -0.54380 130 4XY 0.00556 0.02543 0.00111 -0.01229 0.02349 131 4XZ -0.00023 -0.03210 0.01159 -0.01208 -0.02704 132 4YZ -0.00893 -0.00800 -0.00244 0.00568 -0.03010 133 15 H 1S 0.06645 0.07181 -0.00420 0.00006 0.02482 134 2S -0.15156 -0.27592 -0.06138 0.13372 -0.20277 135 16 H 1S 0.06814 0.08770 -0.00115 -0.02108 0.08580 136 2S -0.19231 -0.25770 0.00880 -0.04885 -0.15901 137 17 H 1S 0.08549 -0.01537 -0.08031 0.09932 -0.05366 138 2S -0.17859 0.25296 -0.01527 -0.23744 0.12476 139 18 H 1S 0.08552 -0.01537 -0.08031 0.09936 0.05366 140 2S -0.17917 0.25285 -0.01533 -0.23742 -0.12466 141 19 O 1S -0.03086 0.02751 0.08773 0.05965 0.09833 142 2S -0.07748 0.07135 -0.03064 0.03479 0.08389 143 2PX 0.04502 -0.03056 -0.04022 0.03317 0.03979 144 2PY -0.01107 0.00970 0.06796 0.05894 0.05576 145 2PZ -0.01361 0.00788 0.01264 -0.02924 -0.01995 146 3S 0.52602 -0.50682 -0.92899 -0.87273 -1.11642 147 3PX 0.01489 -0.04599 -0.04693 -0.07125 -0.00074 148 3PY 0.17053 -0.13647 0.07222 -0.02223 -0.12709 149 3PZ -0.07529 0.05799 0.05939 -0.04048 0.01701 150 4XX -0.04627 0.05010 0.32261 0.29635 0.36367 151 4YY -0.09567 0.09521 0.51930 0.26076 0.33358 152 4ZZ -0.06976 0.06943 0.22714 0.23753 0.36656 153 4XY 0.04615 -0.04977 -0.18211 -0.03608 0.02550 154 4XZ -0.08235 0.05302 -0.02576 -0.12288 -0.04391 155 4YZ -0.04646 0.03488 0.07192 -0.03691 -0.02138 156 20 O 1S -0.03044 0.02759 0.08777 0.05960 -0.09837 157 2S -0.07679 0.07148 -0.03059 0.03471 -0.08395 158 2PX 0.04506 -0.03053 -0.04019 0.03316 -0.03982 159 2PY 0.01090 -0.00974 -0.06795 -0.05889 0.05577 160 2PZ -0.01364 0.00787 0.01261 -0.02925 0.01998 161 3S 0.52015 -0.50793 -0.92958 -0.87206 1.11701 162 3PX 0.01395 -0.04617 -0.04701 -0.07119 0.00084 163 3PY -0.16958 0.13663 -0.07211 0.02215 -0.12715 164 3PZ -0.07466 0.05814 0.05944 -0.04050 -0.01709 165 4XX -0.04510 0.05033 0.32270 0.29618 -0.36381 166 4YY -0.09439 0.09549 0.51947 0.26058 -0.33370 167 4ZZ -0.06832 0.06971 0.22726 0.23736 -0.36672 168 4XY -0.04597 0.04979 0.18211 0.03610 0.02551 169 4XZ -0.08209 0.05308 -0.02568 -0.12285 0.04395 170 4YZ 0.04632 -0.03489 -0.07186 0.03691 -0.02139 171 21 C 1S 0.06787 -0.06141 -0.42862 -0.17068 0.00000 172 2S -0.26760 0.31256 2.39259 1.13131 -0.00004 173 2PX -0.01372 -0.00851 -0.14973 -0.07004 -0.00001 174 2PY 0.00003 0.00001 0.00002 0.00001 -0.00601 175 2PZ 0.00850 -0.01771 0.07125 0.00904 0.00000 176 3S -0.74295 0.52685 2.26354 0.82171 -0.00003 177 3PX -0.18667 0.12165 0.01984 -0.02614 0.00001 178 3PY 0.00018 0.00004 0.00004 -0.00005 -0.17734 179 3PZ 0.13632 0.02833 -0.14161 0.17698 -0.00001 180 4XX 0.20201 -0.22621 -1.67875 -0.75743 0.00001 181 4YY 0.24025 -0.23790 -1.86089 -0.78509 0.00002 182 4ZZ 0.23537 -0.22905 -1.60921 -0.67909 0.00001 183 4XY -0.00006 -0.00001 0.00001 0.00001 0.03135 184 4XZ 0.03819 -0.01920 0.03400 0.05070 0.00000 185 4YZ 0.00000 0.00000 -0.00004 -0.00002 -0.01150 186 22 H 1S 0.00291 -0.00861 0.09798 0.01491 0.00000 187 2S 0.05662 -0.11188 -0.43831 -0.26354 0.00000 188 23 H 1S 0.02021 0.01062 0.05891 0.05653 0.00001 189 2S 0.08299 -0.03980 -0.53083 -0.14939 0.00001 186 187 188 189 V V V V Eigenvalues -- 4.44862 4.50900 4.60325 4.87095 1 1 C 1S 0.01486 -0.22771 -0.18752 -0.02363 2 2S -0.07500 1.10168 0.87609 0.19529 3 2PX 0.03169 -0.02200 -0.00765 -0.03083 4 2PY -0.08344 -0.08456 -0.07768 0.04056 5 2PZ -0.11332 0.12291 0.10410 0.02170 6 3S -0.55754 2.39782 1.65072 2.53671 7 3PX -0.04396 0.12167 0.00203 0.46809 8 3PY 0.08328 0.40548 0.52394 0.14039 9 3PZ 0.18036 -0.68156 -0.22422 -1.21914 10 4XX 0.06753 -0.82481 -0.66258 -0.08837 11 4YY 0.09259 -1.03222 -0.86145 -0.19232 12 4ZZ 0.16999 -0.87004 -0.71323 -0.20346 13 4XY -0.02652 0.03949 -0.02520 0.04576 14 4XZ -0.03536 0.02945 0.03318 0.02866 15 4YZ 0.13439 -0.09302 -0.08396 -0.13414 16 2 C 1S -0.32487 0.08610 0.02296 0.39277 17 2S 1.72536 -0.30519 -0.55024 -0.87387 18 2PX 0.00028 -0.02471 -0.00168 -0.04538 19 2PY -0.10202 0.06427 0.03230 0.21923 20 2PZ -0.01361 0.08251 0.04368 0.00579 21 3S 2.16723 -0.90257 -0.12125 -5.51902 22 3PX -0.01949 0.15431 -0.31099 0.05254 23 3PY 0.23889 -0.30463 -0.00219 -2.02331 24 3PZ -0.10244 -0.27117 0.03781 -0.03733 25 4XX -1.23455 0.21725 0.24267 1.19481 26 4YY -1.24378 0.31265 0.19360 1.21159 27 4ZZ -1.34406 0.40331 0.32803 1.30170 28 4XY -0.03542 -0.04849 -0.05220 0.04596 29 4XZ 0.10949 0.03194 -0.03956 -0.05683 30 4YZ -0.01717 0.10895 0.02979 0.00117 31 3 C 1S -0.32501 -0.08607 -0.02304 -0.39277 32 2S 1.72577 0.30502 0.55075 0.87371 33 2PX 0.00028 0.02469 0.00172 0.04529 34 2PY 0.10206 0.06428 0.03234 0.21922 35 2PZ -0.01354 -0.08249 -0.04365 -0.00576 36 3S 2.16817 0.90231 0.12173 5.51944 37 3PX -0.01953 -0.15424 0.31110 -0.05226 38 3PY -0.23919 -0.30464 -0.00223 -2.02325 39 3PZ -0.10252 0.27105 -0.03782 0.03675 40 4XX -1.23499 -0.21711 -0.24304 -1.19472 41 4YY -1.24419 -0.31260 -0.19397 -1.21156 42 4ZZ -1.34441 -0.40313 -0.32840 -1.30167 43 4XY 0.03539 -0.04847 -0.05221 0.04595 44 4XZ 0.10944 -0.03198 0.03953 0.05688 45 4YZ 0.01721 0.10898 0.02985 0.00121 46 4 C 1S 0.01472 0.22772 0.18754 0.02365 47 2S -0.07423 -1.10172 -0.87613 -0.19534 48 2PX 0.03169 0.02201 0.00768 0.03081 49 2PY 0.08357 -0.08454 -0.07764 0.04056 50 2PZ -0.11328 -0.12293 -0.10416 -0.02171 51 3S -0.55704 -2.39773 -1.65092 -2.53676 52 3PX -0.04405 -0.12171 -0.00216 -0.46806 53 3PY -0.08351 0.40532 0.52389 0.14003 54 3PZ 0.18048 0.68161 0.22442 1.21922 55 4XX 0.06699 0.82482 0.66263 0.08841 56 4YY 0.09201 1.03228 0.86153 0.19242 57 4ZZ 0.16944 0.87003 0.71327 0.20345 58 4XY 0.02654 0.03944 -0.02523 0.04573 59 4XZ -0.03532 -0.02942 -0.03319 -0.02863 60 4YZ -0.13441 -0.09297 -0.08396 -0.13415 61 5 H 1S 0.02601 0.05784 0.05290 0.00954 62 2S 0.00591 -0.03002 -0.10347 0.20093 63 6 H 1S 0.02604 -0.05784 -0.05290 -0.00954 64 2S 0.00576 0.03003 0.10347 -0.20093 65 7 C 1S 0.03355 -0.04659 0.31060 -0.18579 66 2S 0.05316 0.23172 -1.25861 0.07131 67 2PX 0.01414 -0.00469 0.00586 -0.07542 68 2PY 0.01683 -0.02112 0.14752 -0.04651 69 2PZ 0.00966 0.02963 0.10664 -0.04508 70 3S -0.59247 0.11331 -3.68938 4.80595 71 3PX 0.01191 0.53483 0.13458 -0.43909 72 3PY 0.09411 -0.21267 -0.93523 1.07424 73 3PZ -0.24086 -0.51670 -0.73575 1.72959 74 4XX 0.03740 -0.17798 1.10329 -0.39263 75 4YY 0.07337 -0.23351 1.31682 -0.58796 76 4ZZ 0.07161 -0.17564 1.09330 -0.47051 77 4XY 0.02966 -0.01088 -0.00412 0.00301 78 4XZ -0.01266 0.05356 -0.02104 -0.01956 79 4YZ 0.01694 0.02536 -0.05674 0.02249 80 8 C 1S 0.03358 0.04658 -0.31066 0.18579 81 2S 0.05321 -0.23167 1.25886 -0.07118 82 2PX 0.01408 0.00469 -0.00587 0.07539 83 2PY -0.01683 -0.02111 0.14752 -0.04654 84 2PZ 0.00968 -0.02965 -0.10662 0.04506 85 3S -0.59250 -0.11328 3.68980 -4.80636 86 3PX 0.01146 -0.53491 -0.13454 0.43912 87 3PY -0.09400 -0.21279 -0.93530 1.07458 88 3PZ -0.24074 0.51674 0.73551 -1.72947 89 4XX 0.03743 0.17794 -1.10351 0.39255 90 4YY 0.07342 0.23348 -1.31700 0.58792 91 4ZZ 0.07165 0.17563 -1.09355 0.47050 92 4XY -0.02966 -0.01087 -0.00411 0.00300 93 4XZ -0.01272 -0.05356 0.02105 0.01953 94 4YZ -0.01693 0.02538 -0.05681 0.02250 95 9 H 1S 0.06099 0.02979 0.02735 0.05773 96 2S -0.29865 -0.01813 -0.01174 0.08149 97 10 H 1S 0.06097 -0.02979 -0.02731 -0.05778 98 2S -0.29863 0.01813 0.01169 -0.08157 99 11 C 1S 0.15481 -0.29142 0.11662 0.17101 100 2S -0.79070 1.32788 -0.58140 -0.43146 101 2PX -0.05392 0.05424 -0.04244 0.02026 102 2PY 0.02486 0.05015 -0.01611 0.00946 103 2PZ 0.05704 -0.03210 0.00606 0.00107 104 3S -1.21221 2.29881 -1.01399 -3.92815 105 3PX 0.17614 -0.15607 0.15134 0.65359 106 3PY -0.10621 -0.32366 0.04778 0.64201 107 3PZ -0.15423 -0.00269 0.05634 -0.74946 108 4XX 0.63432 -1.02476 0.43308 0.51978 109 4YY 0.53310 -1.17948 0.50581 0.59556 110 4ZZ 0.65510 -1.01253 0.42356 0.54991 111 4XY -0.08110 0.00043 -0.03831 -0.09694 112 4XZ -0.08053 -0.02238 -0.03039 -0.06911 113 4YZ 0.07655 -0.02106 -0.00166 0.09883 114 12 H 1S -0.01555 -0.01870 0.01554 0.11008 115 2S 0.16926 -0.32374 0.21111 0.09263 116 13 H 1S -0.00547 0.02203 -0.00317 0.13585 117 2S 0.14795 -0.27659 0.04654 0.15716 118 14 C 1S 0.15495 0.29138 -0.11659 -0.17101 119 2S -0.79147 -1.32773 0.58127 0.43147 120 2PX -0.05396 -0.05424 0.04241 -0.02025 121 2PY -0.02485 0.05013 -0.01610 0.00945 122 2PZ 0.05703 0.03211 -0.00605 -0.00108 123 3S -1.21286 -2.29858 1.01361 3.92808 124 3PX 0.17615 0.15607 -0.15122 -0.65374 125 3PY 0.10619 -0.32361 0.04777 0.64176 126 3PZ -0.15404 0.00264 -0.05636 0.74960 127 4XX 0.63482 1.02463 -0.43293 -0.51975 128 4YY 0.53377 1.17937 -0.50570 -0.59564 129 4ZZ 0.65557 1.01239 -0.42340 -0.54989 130 4XY 0.08115 0.00038 -0.03828 -0.09695 131 4XZ -0.08047 0.02240 0.03036 0.06907 132 4YZ -0.07658 -0.02101 -0.00169 0.09883 133 15 H 1S -0.01554 0.01870 -0.01553 -0.11006 134 2S 0.16943 0.32369 -0.21103 -0.09261 135 16 H 1S -0.00553 -0.02201 0.00317 -0.13586 136 2S 0.14806 0.27659 -0.04655 -0.15714 137 17 H 1S 0.02199 0.08372 0.05169 0.00399 138 2S -0.00226 0.33553 -0.08733 -0.23158 139 18 H 1S 0.02198 -0.08371 -0.05170 -0.00399 140 2S -0.00232 -0.33548 0.08719 0.23160 141 19 O 1S -0.05021 0.00618 -0.07060 0.14313 142 2S -0.11600 -0.04401 -0.10894 0.38783 143 2PX -0.01286 0.02066 -0.03437 0.04987 144 2PY -0.01937 0.01532 -0.04153 0.05878 145 2PZ 0.01893 0.00465 0.03697 -0.02491 146 3S 0.80833 0.22440 1.35897 -2.85313 147 3PX 0.10607 0.10669 0.14820 -0.66252 148 3PY 0.15832 0.03386 0.16454 -0.41685 149 3PZ -0.09114 -0.11113 -0.05958 0.29677 150 4XX -0.14950 0.06132 -0.26265 0.37542 151 4YY -0.12385 0.02452 -0.25065 0.46336 152 4ZZ -0.18381 0.04015 -0.27992 0.50516 153 4XY -0.01553 0.02518 -0.05488 -0.03118 154 4XZ -0.01554 -0.02932 0.11927 0.01064 155 4YZ 0.00832 -0.02747 0.03854 0.01415 156 20 O 1S -0.05010 -0.00616 0.07061 -0.14315 157 2S -0.11581 0.04406 0.10896 -0.38789 158 2PX -0.01282 -0.02066 0.03438 -0.04986 159 2PY 0.01931 0.01531 -0.04153 0.05879 160 2PZ 0.01893 -0.00464 -0.03699 0.02493 161 3S 0.80693 -0.22477 -1.35917 2.85343 162 3PX 0.10588 -0.10672 -0.14822 0.66254 163 3PY -0.15808 0.03390 0.16456 -0.41691 164 3PZ -0.09104 0.11113 0.05963 -0.29691 165 4XX -0.14919 -0.06126 0.26271 -0.37547 166 4YY -0.12349 -0.02443 0.25067 -0.46336 167 4ZZ -0.18343 -0.04009 0.27998 -0.50521 168 4XY 0.01557 0.02518 -0.05485 -0.03118 169 4XZ -0.01548 0.02932 -0.11930 -0.01067 170 4YZ -0.00834 -0.02746 0.03854 0.01415 171 21 C 1S -0.04513 -0.00001 -0.00001 -0.00001 172 2S 0.21426 0.00007 0.00005 0.00006 173 2PX -0.05543 0.00000 0.00000 -0.00003 174 2PY 0.00000 0.00105 0.02509 -0.05382 175 2PZ 0.00666 0.00000 0.00000 -0.00001 176 3S -0.03239 0.00015 0.00008 0.00000 177 3PX -0.02957 0.00004 0.00001 0.00003 178 3PY 0.00005 -0.06125 0.10474 -0.04679 179 3PZ 0.10198 0.00001 -0.00001 0.00007 180 4XX -0.18198 -0.00005 -0.00004 -0.00005 181 4YY -0.15436 -0.00005 -0.00003 -0.00006 182 4ZZ -0.17165 -0.00005 -0.00004 -0.00005 183 4XY -0.00002 -0.00813 -0.02062 0.02148 184 4XZ -0.00265 0.00000 0.00000 0.00000 185 4YZ 0.00001 -0.01136 -0.00287 -0.00293 186 22 H 1S 0.01821 -0.00001 0.00000 0.00000 187 2S -0.07042 -0.00003 0.00000 -0.00004 188 23 H 1S 0.04392 0.00000 0.00000 0.00002 189 2S -0.00085 -0.00001 -0.00001 0.00003 Density Matrix: 1 2 3 4 5 1 1 C 1S 2.05282 2 2S -0.06255 0.32755 3 2PX -0.00140 0.00252 0.35515 4 2PY 0.00097 0.00036 -0.00139 0.41443 5 2PZ -0.00131 -0.00543 -0.03125 0.00023 0.40212 6 3S -0.15830 0.24228 0.00291 0.01317 0.04226 7 3PX 0.00113 -0.00315 0.21933 -0.01072 0.03526 8 3PY 0.00251 -0.01345 -0.02696 0.13648 -0.00083 9 3PZ -0.00982 0.03047 0.04208 -0.01216 0.12272 10 4XX -0.01240 -0.01304 0.00071 -0.00285 0.00347 11 4YY -0.01693 -0.00310 0.00128 0.01322 0.00403 12 4ZZ -0.01781 -0.00166 -0.00663 -0.01343 -0.00166 13 4XY -0.00134 0.00254 -0.00125 -0.00159 0.00728 14 4XZ 0.00350 -0.00743 -0.00287 0.00739 -0.00687 15 4YZ 0.00175 -0.00281 0.00873 0.00074 -0.01435 16 2 C 1S 0.01820 -0.03656 -0.01017 0.03659 0.07344 17 2S -0.03388 0.06338 0.01983 -0.07634 -0.14775 18 2PX 0.01248 -0.02889 0.18250 0.00837 0.12424 19 2PY -0.03913 0.07807 -0.00826 -0.05062 -0.15360 20 2PZ -0.06921 0.14402 0.15744 -0.15687 -0.18248 21 3S -0.01204 0.03990 0.00233 -0.05277 -0.16228 22 3PX -0.00123 0.00105 0.13404 -0.00030 0.05751 23 3PY -0.01122 0.02913 -0.01794 -0.00609 -0.06276 24 3PZ -0.01450 0.03846 0.08770 -0.07189 -0.04943 25 4XX 0.00275 -0.00570 -0.00647 0.00276 0.00709 26 4YY 0.00162 -0.00337 -0.00018 0.01232 0.00174 27 4ZZ -0.00434 0.00759 0.00512 -0.00900 0.00395 28 4XY 0.00115 -0.00233 0.00459 -0.00024 0.00387 29 4XZ 0.00133 -0.00236 0.01199 0.00174 0.00221 30 4YZ -0.00435 0.00871 0.00393 0.00305 -0.00980 31 3 C 1S -0.00341 0.00805 0.00517 0.01241 -0.00307 32 2S 0.00799 -0.01931 -0.01249 -0.03302 0.00919 33 2PX -0.00013 -0.00050 -0.02109 -0.00144 -0.00883 34 2PY -0.01144 0.02691 0.00683 0.03368 -0.00518 35 2PZ 0.00945 -0.03038 -0.01521 -0.03576 0.01473 36 3S 0.00706 -0.01922 -0.03006 -0.02492 0.04786 37 3PX -0.00155 0.00071 -0.03301 0.01267 -0.01349 38 3PY -0.00344 0.00954 0.01632 -0.00508 -0.00176 39 3PZ 0.00614 -0.01691 -0.02827 -0.02794 0.01867 40 4XX 0.00018 -0.00032 0.00004 -0.00146 0.00054 41 4YY -0.00185 0.00428 -0.00018 0.00989 -0.00142 42 4ZZ 0.00103 -0.00218 0.00229 -0.00349 0.00131 43 4XY -0.00017 0.00048 -0.00265 0.00132 -0.00153 44 4XZ -0.00043 0.00068 0.00707 0.00076 0.00333 45 4YZ 0.00123 -0.00226 -0.00036 -0.00717 0.00061 46 4 C 1S 0.01657 -0.03200 -0.00531 -0.07761 -0.00242 47 2S -0.03200 0.05429 0.00507 0.16009 0.00891 48 2PX -0.00532 0.00510 0.15913 0.00481 0.06115 49 2PY 0.07761 -0.16009 -0.00473 -0.31360 -0.00719 50 2PZ -0.00240 0.00888 0.06114 0.00713 0.03632 51 3S -0.00528 0.03319 0.06255 0.12724 -0.01565 52 3PX -0.00336 0.00532 0.10963 -0.00898 0.03494 53 3PY 0.01369 -0.04242 -0.01072 -0.09234 -0.00476 54 3PZ 0.00238 -0.01064 0.02031 0.02057 0.04579 55 4XX 0.00227 -0.00499 -0.00125 -0.00696 0.00063 56 4YY -0.00698 0.01226 -0.00003 0.00598 -0.00109 57 4ZZ 0.00297 -0.00672 -0.00035 -0.01109 -0.00035 58 4XY -0.00004 0.00009 -0.01330 0.00061 0.00048 59 4XZ -0.00043 0.00120 0.00055 0.00204 0.00043 60 4YZ 0.00025 0.00026 0.00001 0.00122 -0.01310 61 5 H 1S -0.06047 0.11437 -0.10768 -0.13136 0.20427 62 2S -0.01307 0.02613 -0.10362 -0.11578 0.18743 63 6 H 1S 0.01228 -0.02561 0.00303 -0.04306 -0.02281 64 2S 0.01413 -0.02480 0.01689 -0.08409 -0.04849 65 7 C 1S -0.00147 0.00123 -0.00411 0.00076 -0.00342 66 2S 0.00106 -0.00455 0.01445 -0.00061 0.01439 67 2PX 0.00434 -0.01454 0.01847 -0.00451 0.02131 68 2PY -0.00049 0.00143 -0.00664 0.00325 -0.00218 69 2PZ 0.00469 -0.01529 0.00157 -0.00047 0.01565 70 3S 0.00628 0.00377 0.02069 -0.00928 -0.00713 71 3PX 0.00386 -0.01646 0.02050 -0.00477 0.03438 72 3PY -0.00121 0.01053 0.00788 -0.00272 -0.01736 73 3PZ 0.00700 -0.00537 0.00982 -0.00210 -0.00169 74 4XX -0.00017 0.00025 -0.00359 0.00040 -0.00053 75 4YY -0.00029 -0.00008 0.00185 0.00028 0.00138 76 4ZZ -0.00095 0.00042 -0.00117 0.00018 -0.00155 77 4XY 0.00007 0.00026 0.00515 -0.00108 0.00182 78 4XZ -0.00034 0.00041 -0.00639 0.00051 -0.00302 79 4YZ -0.00007 0.00025 0.00503 -0.00085 0.00227 80 8 C 1S -0.00081 0.00203 -0.00962 0.00215 -0.00592 81 2S 0.00108 -0.00181 0.02495 -0.00412 0.01178 82 2PX 0.00283 -0.00629 0.07961 -0.01585 0.04181 83 2PY -0.00030 0.00018 0.00868 -0.00475 0.00047 84 2PZ 0.00256 -0.00486 0.07391 -0.01328 0.03684 85 3S 0.00322 -0.01717 0.02583 -0.00653 0.04043 86 3PX 0.00175 -0.00019 0.07628 -0.02019 0.03052 87 3PY -0.00071 0.00701 0.03391 -0.00773 0.00100 88 3PZ 0.00133 -0.00757 0.04357 -0.00502 0.03446 89 4XX -0.00011 0.00030 0.00113 -0.00025 0.00034 90 4YY -0.00013 0.00012 0.00060 0.00051 0.00067 91 4ZZ -0.00033 0.00043 -0.00323 0.00056 -0.00212 92 4XY -0.00019 0.00064 -0.00062 0.00022 -0.00096 93 4XZ -0.00001 0.00032 -0.00079 -0.00004 -0.00078 94 4YZ -0.00005 0.00062 0.00010 0.00000 -0.00077 95 9 H 1S -0.00834 0.01853 0.00154 0.03521 -0.00164 96 2S -0.01169 0.02553 -0.00348 0.06912 -0.01169 97 10 H 1S 0.01202 -0.02505 0.00096 0.03529 0.02659 98 2S 0.01331 -0.02557 0.00975 0.07177 0.04541 99 11 C 1S -0.00268 0.00518 0.00449 0.00369 -0.00385 100 2S 0.00477 -0.00902 -0.01318 -0.00692 0.00530 101 2PX -0.00575 0.00900 0.01475 0.01711 -0.00024 102 2PY -0.00392 0.00924 -0.01091 -0.01170 -0.02809 103 2PZ 0.00545 -0.01011 -0.01766 -0.01848 -0.00080 104 3S 0.01276 -0.02471 -0.01193 -0.02744 0.02149 105 3PX -0.00401 0.00652 0.00232 0.02113 0.00157 106 3PY -0.00322 0.00783 -0.02237 -0.00753 -0.02812 107 3PZ 0.00300 -0.00543 0.00004 -0.01412 0.00023 108 4XX -0.00003 0.00016 0.00104 -0.00096 0.00004 109 4YY -0.00013 0.00028 -0.00171 0.00189 0.00034 110 4ZZ -0.00007 -0.00015 0.00005 -0.00125 -0.00056 111 4XY 0.00012 -0.00054 0.00063 -0.00033 0.00079 112 4XZ -0.00034 0.00061 0.00073 0.00126 0.00052 113 4YZ -0.00016 0.00069 0.00022 -0.00093 -0.00099 114 12 H 1S -0.00055 0.00024 -0.00220 0.00239 -0.00167 115 2S -0.00112 0.00004 0.00424 0.00404 0.00328 116 13 H 1S -0.00129 0.00194 0.00672 -0.00025 -0.00058 117 2S -0.00201 0.00358 0.02593 -0.00482 0.00549 118 14 C 1S -0.00306 0.00583 0.00800 -0.00176 -0.01006 119 2S 0.00645 -0.01548 -0.01868 0.00610 0.02653 120 2PX -0.00664 0.01796 -0.01459 -0.00154 -0.04034 121 2PY -0.00145 0.00334 0.00706 0.00385 -0.00505 122 2PZ 0.01299 -0.03365 -0.02312 0.01219 0.03950 123 3S 0.00807 -0.01543 -0.07165 -0.00866 0.03254 124 3PX -0.00507 0.01254 -0.00726 0.01113 -0.03981 125 3PY -0.00350 0.00783 0.01742 0.00438 -0.01674 126 3PZ 0.00772 -0.01716 -0.00500 0.00144 0.02931 127 4XX 0.00040 -0.00111 -0.00870 0.00081 -0.00240 128 4YY 0.00066 -0.00161 -0.00031 0.00172 0.00373 129 4ZZ -0.00193 0.00383 0.00968 -0.00408 -0.00456 130 4XY 0.00036 -0.00095 0.00075 0.00158 0.00273 131 4XZ 0.00028 -0.00057 -0.00042 0.00099 0.00335 132 4YZ -0.00043 0.00131 -0.00133 -0.00070 -0.00275 133 15 H 1S -0.00765 0.01861 0.02816 -0.01506 -0.01740 134 2S -0.01117 0.02682 0.07206 -0.02253 -0.02836 135 16 H 1S 0.00146 -0.00211 -0.03905 0.00246 -0.01315 136 2S 0.00149 -0.00233 -0.03687 -0.00133 -0.01424 137 17 H 1S -0.00026 -0.00090 -0.01476 0.00167 -0.00642 138 2S -0.00046 -0.00318 -0.04093 0.01069 -0.01043 139 18 H 1S -0.00109 0.00302 0.02316 -0.00384 0.00499 140 2S -0.00149 0.00769 0.03343 -0.00293 -0.00291 141 19 O 1S -0.00016 0.00196 -0.00628 -0.00032 -0.00258 142 2S 0.00099 -0.00335 0.01491 0.00050 0.00319 143 2PX 0.00076 -0.01200 0.02456 0.00146 0.00916 144 2PY 0.00049 -0.00001 0.00756 -0.00365 0.00455 145 2PZ -0.00063 -0.01548 0.01403 0.00533 -0.00171 146 3S -0.00251 -0.00867 0.03775 0.00003 0.02600 147 3PX -0.00044 -0.00850 0.01225 0.00192 0.00781 148 3PY -0.00028 -0.00156 0.01626 -0.00301 0.01028 149 3PZ -0.00024 -0.00918 0.00683 0.00427 -0.00549 150 4XX 0.00010 -0.00042 -0.00075 0.00008 -0.00040 151 4YY -0.00004 0.00018 0.00183 -0.00015 -0.00016 152 4ZZ -0.00011 0.00126 -0.00155 -0.00018 -0.00168 153 4XY 0.00000 -0.00055 0.00050 0.00025 0.00059 154 4XZ -0.00013 0.00040 -0.00269 0.00003 -0.00094 155 4YZ 0.00002 -0.00061 0.00133 0.00015 0.00007 156 20 O 1S 0.00017 -0.00032 0.00064 0.00007 0.00055 157 2S 0.00030 -0.00040 -0.00314 0.00067 -0.00034 158 2PX -0.00062 -0.00050 -0.02006 0.00058 -0.01189 159 2PY -0.00034 0.00148 -0.00166 0.00222 0.00109 160 2PZ -0.00118 0.00070 -0.02970 0.00332 -0.01573 161 3S -0.00277 0.00563 0.00737 -0.00386 -0.00662 162 3PX -0.00096 0.00147 -0.01782 0.00060 -0.01388 163 3PY 0.00088 -0.00020 -0.00989 0.00307 -0.00115 164 3PZ -0.00123 0.00051 -0.03368 0.00485 -0.01599 165 4XX 0.00038 -0.00036 0.00242 -0.00028 0.00143 166 4YY 0.00014 -0.00032 0.00037 0.00024 0.00065 167 4ZZ 0.00034 -0.00016 -0.00314 0.00064 -0.00098 168 4XY 0.00004 -0.00003 0.00089 -0.00007 0.00058 169 4XZ 0.00003 -0.00005 -0.00067 0.00015 -0.00021 170 4YZ 0.00007 0.00007 0.00048 -0.00010 0.00010 171 21 C 1S -0.00021 0.00037 -0.00255 0.00074 -0.00130 172 2S 0.00045 -0.00093 0.01070 -0.00231 0.00345 173 2PX 0.00019 0.00090 0.00183 -0.00183 -0.00043 174 2PY -0.00002 -0.00104 0.01261 -0.00063 0.00513 175 2PZ 0.00044 0.00038 0.00406 0.00065 -0.00103 176 3S 0.00163 -0.00175 0.00663 -0.00142 0.00527 177 3PX 0.00074 -0.00010 -0.02492 0.00074 -0.00664 178 3PY 0.00013 -0.00005 0.01587 -0.00147 0.00357 179 3PZ 0.00020 -0.00051 0.00433 0.00234 -0.00296 180 4XX -0.00009 -0.00044 -0.00044 0.00025 -0.00041 181 4YY 0.00010 0.00015 -0.00024 0.00000 -0.00017 182 4ZZ -0.00004 0.00045 -0.00040 0.00004 -0.00036 183 4XY 0.00002 0.00011 -0.00120 0.00009 -0.00047 184 4XZ -0.00017 -0.00039 -0.00042 0.00028 -0.00030 185 4YZ 0.00001 0.00058 -0.00206 -0.00005 -0.00072 186 22 H 1S 0.00050 0.00107 0.00436 -0.00073 0.00111 187 2S 0.00031 0.00288 -0.01399 -0.00266 -0.00045 188 23 H 1S -0.00043 -0.00223 -0.00288 0.00129 -0.00121 189 2S -0.00064 -0.00290 -0.02267 0.00476 -0.01121 6 7 8 9 10 6 3S 0.23665 7 3PX 0.00653 0.14682 8 3PY 0.00804 -0.02135 0.05806 9 3PZ 0.02201 0.04331 -0.01311 0.05818 10 4XX -0.00858 0.00095 -0.00047 0.00024 0.00073 11 4YY -0.00280 0.00121 0.00303 0.00086 0.00012 12 4ZZ 0.00017 -0.00369 -0.00273 -0.00118 0.00023 13 4XY 0.00508 0.00039 0.00047 0.00152 -0.00013 14 4XZ -0.00603 -0.00244 0.00263 -0.00329 0.00011 15 4YZ -0.00535 0.00323 -0.00013 -0.00261 -0.00002 16 2 C 1S 0.00947 0.00716 0.00664 0.00572 0.00197 17 2S 0.01599 -0.00750 -0.01372 -0.03329 -0.00391 18 2PX -0.01396 0.12105 -0.00595 0.06024 0.00460 19 2PY 0.09103 -0.02349 0.00958 -0.05154 -0.00268 20 2PZ 0.06289 0.07217 -0.08827 -0.01036 -0.00489 21 3S -0.02057 -0.01949 -0.00712 -0.03123 -0.00338 22 3PX -0.00534 0.08767 -0.01720 0.03953 0.00206 23 3PY 0.01666 -0.01808 0.00191 -0.01564 -0.00127 24 3PZ 0.00407 0.04372 -0.04173 0.00712 -0.00047 25 4XX -0.00163 -0.00328 0.00219 0.00056 0.00031 26 4YY -0.00546 -0.00019 0.00297 0.00071 -0.00004 27 4ZZ 0.00806 0.00416 -0.00397 0.00238 -0.00013 28 4XY -0.00182 0.00308 0.00027 0.00168 0.00014 29 4XZ -0.00125 0.00835 -0.00080 0.00240 0.00008 30 4YZ 0.00542 0.00080 -0.00011 -0.00183 -0.00041 31 3 C 1S -0.00220 -0.00079 0.00504 0.00764 -0.00014 32 2S -0.01800 -0.00485 -0.01555 -0.00396 0.00036 33 2PX 0.00516 -0.02906 0.01319 -0.01655 -0.00090 34 2PY 0.08498 -0.00006 0.04884 0.00309 -0.00028 35 2PZ 0.04253 0.00316 0.01169 -0.04323 -0.00089 36 3S -0.00699 -0.00547 -0.01195 0.00647 0.00071 37 3PX 0.02003 -0.02960 0.02142 -0.02113 -0.00118 38 3PY 0.02323 0.00540 0.00733 0.00345 0.00002 39 3PZ 0.02045 -0.01332 0.00760 -0.02030 -0.00014 40 4XX -0.00182 0.00032 -0.00178 0.00101 0.00010 41 4YY 0.00642 -0.00066 0.00506 -0.00003 -0.00018 42 4ZZ -0.00234 0.00170 -0.00134 -0.00003 0.00002 43 4XY 0.00039 -0.00147 0.00021 -0.00093 -0.00005 44 4XZ 0.00340 0.00530 0.00078 0.00191 -0.00005 45 4YZ -0.00410 -0.00031 -0.00249 0.00173 0.00019 46 4 C 1S -0.00528 -0.00336 -0.01369 0.00238 0.00227 47 2S 0.03319 0.00532 0.04243 -0.01063 -0.00499 48 2PX 0.06258 0.10963 0.01075 0.02031 -0.00126 49 2PY -0.12722 0.00901 -0.09233 -0.02060 0.00696 50 2PZ -0.01568 0.03494 0.00474 0.04579 0.00064 51 3S -0.00851 0.03448 0.01715 0.00084 -0.00356 52 3PX 0.03448 0.07523 0.00230 0.01981 -0.00082 53 3PY -0.01714 -0.00229 -0.01732 -0.01293 0.00164 54 3PZ 0.00083 0.01981 0.01293 0.01830 0.00020 55 4XX -0.00356 -0.00081 -0.00164 0.00021 0.00030 56 4YY 0.01149 -0.00057 0.00273 0.00085 -0.00045 57 4ZZ -0.00851 0.00037 -0.00483 0.00040 0.00033 58 4XY 0.00172 -0.00840 0.00184 -0.00254 -0.00007 59 4XZ 0.00212 0.00081 0.00050 0.00078 0.00002 60 4YZ -0.00433 -0.00212 -0.00016 -0.00298 -0.00010 61 5 H 1S 0.11163 -0.03751 -0.03856 0.06087 -0.00203 62 2S 0.05136 -0.03641 -0.02570 0.04161 0.00088 63 6 H 1S -0.06018 -0.00165 -0.01990 0.00236 0.00081 64 2S -0.06560 0.00208 -0.03591 0.00209 0.00147 65 7 C 1S 0.00180 -0.00602 0.00355 -0.00326 -0.00073 66 2S -0.00136 0.01485 -0.00374 0.01037 0.00068 67 2PX 0.02215 0.02982 0.00268 0.00666 -0.00075 68 2PY -0.01123 -0.01357 0.00680 -0.00130 -0.00005 69 2PZ 0.00471 0.01379 0.00870 0.01234 -0.00027 70 3S 0.00523 0.02068 -0.00411 0.01025 0.00014 71 3PX 0.01598 0.02877 0.00352 0.01176 0.00002 72 3PY 0.00057 -0.00180 -0.00221 -0.00331 -0.00001 73 3PZ 0.00406 0.01373 0.00167 0.00581 -0.00049 74 4XX -0.00201 -0.00155 0.00031 0.00088 -0.00008 75 4YY -0.00025 0.00116 -0.00011 0.00057 0.00000 76 4ZZ 0.00264 -0.00164 0.00033 -0.00229 0.00003 77 4XY -0.00148 0.00406 -0.00142 0.00286 0.00001 78 4XZ -0.00013 -0.00434 0.00108 -0.00204 -0.00014 79 4YZ 0.00005 0.00456 -0.00177 0.00225 0.00004 80 8 C 1S 0.00054 -0.00684 0.00000 -0.00510 -0.00013 81 2S 0.00015 0.01759 -0.00211 0.00931 0.00020 82 2PX -0.01600 0.06940 -0.02336 0.04609 0.00029 83 2PY 0.01386 0.01266 -0.00347 0.00076 -0.00023 84 2PZ -0.01086 0.06698 -0.02405 0.03743 0.00057 85 3S -0.01583 0.02583 -0.00756 0.02020 0.00058 86 3PX -0.01134 0.06199 -0.02273 0.03711 0.00019 87 3PY 0.00543 0.02751 -0.00858 0.01205 0.00002 88 3PZ -0.00496 0.04224 -0.01208 0.02568 0.00055 89 4XX -0.00046 0.00154 -0.00065 0.00092 0.00000 90 4YY 0.00001 0.00039 0.00041 0.00063 0.00001 91 4ZZ 0.00080 -0.00298 0.00042 -0.00198 -0.00004 92 4XY -0.00111 -0.00146 -0.00024 -0.00013 0.00005 93 4XZ -0.00195 -0.00054 -0.00065 0.00062 0.00002 94 4YZ -0.00064 -0.00051 -0.00063 -0.00050 0.00004 95 9 H 1S 0.05321 -0.00062 0.03275 0.00183 -0.00046 96 2S 0.05940 -0.00551 0.04660 -0.00343 -0.00112 97 10 H 1S -0.05395 0.00252 0.00018 0.01405 -0.00033 98 2S -0.05132 0.00957 0.00649 0.02119 0.00003 99 11 C 1S 0.01311 0.00380 0.00348 -0.00236 -0.00035 100 2S -0.02268 -0.00985 -0.00517 0.00299 0.00054 101 2PX 0.06530 0.02459 0.01162 -0.01822 -0.00036 102 2PY 0.01719 -0.01252 -0.00779 -0.01601 0.00008 103 2PZ -0.04682 -0.01384 -0.02513 0.00412 0.00076 104 3S -0.06191 -0.01099 -0.02381 0.01168 0.00171 105 3PX 0.03593 0.00871 0.01073 -0.01061 -0.00035 106 3PY 0.01390 -0.01969 0.00107 -0.01567 -0.00007 107 3PZ -0.02411 -0.00261 -0.01506 0.00319 0.00046 108 4XX -0.00046 0.00163 -0.00205 0.00065 0.00006 109 4YY 0.00085 -0.00143 0.00180 0.00018 0.00000 110 4ZZ 0.00166 -0.00045 0.00058 -0.00151 -0.00007 111 4XY 0.00174 0.00133 0.00012 -0.00093 0.00001 112 4XZ 0.00292 0.00088 0.00124 -0.00014 -0.00001 113 4YZ 0.00025 0.00013 -0.00139 -0.00026 -0.00005 114 12 H 1S 0.01612 -0.00419 0.01296 -0.00567 -0.00017 115 2S 0.02477 0.00014 0.01710 -0.00732 -0.00039 116 13 H 1S 0.02356 0.01370 -0.00497 -0.00836 0.00027 117 2S 0.02297 0.02956 -0.00938 0.00073 0.00023 118 14 C 1S 0.00444 0.00641 -0.00522 -0.00358 -0.00080 119 2S -0.01031 -0.01375 0.00969 0.00673 0.00130 120 2PX -0.01306 -0.02222 -0.01513 0.00044 -0.00055 121 2PY -0.01033 0.00644 0.00585 0.00697 -0.00089 122 2PZ -0.02963 -0.01984 0.03845 0.01134 0.00258 123 3S 0.01325 -0.04951 0.02283 -0.00728 0.00150 124 3PX -0.00856 -0.01467 -0.00355 -0.00516 -0.00067 125 3PY 0.00847 0.01147 0.00722 0.00016 -0.00085 126 3PZ -0.00547 -0.00461 0.01771 0.00544 0.00143 127 4XX -0.00076 -0.00586 0.00178 -0.00163 -0.00001 128 4YY -0.00258 0.00027 0.00013 0.00133 0.00005 129 4ZZ 0.00336 0.00567 -0.00314 -0.00042 -0.00011 130 4XY 0.00144 0.00150 0.00105 -0.00007 0.00001 131 4XZ -0.00060 0.00016 -0.00100 0.00128 0.00005 132 4YZ 0.00064 -0.00078 -0.00167 -0.00106 -0.00009 133 15 H 1S 0.02092 0.01982 -0.02578 -0.00544 -0.00086 134 2S 0.02507 0.04660 -0.03336 -0.00233 -0.00103 135 16 H 1S -0.01502 -0.03448 0.00226 -0.00080 0.00050 136 2S -0.01376 -0.02833 0.00082 -0.00005 0.00001 137 17 H 1S 0.00977 -0.01278 0.00786 -0.00834 -0.00030 138 2S 0.01500 -0.03174 0.01639 -0.01833 -0.00041 139 18 H 1S 0.00796 0.01781 -0.01074 0.00167 0.00048 140 2S 0.00756 0.02038 -0.01380 0.00013 0.00043 141 19 O 1S 0.00144 -0.00170 -0.00117 -0.00120 0.00003 142 2S -0.00728 0.00501 0.00105 0.00429 0.00029 143 2PX 0.02296 0.00606 0.00432 -0.01172 0.00189 144 2PY 0.00489 0.01113 -0.00434 0.00846 0.00082 145 2PZ 0.05106 -0.00745 0.01535 -0.03939 0.00109 146 3S -0.00296 0.01932 0.00177 0.00850 0.00056 147 3PX 0.01867 -0.00007 0.00418 -0.01153 0.00131 148 3PY 0.00433 0.01577 -0.00375 0.00898 0.00067 149 3PZ 0.03327 -0.00944 0.01008 -0.02901 0.00086 150 4XX 0.00091 -0.00020 0.00041 -0.00044 -0.00003 151 4YY 0.00034 0.00150 -0.00035 0.00067 0.00004 152 4ZZ -0.00145 -0.00106 -0.00060 0.00020 -0.00004 153 4XY 0.00080 -0.00012 0.00034 -0.00044 0.00009 154 4XZ 0.00037 -0.00182 0.00029 -0.00077 -0.00007 155 4YZ 0.00217 0.00051 0.00048 -0.00129 0.00002 156 20 O 1S -0.00149 0.00036 0.00011 0.00205 0.00009 157 2S 0.00641 -0.00155 0.00105 -0.00568 -0.00030 158 2PX 0.00853 -0.02169 0.00218 -0.01802 0.00010 159 2PY -0.00834 -0.00125 0.00103 0.00503 0.00007 160 2PZ -0.01135 -0.03541 -0.00042 -0.01214 -0.00015 161 3S 0.00587 0.00152 -0.00014 -0.00464 -0.00071 162 3PX 0.00558 -0.02050 0.00226 -0.01528 0.00000 163 3PY -0.00721 -0.00685 0.00142 0.00110 0.00011 164 3PZ -0.00620 -0.03489 0.00287 -0.01449 -0.00016 165 4XX -0.00044 0.00213 -0.00082 0.00124 0.00003 166 4YY 0.00061 0.00047 0.00010 0.00001 0.00001 167 4ZZ -0.00001 -0.00210 0.00084 -0.00107 -0.00001 168 4XY -0.00006 0.00107 -0.00008 0.00071 -0.00001 169 4XZ -0.00034 -0.00041 -0.00016 -0.00001 0.00000 170 4YZ 0.00041 0.00051 0.00018 -0.00003 0.00001 171 21 C 1S 0.00094 -0.00300 0.00022 -0.00183 -0.00009 172 2S 0.00127 0.01040 -0.00173 0.00465 0.00005 173 2PX 0.00187 0.00523 -0.00230 0.00312 0.00001 174 2PY -0.00091 0.00693 -0.00236 0.00256 0.00017 175 2PZ -0.00741 0.00285 0.00161 0.00213 0.00037 176 3S 0.00125 0.00936 -0.00196 0.00541 0.00004 177 3PX 0.00035 -0.01783 0.00139 -0.00727 0.00007 178 3PY -0.00330 0.00998 -0.00365 0.00533 0.00030 179 3PZ 0.00190 -0.00053 0.00216 -0.00403 0.00023 180 4XX 0.00161 -0.00123 0.00034 -0.00156 0.00007 181 4YY -0.00058 0.00008 -0.00009 0.00036 -0.00007 182 4ZZ -0.00114 0.00004 -0.00003 0.00055 0.00000 183 4XY -0.00034 -0.00088 -0.00002 -0.00038 -0.00005 184 4XZ 0.00144 -0.00114 0.00035 -0.00147 0.00000 185 4YZ -0.00193 -0.00131 -0.00034 0.00071 -0.00005 186 22 H 1S -0.00791 0.00601 -0.00032 0.00599 0.00017 187 2S -0.01359 -0.00451 -0.00105 0.00646 0.00001 188 23 H 1S 0.00698 -0.00700 0.00194 -0.00765 0.00009 189 2S 0.01046 -0.02740 0.00600 -0.02104 0.00027 11 12 13 14 15 11 4YY 0.00115 12 4ZZ -0.00055 0.00110 13 4XY -0.00010 0.00021 0.00077 14 4XZ 0.00028 -0.00017 -0.00002 0.00070 15 4YZ 0.00006 -0.00015 -0.00032 0.00039 0.00134 16 2 C 1S 0.00121 -0.00362 0.00128 0.00125 -0.00482 17 2S -0.00333 0.00683 -0.00250 -0.00243 0.00896 18 2PX 0.00045 -0.00425 -0.00552 -0.00985 -0.00406 19 2PY -0.01327 0.00905 0.00056 -0.00317 -0.00231 20 2PZ -0.00353 -0.00331 -0.00434 -0.00244 0.00890 21 3S -0.00245 0.00651 -0.00289 0.00010 0.01073 22 3PX 0.00142 -0.00442 -0.00489 -0.00561 -0.00132 23 3PY -0.00390 0.00289 -0.00013 0.00002 -0.00060 24 3PZ -0.00120 -0.00262 -0.00337 -0.00237 0.00332 25 4XX -0.00012 0.00007 0.00022 0.00014 -0.00052 26 4YY 0.00096 -0.00069 -0.00013 0.00045 0.00038 27 4ZZ -0.00047 0.00016 0.00017 -0.00046 -0.00038 28 4XY 0.00005 -0.00002 0.00001 -0.00021 0.00005 29 4XZ 0.00026 -0.00040 0.00009 0.00017 0.00030 30 4YZ 0.00008 -0.00031 -0.00014 0.00007 0.00039 31 3 C 1S -0.00101 -0.00001 -0.00018 0.00027 0.00211 32 2S 0.00208 -0.00008 0.00030 -0.00062 -0.00444 33 2PX -0.00238 0.00204 0.00905 0.00203 0.00466 34 2PY -0.00429 0.00059 0.00091 0.00086 0.00633 35 2PZ 0.00262 0.00258 0.00719 -0.00004 -0.00605 36 3S 0.00177 0.00061 0.00033 -0.00094 -0.00699 37 3PX -0.00133 0.00192 0.00702 0.00233 0.00236 38 3PY -0.00120 -0.00061 0.00063 0.00008 0.00322 39 3PZ -0.00025 0.00243 0.00475 -0.00025 -0.00245 40 4XX -0.00014 0.00001 -0.00025 -0.00002 0.00016 41 4YY -0.00003 -0.00025 -0.00002 0.00012 0.00015 42 4ZZ 0.00017 0.00009 0.00023 0.00001 0.00012 43 4XY 0.00007 0.00001 -0.00017 0.00005 -0.00015 44 4XZ -0.00008 0.00001 0.00047 0.00007 0.00009 45 4YZ -0.00038 0.00028 -0.00009 -0.00005 0.00029 46 4 C 1S -0.00698 0.00297 0.00005 -0.00043 -0.00025 47 2S 0.01226 -0.00672 -0.00010 0.00120 -0.00026 48 2PX -0.00002 -0.00035 0.01330 0.00055 -0.00001 49 2PY -0.00598 0.01109 0.00062 -0.00204 0.00121 50 2PZ -0.00110 -0.00034 -0.00048 0.00042 0.01310 51 3S 0.01149 -0.00851 -0.00173 0.00212 0.00433 52 3PX -0.00057 0.00037 0.00840 0.00081 0.00212 53 3PY -0.00273 0.00483 0.00185 -0.00050 -0.00016 54 3PZ 0.00085 0.00041 0.00254 0.00078 0.00298 55 4XX -0.00045 0.00033 0.00007 0.00002 0.00010 56 4YY -0.00015 -0.00011 0.00013 -0.00013 0.00006 57 4ZZ -0.00011 0.00033 -0.00030 -0.00007 -0.00003 58 4XY -0.00013 0.00030 0.00034 0.00017 -0.00044 59 4XZ -0.00013 -0.00007 -0.00017 0.00000 -0.00026 60 4YZ -0.00007 0.00003 -0.00044 0.00026 0.00091 61 5 H 1S -0.00398 0.00567 0.00596 -0.00814 -0.01198 62 2S -0.00348 0.00600 0.00552 -0.00607 -0.01152 63 6 H 1S 0.00186 0.00087 -0.00413 0.00003 0.00776 64 2S -0.00152 0.00200 -0.00450 -0.00047 0.00806 65 7 C 1S -0.00019 -0.00079 -0.00064 -0.00042 -0.00008 66 2S -0.00014 0.00054 0.00110 0.00088 0.00014 67 2PX -0.00203 0.00379 0.00483 0.00371 0.00084 68 2PY 0.00055 -0.00138 -0.00092 -0.00057 -0.00005 69 2PZ -0.00171 0.00331 0.00453 0.00410 0.00075 70 3S -0.00167 0.00223 0.00139 0.00138 0.00157 71 3PX -0.00135 0.00275 0.00429 0.00247 -0.00007 72 3PY -0.00028 -0.00112 -0.00220 -0.00125 0.00037 73 3PZ -0.00116 0.00202 0.00254 0.00261 0.00142 74 4XX 0.00002 0.00034 0.00016 0.00009 -0.00004 75 4YY 0.00008 -0.00010 -0.00001 -0.00003 0.00002 76 4ZZ -0.00005 -0.00020 -0.00016 -0.00007 -0.00003 77 4XY -0.00003 0.00001 -0.00002 -0.00001 -0.00002 78 4XZ -0.00004 0.00024 0.00009 0.00012 -0.00001 79 4YZ 0.00001 0.00005 -0.00005 -0.00003 -0.00003 80 8 C 1S -0.00010 0.00004 0.00000 -0.00007 0.00005 81 2S 0.00011 -0.00016 0.00028 0.00010 0.00032 82 2PX -0.00035 0.00074 0.00042 0.00113 -0.00001 83 2PY -0.00051 0.00118 0.00071 0.00026 0.00007 84 2PZ -0.00016 0.00058 -0.00046 0.00087 -0.00003 85 3S 0.00130 -0.00033 0.00078 0.00070 -0.00103 86 3PX -0.00030 0.00036 0.00031 0.00039 0.00091 87 3PY -0.00056 0.00039 -0.00069 -0.00028 0.00071 88 3PZ 0.00012 0.00040 0.00021 0.00058 -0.00087 89 4XX 0.00004 0.00008 -0.00016 -0.00003 -0.00005 90 4YY 0.00000 0.00000 0.00008 0.00003 0.00004 91 4ZZ -0.00003 -0.00006 -0.00002 -0.00005 -0.00001 92 4XY 0.00008 -0.00023 -0.00031 -0.00019 -0.00002 93 4XZ 0.00006 -0.00007 -0.00031 -0.00005 -0.00011 94 4YZ 0.00008 -0.00020 -0.00030 -0.00021 -0.00004 95 9 H 1S -0.00128 -0.00063 0.00001 0.00045 0.00187 96 2S -0.00111 -0.00081 0.00060 0.00118 0.00241 97 10 H 1S 0.00812 -0.00390 -0.00110 0.00251 0.00540 98 2S 0.00887 -0.00647 -0.00127 0.00294 0.00316 99 11 C 1S -0.00016 0.00006 0.00019 0.00011 -0.00014 100 2S 0.00029 -0.00012 -0.00042 -0.00015 0.00067 101 2PX 0.00029 -0.00036 -0.00099 -0.00019 -0.00117 102 2PY -0.00184 0.00130 -0.00100 -0.00036 0.00007 103 2PZ -0.00088 0.00025 -0.00074 -0.00048 0.00095 104 3S 0.00200 -0.00190 -0.00316 -0.00127 0.00103 105 3PX 0.00052 -0.00053 -0.00054 -0.00016 -0.00135 106 3PY -0.00223 0.00173 -0.00070 -0.00043 0.00022 107 3PZ -0.00037 -0.00022 -0.00025 -0.00036 0.00098 108 4XX 0.00001 -0.00005 -0.00043 -0.00007 -0.00011 109 4YY -0.00009 0.00003 0.00006 0.00001 0.00010 110 4ZZ 0.00003 0.00008 0.00040 0.00004 -0.00011 111 4XY -0.00007 0.00016 -0.00004 -0.00014 -0.00020 112 4XZ -0.00004 0.00002 0.00000 0.00002 0.00009 113 4YZ 0.00002 -0.00011 0.00006 0.00013 0.00019 114 12 H 1S 0.00009 0.00061 0.00118 0.00007 -0.00062 115 2S -0.00011 0.00099 0.00307 0.00015 -0.00105 116 13 H 1S -0.00023 0.00005 -0.00205 -0.00071 -0.00073 117 2S -0.00045 0.00039 -0.00214 -0.00074 -0.00096 118 14 C 1S 0.00084 -0.00123 0.00009 0.00097 0.00088 119 2S -0.00166 0.00202 -0.00010 -0.00212 -0.00188 120 2PX 0.00297 -0.00498 0.00083 0.00441 0.00294 121 2PY 0.00122 -0.00142 0.00141 0.00173 0.00218 122 2PZ -0.00318 0.00489 -0.00066 -0.00494 -0.00270 123 3S -0.00463 0.00425 0.00151 -0.00276 -0.00347 124 3PX 0.00173 -0.00267 -0.00011 0.00257 0.00249 125 3PY -0.00016 -0.00012 0.00119 0.00113 0.00223 126 3PZ -0.00177 0.00200 0.00006 -0.00265 -0.00177 127 4XX -0.00013 0.00034 0.00024 0.00028 -0.00002 128 4YY 0.00035 -0.00027 -0.00006 0.00006 0.00004 129 4ZZ -0.00012 -0.00016 -0.00026 -0.00023 0.00020 130 4XY 0.00008 0.00007 -0.00006 -0.00010 -0.00004 131 4XZ 0.00025 -0.00033 0.00008 0.00020 -0.00006 132 4YZ -0.00006 -0.00005 0.00005 0.00018 0.00002 133 15 H 1S 0.00025 -0.00164 -0.00076 0.00061 0.00052 134 2S 0.00042 -0.00286 -0.00152 0.00015 0.00176 135 16 H 1S 0.00001 -0.00025 0.00095 0.00152 0.00018 136 2S 0.00008 0.00050 0.00209 0.00261 0.00057 137 17 H 1S -0.00033 0.00053 0.00141 0.00031 0.00024 138 2S -0.00052 0.00087 0.00233 0.00077 -0.00015 139 18 H 1S 0.00024 -0.00076 -0.00114 -0.00097 -0.00011 140 2S 0.00047 -0.00211 -0.00285 -0.00166 0.00013 141 19 O 1S 0.00028 0.00067 0.00019 0.00018 0.00005 142 2S -0.00039 -0.00127 -0.00052 -0.00032 0.00006 143 2PX -0.00082 -0.00346 -0.00193 -0.00084 -0.00022 144 2PY 0.00040 0.00045 -0.00018 0.00034 -0.00009 145 2PZ -0.00148 -0.00451 -0.00238 -0.00090 0.00001 146 3S -0.00028 -0.00241 -0.00047 -0.00121 -0.00080 147 3PX -0.00044 -0.00271 -0.00153 -0.00093 -0.00048 148 3PY 0.00032 0.00014 0.00013 0.00014 -0.00010 149 3PZ -0.00085 -0.00364 -0.00237 -0.00098 0.00000 150 4XX -0.00010 0.00012 0.00017 0.00017 0.00007 151 4YY 0.00003 0.00001 -0.00003 0.00002 0.00007 152 4ZZ 0.00006 0.00005 -0.00013 -0.00009 -0.00001 153 4XY -0.00003 -0.00014 -0.00008 -0.00003 -0.00004 154 4XZ -0.00002 0.00007 0.00003 0.00004 -0.00001 155 4YZ -0.00009 -0.00013 -0.00005 0.00001 0.00001 156 20 O 1S 0.00005 -0.00009 -0.00039 0.00001 -0.00016 157 2S -0.00012 0.00025 0.00091 0.00006 0.00020 158 2PX -0.00069 -0.00045 0.00128 -0.00034 0.00087 159 2PY 0.00036 -0.00042 -0.00035 -0.00013 -0.00017 160 2PZ -0.00069 -0.00152 0.00076 -0.00058 0.00064 161 3S -0.00058 0.00027 0.00184 0.00001 0.00139 162 3PX -0.00055 -0.00055 0.00063 -0.00044 0.00081 163 3PY 0.00039 -0.00036 -0.00066 -0.00009 -0.00040 164 3PZ -0.00043 -0.00104 0.00052 -0.00047 0.00035 165 4XX 0.00000 -0.00003 -0.00005 0.00001 -0.00004 166 4YY 0.00000 0.00003 0.00008 0.00003 -0.00002 167 4ZZ 0.00005 0.00005 -0.00003 0.00001 -0.00007 168 4XY 0.00002 0.00004 -0.00002 0.00001 -0.00004 169 4XZ 0.00001 -0.00003 -0.00012 0.00000 -0.00004 170 4YZ 0.00004 0.00001 -0.00008 -0.00002 -0.00002 171 21 C 1S 0.00002 -0.00012 -0.00007 -0.00017 -0.00003 172 2S -0.00008 0.00036 0.00038 0.00037 0.00012 173 2PX 0.00020 0.00074 0.00013 0.00031 -0.00002 174 2PY -0.00003 -0.00072 -0.00085 -0.00048 -0.00029 175 2PZ 0.00024 -0.00003 0.00004 -0.00002 0.00005 176 3S -0.00007 0.00060 0.00040 0.00059 0.00008 177 3PX -0.00005 0.00013 -0.00075 -0.00012 -0.00037 178 3PY 0.00019 -0.00076 -0.00114 -0.00051 -0.00010 179 3PZ -0.00008 -0.00071 -0.00007 -0.00021 0.00012 180 4XX -0.00006 -0.00019 -0.00006 -0.00005 0.00002 181 4YY 0.00001 0.00006 0.00001 0.00003 -0.00001 182 4ZZ 0.00006 0.00007 -0.00001 0.00000 -0.00002 183 4XY -0.00001 0.00007 0.00009 0.00002 0.00002 184 4XZ -0.00009 -0.00016 -0.00003 -0.00003 0.00001 185 4YZ 0.00002 0.00013 0.00014 0.00003 0.00003 186 22 H 1S 0.00029 0.00050 0.00017 0.00018 -0.00001 187 2S 0.00042 0.00117 -0.00023 0.00015 -0.00039 188 23 H 1S -0.00041 -0.00097 -0.00025 -0.00031 0.00007 189 2S -0.00060 -0.00197 -0.00113 -0.00088 -0.00011 16 17 18 19 20 16 2 C 1S 2.05493 17 2S -0.06108 0.32601 18 2PX 0.00137 0.00135 0.34894 19 2PY 0.00186 0.00372 0.01259 0.41139 20 2PZ -0.00409 0.00570 -0.03323 0.01965 0.39186 21 3S -0.19677 0.28868 -0.04142 -0.00160 0.00462 22 3PX 0.00513 -0.00814 0.20158 -0.02642 0.03981 23 3PY -0.00719 -0.00824 -0.02144 0.13270 0.01205 24 3PZ 0.00797 -0.01693 0.04362 -0.00316 0.16555 25 4XX -0.01165 -0.01268 -0.00008 0.00550 -0.00825 26 4YY -0.01845 0.00165 -0.00442 -0.02175 -0.00238 27 4ZZ -0.01376 -0.00746 0.00382 0.00996 0.00780 28 4XY -0.00144 0.00305 0.00713 -0.00232 -0.00298 29 4XZ 0.00268 -0.00572 0.00067 -0.00586 0.00628 30 4YZ -0.00106 0.00231 -0.00357 0.00095 0.01163 31 3 C 1S -0.00459 0.00658 -0.00371 0.01012 -0.00313 32 2S 0.00658 -0.01954 0.00846 -0.02795 0.01041 33 2PX -0.00371 0.00845 -0.10395 0.02502 -0.03146 34 2PY -0.01012 0.02795 -0.02505 0.03608 -0.01682 35 2PZ -0.00313 0.01042 -0.03147 0.01683 -0.05690 36 3S 0.02759 -0.02935 0.01389 -0.03316 -0.02656 37 3PX -0.00343 0.00831 -0.09452 0.02860 -0.04064 38 3PY -0.01020 0.00626 -0.00785 -0.01048 0.02201 39 3PZ -0.00253 0.00977 -0.02867 0.01664 -0.04661 40 4XX -0.00044 -0.00028 0.00117 -0.00089 0.00130 41 4YY -0.00079 0.00055 -0.00141 0.00117 -0.00177 42 4ZZ -0.00044 -0.00001 -0.00073 -0.00036 0.00002 43 4XY -0.00018 0.00039 -0.00017 0.00082 -0.00109 44 4XZ -0.00002 -0.00048 -0.00135 -0.00009 -0.00096 45 4YZ -0.00037 0.00055 -0.00099 0.00066 0.00217 46 4 C 1S -0.00341 0.00799 -0.00013 0.01143 0.00945 47 2S 0.00805 -0.01931 -0.00049 -0.02690 -0.03038 48 2PX 0.00518 -0.01249 -0.02109 -0.00684 -0.01522 49 2PY -0.01241 0.03302 0.00143 0.03367 0.03576 50 2PZ -0.00307 0.00919 -0.00883 0.00518 0.01474 51 3S -0.00219 -0.01801 0.00517 -0.08499 0.04251 52 3PX -0.00079 -0.00485 -0.02906 0.00004 0.00316 53 3PY -0.00504 0.01555 -0.01320 0.04883 -0.01167 54 3PZ 0.00764 -0.00395 -0.01655 -0.00307 -0.04323 55 4XX -0.00014 0.00036 -0.00090 0.00028 -0.00088 56 4YY -0.00100 0.00207 -0.00238 0.00428 0.00262 57 4ZZ -0.00001 -0.00008 0.00204 -0.00059 0.00258 58 4XY 0.00018 -0.00030 -0.00905 0.00091 -0.00719 59 4XZ 0.00027 -0.00062 0.00203 -0.00086 -0.00005 60 4YZ -0.00211 0.00444 -0.00466 0.00633 0.00605 61 5 H 1S 0.01303 -0.02811 0.00994 -0.00381 -0.04387 62 2S 0.01856 -0.03297 0.02490 0.00038 -0.09601 63 6 H 1S -0.00745 0.01733 0.00072 0.01536 0.03355 64 2S -0.01207 0.02472 0.00395 0.03065 0.06995 65 7 C 1S -0.00178 0.00203 0.01014 -0.00431 0.00361 66 2S 0.00088 -0.01175 -0.01512 0.00318 -0.00712 67 2PX -0.00337 0.00216 -0.09617 0.03273 -0.05343 68 2PY -0.00036 0.00341 0.02838 -0.01780 0.01151 69 2PZ -0.00708 0.00895 -0.08499 0.02216 -0.05579 70 3S 0.01627 -0.00059 -0.03823 0.03809 0.00096 71 3PX 0.00364 -0.00783 -0.05825 0.02307 -0.04995 72 3PY 0.00003 0.00570 0.03775 0.00623 0.02707 73 3PZ 0.00155 0.00701 -0.05985 0.01612 -0.01993 74 4XX -0.00145 0.00260 -0.00450 0.00217 -0.00488 75 4YY -0.00025 -0.00060 0.00146 -0.00225 0.00099 76 4ZZ -0.00002 -0.00077 0.00198 -0.00006 0.00252 77 4XY 0.00060 -0.00158 0.00189 0.00082 0.00154 78 4XZ -0.00108 0.00262 -0.00601 0.00199 -0.00294 79 4YZ 0.00072 -0.00176 0.00142 0.00062 0.00120 80 8 C 1S -0.00087 0.00340 -0.00345 0.00462 -0.00223 81 2S 0.00284 -0.00361 0.00871 -0.00684 0.00600 82 2PX 0.00614 -0.01795 0.00239 -0.00664 0.00500 83 2PY -0.00131 0.00281 -0.01762 0.01472 -0.00875 84 2PZ 0.00598 -0.01530 0.01206 -0.00694 0.00835 85 3S -0.00273 -0.01789 0.00114 -0.04083 -0.00820 86 3PX 0.00469 -0.01285 0.00853 -0.00807 0.02080 87 3PY 0.00257 0.00144 0.01041 0.01209 0.01393 88 3PZ 0.00230 -0.01589 0.00856 -0.00736 -0.00722 89 4XX -0.00010 0.00008 0.00067 0.00035 0.00020 90 4YY 0.00014 -0.00011 -0.00040 -0.00008 -0.00049 91 4ZZ -0.00016 0.00093 0.00007 0.00083 -0.00005 92 4XY 0.00029 -0.00009 0.00546 -0.00217 0.00308 93 4XZ 0.00012 -0.00031 0.00234 -0.00093 0.00171 94 4YZ 0.00042 -0.00030 0.00522 -0.00158 0.00311 95 9 H 1S -0.00248 0.00754 -0.00733 0.00905 -0.00837 96 2S -0.00361 0.01354 -0.02065 0.02463 -0.02719 97 10 H 1S -0.05974 0.11313 -0.03566 -0.26354 -0.01524 98 2S -0.01318 0.02654 -0.02582 -0.24292 0.00119 99 11 C 1S -0.00188 0.00452 0.00258 0.00948 -0.00507 100 2S 0.00482 -0.00915 -0.01152 -0.01815 0.01179 101 2PX -0.00233 0.01074 0.01516 0.00543 -0.01074 102 2PY -0.01008 0.02606 0.02638 0.03534 -0.01527 103 2PZ 0.00332 -0.00979 -0.00895 -0.00623 0.01169 104 3S -0.00249 -0.01275 0.02498 -0.08000 0.03943 105 3PX 0.00056 0.00524 0.01174 0.00077 -0.01384 106 3PY -0.00694 0.02183 0.01114 0.05358 -0.01822 107 3PZ -0.00008 -0.00677 -0.00008 -0.00805 0.01469 108 4XX 0.00016 -0.00042 0.00365 -0.00128 0.00196 109 4YY -0.00049 0.00081 -0.00065 0.00189 -0.00247 110 4ZZ -0.00026 0.00065 -0.00200 0.00081 -0.00116 111 4XY -0.00116 0.00266 0.00330 0.00360 -0.00442 112 4XZ -0.00026 0.00086 0.00015 0.00083 -0.00124 113 4YZ 0.00106 -0.00215 -0.00485 -0.00279 0.00362 114 12 H 1S -0.00412 0.01082 0.00464 0.01090 -0.01587 115 2S -0.00540 0.01200 0.00030 0.02098 -0.02861 116 13 H 1S -0.00199 0.00839 0.02437 0.00438 -0.00381 117 2S -0.00265 0.00790 0.03233 0.01230 -0.00476 118 14 C 1S 0.01244 -0.02357 -0.03606 -0.02998 0.04416 119 2S -0.02396 0.03949 0.07419 0.05503 -0.09015 120 2PX 0.04790 -0.10348 -0.10579 -0.09326 0.15607 121 2PY 0.02376 -0.04950 -0.08847 -0.03190 0.07093 122 2PZ -0.04592 0.09405 0.13903 0.08293 -0.13091 123 3S 0.00574 0.02216 0.05713 0.11781 -0.11981 124 3PX 0.00940 -0.03227 -0.05668 -0.04713 0.07739 125 3PY 0.00508 -0.00885 -0.04983 0.00329 0.03351 126 3PZ -0.00844 0.03021 0.07257 0.04277 -0.05937 127 4XX -0.00124 0.00156 -0.00791 0.00281 -0.00508 128 4YY 0.00066 -0.00218 -0.00159 -0.00988 0.00164 129 4ZZ -0.00153 0.00225 0.00636 0.00273 0.00848 130 4XY -0.00307 0.00570 0.00321 -0.00243 -0.00651 131 4XZ 0.00455 -0.00898 -0.00379 -0.00623 0.00419 132 4YZ 0.00296 -0.00534 -0.00633 0.00254 0.00393 133 15 H 1S 0.00836 -0.01923 -0.00782 -0.00216 0.03479 134 2S 0.01324 -0.02578 0.00586 -0.01065 0.08285 135 16 H 1S 0.00784 -0.02317 -0.02370 -0.00467 0.01466 136 2S 0.01198 -0.02844 -0.06285 -0.00794 0.01757 137 17 H 1S -0.00232 0.00538 -0.01953 0.00854 -0.01188 138 2S -0.00405 0.00722 -0.03566 0.01617 -0.03080 139 18 H 1S 0.00589 -0.01361 0.02038 -0.00124 0.02039 140 2S 0.00655 -0.01226 0.04792 -0.01065 0.04125 141 19 O 1S -0.00086 0.00337 -0.01007 0.00120 -0.00238 142 2S 0.00268 -0.00668 0.02195 -0.00203 0.00742 143 2PX 0.00889 -0.01756 0.06628 -0.01290 0.02472 144 2PY -0.00038 -0.00094 0.00085 -0.00424 0.00146 145 2PZ 0.00866 -0.01316 0.06209 -0.01558 0.02921 146 3S 0.00061 -0.01746 0.05591 -0.00874 0.00523 147 3PX 0.00484 -0.01409 0.05226 -0.01129 0.01698 148 3PY 0.00011 -0.00345 0.00650 -0.00475 0.00072 149 3PZ 0.00749 -0.00983 0.05298 -0.01507 0.02888 150 4XX -0.00003 0.00044 -0.00442 0.00134 -0.00168 151 4YY 0.00025 0.00059 0.00045 -0.00067 0.00094 152 4ZZ 0.00030 0.00092 0.00040 0.00037 0.00115 153 4XY 0.00038 -0.00095 0.00295 -0.00044 0.00067 154 4XZ -0.00027 0.00084 -0.00236 0.00032 -0.00077 155 4YZ 0.00036 -0.00061 0.00133 0.00013 0.00079 156 20 O 1S 0.00002 -0.00146 0.00291 -0.00133 0.00101 157 2S -0.00038 0.00284 -0.00861 0.00304 -0.00527 158 2PX -0.00122 0.00717 -0.00223 0.00519 -0.00202 159 2PY 0.00050 -0.00170 0.00768 -0.00657 0.00397 160 2PZ -0.00102 0.00620 0.00800 -0.00389 0.00418 161 3S 0.00101 0.00705 -0.01490 0.00945 0.00559 162 3PX -0.00035 0.00720 0.00157 0.00442 0.00312 163 3PY 0.00003 -0.00141 0.00584 -0.00675 0.00124 164 3PZ -0.00184 0.00706 0.00302 -0.00182 -0.00072 165 4XX 0.00036 -0.00081 0.00128 -0.00060 0.00032 166 4YY -0.00018 -0.00013 -0.00076 -0.00003 -0.00104 167 4ZZ -0.00033 0.00024 -0.00126 0.00029 -0.00124 168 4XY -0.00006 -0.00026 -0.00034 0.00010 -0.00031 169 4XZ 0.00003 -0.00020 0.00061 -0.00015 0.00021 170 4YZ 0.00003 -0.00005 0.00071 -0.00019 0.00044 171 21 C 1S 0.00027 0.00024 0.00298 -0.00030 0.00114 172 2S -0.00037 -0.00033 -0.00788 0.00138 -0.00187 173 2PX -0.00136 0.00248 -0.01145 0.00154 -0.00334 174 2PY 0.00231 -0.00450 0.02133 -0.00326 0.00770 175 2PZ -0.00019 0.00111 0.00274 -0.00073 0.00114 176 3S -0.00011 -0.00143 -0.01460 0.00083 -0.00543 177 3PX -0.00091 0.00222 -0.00299 0.00133 -0.00394 178 3PY 0.00177 -0.00297 0.02403 -0.00634 0.01165 179 3PZ 0.00031 -0.00114 0.01039 -0.00087 0.00566 180 4XX 0.00038 -0.00037 0.00278 -0.00051 0.00110 181 4YY -0.00008 0.00011 -0.00156 0.00022 -0.00039 182 4ZZ -0.00012 0.00031 -0.00053 0.00017 -0.00010 183 4XY -0.00018 0.00052 -0.00176 0.00062 -0.00084 184 4XZ 0.00032 -0.00043 0.00163 -0.00015 0.00077 185 4YZ -0.00046 0.00087 -0.00279 0.00053 -0.00119 186 22 H 1S -0.00090 0.00132 -0.00532 0.00104 -0.00239 187 2S -0.00194 0.00386 -0.01247 0.00334 -0.00851 188 23 H 1S 0.00153 -0.00249 0.01279 -0.00197 0.00486 189 2S 0.00193 -0.00161 0.02779 -0.00339 0.00985 21 22 23 24 25 21 3S 0.29352 22 3PX -0.03134 0.13460 23 3PY 0.00441 -0.02086 0.05434 24 3PZ -0.02127 0.05105 -0.00138 0.08688 25 4XX -0.01007 -0.00215 0.00209 -0.00292 0.00127 26 4YY 0.00408 -0.00070 -0.00642 -0.00124 -0.00040 27 4ZZ -0.00795 0.00300 0.00273 0.00383 0.00022 28 4XY 0.00191 0.00336 -0.00167 0.00000 -0.00012 29 4XZ -0.00466 0.00247 -0.00207 0.00273 -0.00009 30 4YZ 0.00248 -0.00016 0.00083 0.00367 -0.00033 31 3 C 1S 0.02759 -0.00344 0.01020 -0.00252 -0.00044 32 2S -0.02935 0.00831 -0.00626 0.00977 -0.00028 33 2PX 0.01386 -0.09452 0.00784 -0.02866 0.00117 34 2PY 0.03316 -0.02861 -0.01048 -0.01664 0.00089 35 2PZ -0.02657 -0.04063 -0.02201 -0.04662 0.00130 36 3S -0.04354 0.01188 -0.00696 -0.00803 0.00016 37 3PX 0.01186 -0.08214 0.00689 -0.03537 0.00162 38 3PY 0.00697 -0.00690 -0.01224 0.00961 -0.00008 39 3PZ -0.00803 -0.03536 -0.00961 -0.03040 0.00069 40 4XX 0.00016 0.00162 0.00008 0.00069 0.00004 41 4YY 0.00058 -0.00113 -0.00026 -0.00130 -0.00005 42 4ZZ 0.00039 -0.00100 -0.00042 0.00006 0.00011 43 4XY 0.00050 0.00039 0.00061 -0.00089 0.00008 44 4XZ -0.00045 -0.00136 -0.00046 -0.00148 0.00005 45 4YZ 0.00199 -0.00057 0.00084 0.00190 -0.00002 46 4 C 1S 0.00706 -0.00155 0.00344 0.00614 0.00018 47 2S -0.01923 0.00072 -0.00954 -0.01691 -0.00032 48 2PX -0.03007 -0.03302 -0.01632 -0.02829 0.00004 49 2PY 0.02491 -0.01268 -0.00509 0.02793 0.00146 50 2PZ 0.04788 -0.01350 0.00176 0.01868 0.00054 51 3S -0.00699 0.02003 -0.02323 0.02045 -0.00182 52 3PX -0.00547 -0.02961 -0.00540 -0.01332 0.00031 53 3PY 0.01195 -0.02142 0.00733 -0.00760 0.00178 54 3PZ 0.00648 -0.02114 -0.00345 -0.02031 0.00101 55 4XX 0.00071 -0.00118 -0.00002 -0.00014 0.00010 56 4YY 0.00177 -0.00133 0.00120 -0.00025 -0.00014 57 4ZZ 0.00061 0.00192 0.00061 0.00243 0.00001 58 4XY -0.00034 -0.00702 0.00063 -0.00475 0.00025 59 4XZ -0.00094 0.00233 -0.00008 -0.00025 -0.00002 60 4YZ 0.00699 -0.00236 0.00322 0.00245 -0.00016 61 5 H 1S -0.05137 -0.00537 -0.00706 -0.01816 0.00274 62 2S -0.05570 -0.00627 -0.00967 -0.03605 0.00426 63 6 H 1S 0.03976 0.00069 0.00619 0.02891 -0.00008 64 2S 0.04600 0.00681 0.01434 0.04556 -0.00094 65 7 C 1S 0.00643 -0.00004 -0.00140 0.00539 -0.00117 66 2S -0.00116 -0.00216 0.00541 -0.00889 0.00202 67 2PX -0.00328 -0.06339 0.00957 -0.04567 0.00413 68 2PY 0.00309 0.01665 0.00034 0.02344 -0.00259 69 2PZ 0.03656 -0.06052 0.02168 -0.04285 0.00356 70 3S 0.01384 -0.01593 0.01741 -0.01386 0.00247 71 3PX -0.00397 -0.04197 0.00784 -0.03718 0.00353 72 3PY 0.00071 0.02790 -0.00033 0.02219 -0.00196 73 3PZ 0.01977 -0.03872 0.01251 -0.02313 0.00187 74 4XX 0.00638 -0.00377 0.00275 -0.00391 -0.00016 75 4YY -0.00161 0.00109 -0.00074 0.00119 -0.00007 76 4ZZ -0.00388 0.00146 -0.00224 0.00186 0.00014 77 4XY 0.00038 0.00156 0.00189 0.00098 0.00005 78 4XZ 0.00234 -0.00458 0.00115 -0.00211 -0.00007 79 4YZ -0.00168 0.00232 0.00026 -0.00021 0.00008 80 8 C 1S -0.00191 -0.00291 -0.00119 -0.00259 0.00024 81 2S -0.00263 0.00729 -0.00026 0.00498 -0.00030 82 2PX 0.00497 0.01484 0.01266 -0.00068 0.00127 83 2PY 0.00301 -0.01430 -0.00281 -0.01855 0.00119 84 2PZ -0.00918 0.02573 0.00905 -0.00178 0.00139 85 3S -0.00973 0.00298 -0.00289 -0.00039 0.00013 86 3PX 0.00120 0.01711 0.00775 0.00678 0.00033 87 3PY 0.00634 0.01234 0.00361 0.00139 -0.00014 88 3PZ -0.00800 0.01410 0.00454 -0.00698 0.00142 89 4XX 0.00043 0.00098 0.00086 -0.00015 -0.00003 90 4YY 0.00088 -0.00024 0.00030 -0.00009 0.00002 91 4ZZ -0.00051 -0.00054 -0.00100 -0.00011 0.00000 92 4XY 0.00001 0.00373 -0.00080 0.00275 -0.00022 93 4XZ 0.00077 0.00235 0.00078 0.00178 -0.00009 94 4YZ -0.00202 0.00404 -0.00121 0.00259 -0.00017 95 9 H 1S 0.00683 -0.00885 -0.00887 -0.00707 0.00003 96 2S 0.01579 -0.02052 -0.00300 -0.01990 0.00000 97 10 H 1S 0.11156 -0.00247 -0.08502 -0.01081 -0.00811 98 2S 0.03261 0.00816 -0.07297 0.00332 -0.00547 99 11 C 1S 0.00063 0.00005 0.00297 -0.00497 0.00045 100 2S -0.00690 -0.00390 -0.00873 0.00965 -0.00095 101 2PX -0.01494 0.01466 -0.02169 -0.02705 0.00047 102 2PY 0.02631 0.01498 0.01261 -0.01785 0.00244 103 2PZ -0.01129 -0.00689 0.01256 0.01018 -0.00109 104 3S -0.00945 0.02906 -0.02681 0.03637 -0.00265 105 3PX -0.01044 0.00963 -0.01197 -0.01673 -0.00002 106 3PY 0.01954 0.00004 0.01613 -0.01327 0.00159 107 3PZ -0.00763 -0.00018 0.00304 0.01047 -0.00061 108 4XX -0.00068 0.00402 0.00000 0.00058 -0.00003 109 4YY 0.00049 -0.00173 0.00037 -0.00042 0.00006 110 4ZZ 0.00034 -0.00215 -0.00033 -0.00125 0.00010 111 4XY 0.00074 0.00168 -0.00002 -0.00246 -0.00019 112 4XZ 0.00067 0.00003 -0.00076 -0.00127 0.00006 113 4YZ -0.00239 -0.00205 -0.00053 0.00114 -0.00022 114 12 H 1S 0.01433 -0.00148 -0.00439 -0.00934 0.00148 115 2S 0.01287 -0.01140 -0.00184 -0.01853 0.00239 116 13 H 1S -0.00714 0.02215 -0.00996 -0.01260 -0.00032 117 2S -0.00384 0.02882 -0.00250 -0.01211 -0.00043 118 14 C 1S 0.00108 -0.00169 -0.00483 0.00524 -0.00217 119 2S 0.01380 0.01259 0.01502 -0.01805 0.00325 120 2PX -0.06880 -0.04388 -0.00853 0.05917 0.00835 121 2PY -0.03177 -0.03958 -0.01132 0.02976 -0.00373 122 2PZ 0.09339 0.03896 0.01735 -0.04187 0.00581 123 3S -0.00960 -0.01346 0.02719 -0.03146 0.00542 124 3PX -0.01393 -0.02374 -0.00357 0.02816 0.00303 125 3PY -0.00118 -0.02542 -0.00175 0.00869 -0.00205 126 3PZ 0.02438 0.02246 0.00471 -0.01695 0.00314 127 4XX 0.00362 -0.00668 0.00209 -0.00403 0.00072 128 4YY -0.00155 0.00045 -0.00350 0.00121 -0.00030 129 4ZZ -0.00028 0.00567 0.00007 0.00431 -0.00057 130 4XY 0.00384 0.00178 -0.00226 -0.00329 -0.00043 131 4XZ -0.00794 -0.00103 -0.00120 0.00202 0.00031 132 4YZ -0.00518 -0.00285 0.00178 0.00106 -0.00007 133 15 H 1S -0.03973 0.00861 0.00045 0.01726 -0.00315 134 2S -0.04433 0.02828 -0.00503 0.03715 -0.00458 135 16 H 1S -0.01004 -0.02696 0.01210 0.00690 0.00852 136 2S -0.00441 -0.04470 0.01396 -0.00203 0.00744 137 17 H 1S 0.00796 -0.02138 -0.00249 -0.01045 0.00033 138 2S 0.00730 -0.03645 -0.00298 -0.02163 0.00129 139 18 H 1S -0.02748 0.02254 -0.01068 0.00693 0.00073 140 2S -0.03275 0.04294 -0.01625 0.02356 -0.00068 141 19 O 1S 0.00144 -0.00263 -0.00206 -0.00641 0.00006 142 2S 0.00391 0.00682 0.00694 0.01294 -0.00008 143 2PX -0.04867 0.04551 -0.02805 0.03115 0.00328 144 2PY 0.02110 0.01179 -0.00718 -0.01288 -0.00016 145 2PZ -0.09209 0.03826 -0.05302 0.04297 0.00250 146 3S -0.02042 0.02385 0.00110 0.02508 -0.00019 147 3PX -0.04104 0.03456 -0.02403 0.02364 0.00191 148 3PY 0.00961 0.01157 -0.00612 -0.00743 0.00012 149 3PZ -0.06527 0.03394 -0.03854 0.03638 0.00158 150 4XX 0.00033 -0.00300 0.00034 -0.00159 0.00023 151 4YY 0.00178 0.00115 -0.00060 -0.00051 -0.00007 152 4ZZ 0.00200 0.00059 0.00102 0.00014 -0.00017 153 4XY -0.00204 0.00209 -0.00096 0.00127 0.00014 154 4XZ 0.00053 -0.00173 0.00002 -0.00067 -0.00003 155 4YZ -0.00375 0.00076 -0.00165 0.00120 0.00017 156 20 O 1S 0.00457 0.00208 0.00260 0.00092 -0.00012 157 2S -0.01157 -0.00614 -0.00614 -0.00469 0.00034 158 2PX -0.01281 -0.00674 -0.01517 -0.00523 0.00028 159 2PY 0.00840 0.00805 -0.00076 0.00885 -0.00028 160 2PZ -0.00222 -0.00039 -0.01151 0.00887 -0.00064 161 3S -0.00785 -0.01130 -0.00441 0.00201 -0.00003 162 3PX -0.00781 -0.00337 -0.01144 0.00045 -0.00008 163 3PY 0.00526 0.00639 -0.00116 0.00584 -0.00023 164 3PZ -0.00102 -0.00407 -0.00955 0.00421 -0.00059 165 4XX -0.00078 0.00131 -0.00004 0.00027 0.00006 166 4YY -0.00018 -0.00066 -0.00002 -0.00119 0.00002 167 4ZZ 0.00069 -0.00124 0.00035 -0.00071 -0.00001 168 4XY 0.00056 -0.00016 0.00050 -0.00023 0.00001 169 4XZ -0.00010 0.00064 0.00005 0.00038 0.00001 170 4YZ -0.00019 0.00054 0.00017 0.00034 -0.00004 171 21 C 1S -0.00367 0.00194 -0.00126 0.00180 0.00012 172 2S 0.00582 -0.00377 0.00123 -0.00621 -0.00003 173 2PX 0.01153 -0.00373 0.00221 -0.01195 -0.00057 174 2PY -0.01392 0.01393 0.00028 0.01122 0.00046 175 2PZ 0.00543 0.00371 0.00570 0.00117 -0.00027 176 3S 0.00443 -0.00692 0.00087 -0.00892 0.00036 177 3PX 0.00018 -0.00163 -0.00249 -0.00282 -0.00001 178 3PY -0.00332 0.01832 -0.00133 0.01093 -0.00026 179 3PZ -0.00744 0.00652 -0.00362 0.00588 0.00012 180 4XX -0.00272 0.00166 -0.00214 0.00123 0.00011 181 4YY 0.00080 -0.00111 0.00083 -0.00030 -0.00008 182 4ZZ 0.00178 -0.00018 0.00126 -0.00035 -0.00006 183 4XY -0.00033 -0.00147 0.00048 -0.00065 0.00003 184 4XZ -0.00332 0.00067 -0.00188 0.00154 0.00013 185 4YZ 0.00359 -0.00202 0.00136 -0.00160 -0.00013 186 22 H 1S 0.01209 -0.00158 0.00876 -0.00402 -0.00031 187 2S 0.02083 -0.00651 0.01473 -0.00777 -0.00056 188 23 H 1S -0.01619 0.00530 -0.01053 0.00920 0.00061 189 2S -0.02883 0.01288 -0.01947 0.01837 0.00067 26 27 28 29 30 26 4YY 0.00185 27 4ZZ -0.00083 0.00134 28 4XY 0.00016 -0.00014 0.00038 29 4XZ 0.00034 0.00007 0.00002 0.00090 30 4YZ 0.00008 0.00006 -0.00024 0.00012 0.00071 31 3 C 1S -0.00079 -0.00044 0.00018 -0.00002 0.00037 32 2S 0.00055 -0.00001 -0.00039 -0.00047 -0.00055 33 2PX -0.00141 -0.00073 0.00017 -0.00135 0.00098 34 2PY -0.00117 0.00036 0.00082 0.00009 0.00066 35 2PZ -0.00176 0.00002 0.00109 -0.00096 -0.00217 36 3S 0.00058 0.00039 -0.00050 -0.00045 -0.00199 37 3PX -0.00113 -0.00100 -0.00039 -0.00136 0.00057 38 3PY 0.00026 0.00042 0.00061 0.00046 0.00084 39 3PZ -0.00130 0.00006 0.00089 -0.00148 -0.00190 40 4XX -0.00005 0.00011 -0.00008 0.00005 0.00002 41 4YY 0.00037 -0.00018 0.00010 0.00001 0.00011 42 4ZZ -0.00018 0.00007 0.00000 0.00011 -0.00007 43 4XY -0.00010 0.00000 -0.00018 -0.00011 0.00008 44 4XZ 0.00001 0.00011 0.00011 0.00039 -0.00003 45 4YZ -0.00011 0.00007 0.00008 0.00003 -0.00021 46 4 C 1S -0.00185 0.00103 0.00017 -0.00043 -0.00123 47 2S 0.00428 -0.00218 -0.00048 0.00068 0.00226 48 2PX -0.00018 0.00229 0.00264 0.00707 0.00037 49 2PY -0.00989 0.00349 0.00132 -0.00076 -0.00717 50 2PZ -0.00142 0.00131 0.00153 0.00333 -0.00061 51 3S 0.00641 -0.00234 -0.00040 0.00340 0.00410 52 3PX -0.00066 0.00169 0.00147 0.00530 0.00031 53 3PY -0.00506 0.00134 0.00022 -0.00078 -0.00249 54 3PZ -0.00003 -0.00003 0.00093 0.00191 -0.00173 55 4XX -0.00018 0.00002 0.00005 -0.00005 -0.00020 56 4YY -0.00003 0.00017 -0.00007 -0.00008 0.00038 57 4ZZ -0.00025 0.00009 -0.00001 0.00001 -0.00028 58 4XY 0.00002 -0.00023 -0.00017 -0.00047 -0.00009 59 4XZ 0.00012 0.00001 -0.00005 0.00007 0.00005 60 4YZ -0.00015 -0.00012 -0.00015 -0.00009 0.00029 61 5 H 1S -0.00556 0.00658 0.00010 -0.00402 -0.00406 62 2S -0.00527 0.00407 0.00095 -0.00382 -0.00629 63 6 H 1S -0.00252 0.00052 0.00010 0.00007 -0.00104 64 2S -0.00366 0.00154 0.00001 0.00002 -0.00036 65 7 C 1S 0.00008 -0.00041 0.00011 -0.00101 0.00033 66 2S -0.00132 0.00005 -0.00072 0.00281 -0.00075 67 2PX -0.00200 0.00061 -0.00214 0.00601 -0.00200 68 2PY 0.00199 -0.00069 -0.00057 -0.00293 -0.00008 69 2PZ -0.00090 -0.00119 -0.00182 0.00182 -0.00168 70 3S -0.00286 0.00019 -0.00121 0.00360 -0.00034 71 3PX -0.00204 0.00070 -0.00115 0.00414 -0.00204 72 3PY -0.00003 0.00085 0.00008 -0.00154 0.00065 73 3PZ -0.00072 -0.00039 -0.00128 0.00210 -0.00043 74 4XX 0.00001 -0.00010 0.00002 -0.00029 -0.00009 75 4YY 0.00015 0.00002 0.00001 0.00009 0.00000 76 4ZZ -0.00003 0.00004 0.00003 -0.00001 0.00010 77 4XY -0.00011 0.00014 -0.00001 0.00024 -0.00002 78 4XZ 0.00007 -0.00016 -0.00011 -0.00027 -0.00001 79 4YZ -0.00014 0.00021 -0.00003 0.00044 -0.00005 80 8 C 1S -0.00007 0.00001 0.00027 -0.00049 0.00025 81 2S 0.00036 0.00038 -0.00025 0.00107 -0.00040 82 2PX -0.00064 0.00194 -0.00123 0.00619 -0.00130 83 2PY -0.00103 0.00083 0.00074 0.00141 0.00016 84 2PZ -0.00063 0.00185 -0.00073 0.00555 -0.00105 85 3S 0.00170 0.00004 -0.00048 0.00209 -0.00116 86 3PX -0.00053 0.00198 -0.00048 0.00506 -0.00053 87 3PY -0.00098 0.00133 0.00017 0.00188 0.00013 88 3PZ -0.00051 0.00116 -0.00049 0.00352 -0.00100 89 4XX -0.00004 0.00004 0.00002 0.00011 -0.00003 90 4YY -0.00001 -0.00003 -0.00003 0.00004 -0.00003 91 4ZZ 0.00001 -0.00004 0.00007 -0.00023 0.00008 92 4XY 0.00012 -0.00002 0.00009 -0.00026 0.00010 93 4XZ 0.00006 -0.00003 -0.00008 -0.00006 0.00001 94 4YZ 0.00007 0.00005 0.00009 -0.00011 0.00008 95 9 H 1S 0.00087 -0.00035 0.00061 0.00011 0.00036 96 2S 0.00156 -0.00131 0.00078 -0.00002 0.00046 97 10 H 1S 0.01662 -0.01016 0.00237 0.00185 0.00063 98 2S 0.01575 -0.00812 0.00162 0.00344 0.00083 99 11 C 1S -0.00142 0.00046 -0.00079 -0.00011 0.00080 100 2S 0.00319 -0.00115 0.00142 0.00021 -0.00154 101 2PX -0.00069 0.00134 -0.00048 0.00108 0.00075 102 2PY -0.00808 0.00239 -0.00547 -0.00207 0.00493 103 2PZ 0.00084 -0.00022 0.00059 -0.00078 -0.00059 104 3S 0.00575 -0.00201 0.00197 0.00035 -0.00156 105 3PX 0.00023 0.00031 -0.00015 0.00028 0.00036 106 3PY -0.00556 0.00155 -0.00250 -0.00257 0.00195 107 3PZ 0.00032 0.00032 0.00042 -0.00025 -0.00007 108 4XX -0.00010 0.00014 -0.00020 0.00013 0.00011 109 4YY 0.00009 -0.00005 0.00026 -0.00024 -0.00023 110 4ZZ -0.00023 0.00002 -0.00012 -0.00004 0.00014 111 4XY -0.00016 0.00019 0.00005 -0.00006 -0.00017 112 4XZ -0.00006 0.00004 -0.00001 0.00006 0.00001 113 4YZ 0.00012 0.00025 -0.00011 0.00007 0.00011 114 12 H 1S -0.00152 -0.00049 -0.00075 -0.00039 0.00062 115 2S -0.00248 -0.00056 -0.00054 -0.00038 0.00067 116 13 H 1S -0.00102 0.00150 -0.00086 0.00039 0.00054 117 2S -0.00202 0.00252 -0.00114 0.00119 0.00035 118 14 C 1S 0.00156 -0.00143 -0.00239 0.00437 0.00280 119 2S -0.00345 0.00169 0.00462 -0.00808 -0.00538 120 2PX 0.00282 -0.00375 -0.00337 0.00314 0.00632 121 2PY 0.00945 -0.00316 0.00343 0.00565 -0.00256 122 2PZ -0.00289 -0.00993 0.00554 -0.00345 -0.00441 123 3S -0.00724 0.00263 0.00422 -0.01029 -0.00641 124 3PX 0.00228 -0.00258 -0.00160 0.00109 0.00361 125 3PY 0.00365 -0.00115 0.00156 0.00312 -0.00078 126 3PZ -0.00214 -0.00367 0.00259 -0.00117 -0.00221 127 4XX -0.00025 -0.00050 -0.00023 -0.00024 0.00007 128 4YY 0.00084 -0.00035 0.00017 0.00032 -0.00012 129 4ZZ -0.00041 0.00080 -0.00011 0.00005 0.00032 130 4XY 0.00024 -0.00003 0.00014 -0.00001 -0.00019 131 4XZ 0.00014 0.00018 -0.00017 0.00018 0.00010 132 4YZ -0.00018 0.00051 -0.00025 -0.00001 0.00011 133 15 H 1S -0.00269 0.00875 -0.00196 -0.00197 0.00112 134 2S -0.00207 0.00871 -0.00230 0.00141 0.00287 135 16 H 1S -0.00239 -0.00292 -0.00078 -0.00298 0.00156 136 2S -0.00166 -0.00322 -0.00205 -0.00037 0.00201 137 17 H 1S -0.00020 -0.00034 0.00021 -0.00086 0.00012 138 2S -0.00042 -0.00109 0.00013 -0.00197 0.00006 139 18 H 1S -0.00118 0.00145 0.00043 0.00289 0.00033 140 2S -0.00045 0.00205 0.00066 0.00206 0.00099 141 19 O 1S 0.00031 0.00003 -0.00009 -0.00002 -0.00011 142 2S -0.00072 -0.00014 0.00028 0.00003 0.00026 143 2PX -0.00077 0.00034 0.00102 0.00068 0.00025 144 2PY 0.00000 0.00011 -0.00006 0.00041 -0.00032 145 2PZ 0.00015 0.00078 0.00019 0.00165 0.00033 146 3S -0.00078 0.00104 0.00071 0.00046 -0.00033 147 3PX -0.00033 0.00043 0.00084 0.00008 0.00012 148 3PY -0.00010 0.00035 0.00010 0.00086 -0.00035 149 3PZ 0.00028 0.00031 0.00031 0.00070 0.00054 150 4XX -0.00008 -0.00007 -0.00009 0.00016 -0.00002 151 4YY 0.00004 -0.00002 0.00001 0.00008 0.00002 152 4ZZ 0.00001 -0.00003 0.00003 -0.00015 0.00008 153 4XY -0.00002 0.00001 0.00002 -0.00003 -0.00001 154 4XZ 0.00005 -0.00005 -0.00005 -0.00011 0.00001 155 4YZ -0.00004 0.00006 -0.00001 0.00017 0.00001 156 20 O 1S -0.00012 -0.00010 -0.00009 0.00001 -0.00003 157 2S 0.00021 0.00019 0.00022 0.00001 -0.00002 158 2PX 0.00017 -0.00013 0.00113 -0.00181 0.00051 159 2PY 0.00052 -0.00023 -0.00053 -0.00036 -0.00004 160 2PZ 0.00104 -0.00053 0.00061 -0.00291 0.00067 161 3S 0.00004 0.00037 0.00019 0.00034 0.00034 162 3PX 0.00017 -0.00021 0.00088 -0.00170 0.00056 163 3PY 0.00054 -0.00038 -0.00043 -0.00067 -0.00006 164 3PZ 0.00085 -0.00068 0.00053 -0.00291 0.00055 165 4XX -0.00001 0.00007 -0.00002 0.00018 -0.00003 166 4YY -0.00001 0.00001 0.00003 0.00004 -0.00002 167 4ZZ 0.00000 -0.00008 -0.00001 -0.00017 0.00001 168 4XY -0.00003 0.00002 -0.00002 0.00010 -0.00002 169 4XZ 0.00000 -0.00001 -0.00003 0.00000 0.00000 170 4YZ -0.00001 0.00000 0.00000 0.00002 -0.00001 171 21 C 1S 0.00016 0.00000 0.00009 -0.00028 0.00002 172 2S -0.00029 0.00021 -0.00009 0.00103 -0.00011 173 2PX 0.00007 0.00019 -0.00001 0.00039 -0.00014 174 2PY -0.00011 0.00036 0.00032 0.00031 0.00006 175 2PZ 0.00020 0.00013 0.00026 -0.00035 0.00013 176 3S -0.00018 0.00015 -0.00023 0.00132 -0.00028 177 3PX 0.00014 -0.00032 -0.00004 -0.00112 -0.00004 178 3PY 0.00009 0.00034 0.00020 0.00033 0.00009 179 3PZ 0.00009 0.00010 0.00030 -0.00019 0.00027 180 4XX 0.00000 -0.00001 0.00007 -0.00008 0.00004 181 4YY 0.00002 0.00000 -0.00007 0.00004 -0.00001 182 4ZZ 0.00000 -0.00003 0.00001 -0.00008 0.00002 183 4XY 0.00001 -0.00002 0.00002 -0.00005 0.00001 184 4XZ -0.00001 0.00001 0.00000 0.00002 0.00003 185 4YZ 0.00004 -0.00006 0.00000 -0.00017 0.00001 186 22 H 1S -0.00002 0.00003 0.00004 0.00001 -0.00002 187 2S -0.00005 -0.00026 -0.00022 -0.00094 -0.00021 188 23 H 1S -0.00012 -0.00010 0.00014 -0.00018 0.00016 189 2S 0.00015 -0.00040 0.00043 -0.00174 0.00049 31 32 33 34 35 31 3 C 1S 2.05494 32 2S -0.06108 0.32600 33 2PX 0.00137 0.00135 0.34895 34 2PY -0.00186 -0.00372 -0.01260 0.41139 35 2PZ -0.00409 0.00570 -0.03323 -0.01965 0.39185 36 3S -0.19678 0.28869 -0.04144 0.00159 0.00461 37 3PX 0.00513 -0.00814 0.20156 0.02642 0.03981 38 3PY 0.00719 0.00824 0.02145 0.13272 -0.01204 39 3PZ 0.00797 -0.01693 0.04362 0.00315 0.16555 40 4XX -0.01165 -0.01268 -0.00008 -0.00550 -0.00825 41 4YY -0.01845 0.00165 -0.00442 0.02175 -0.00237 42 4ZZ -0.01376 -0.00746 0.00382 -0.00996 0.00779 43 4XY 0.00144 -0.00305 -0.00713 -0.00233 0.00297 44 4XZ 0.00268 -0.00572 0.00067 0.00585 0.00628 45 4YZ 0.00106 -0.00231 0.00356 0.00096 -0.01163 46 4 C 1S 0.01820 -0.03387 0.01247 0.03915 -0.06920 47 2S -0.03656 0.06338 -0.02887 -0.07811 0.14401 48 2PX -0.01016 0.01980 0.18250 0.00828 0.15740 49 2PY -0.03660 0.07638 -0.00834 -0.05069 0.15693 50 2PZ 0.07343 -0.14773 0.12419 0.15366 -0.18242 51 3S 0.00947 0.01598 -0.01393 -0.09104 0.06287 52 3PX 0.00716 -0.00751 0.12105 0.02350 0.07216 53 3PY -0.00664 0.01372 0.00596 0.00955 0.08829 54 3PZ 0.00572 -0.03328 0.06022 0.05156 -0.01034 55 4XX 0.00197 -0.00391 0.00459 0.00268 -0.00489 56 4YY 0.00121 -0.00332 0.00045 0.01327 -0.00352 57 4ZZ -0.00362 0.00683 -0.00425 -0.00905 -0.00331 58 4XY -0.00128 0.00250 0.00553 0.00056 0.00434 59 4XZ 0.00125 -0.00243 -0.00985 0.00316 -0.00244 60 4YZ 0.00482 -0.00896 0.00406 -0.00230 -0.00890 61 5 H 1S -0.00745 0.01733 0.00073 -0.01537 0.03355 62 2S -0.01207 0.02472 0.00396 -0.03066 0.06994 63 6 H 1S 0.01303 -0.02811 0.00993 0.00382 -0.04387 64 2S 0.01856 -0.03297 0.02490 -0.00035 -0.09600 65 7 C 1S -0.00087 0.00340 -0.00345 -0.00462 -0.00223 66 2S 0.00284 -0.00361 0.00871 0.00685 0.00600 67 2PX 0.00614 -0.01796 0.00239 0.00664 0.00500 68 2PY 0.00131 -0.00280 0.01762 0.01473 0.00876 69 2PZ 0.00598 -0.01531 0.01206 0.00695 0.00835 70 3S -0.00273 -0.01789 0.00113 0.04084 -0.00819 71 3PX 0.00469 -0.01285 0.00854 0.00807 0.02081 72 3PY -0.00257 -0.00144 -0.01041 0.01209 -0.01393 73 3PZ 0.00230 -0.01589 0.00856 0.00737 -0.00722 74 4XX -0.00010 0.00008 0.00067 -0.00035 0.00020 75 4YY 0.00014 -0.00011 -0.00040 0.00009 -0.00049 76 4ZZ -0.00016 0.00093 0.00006 -0.00083 -0.00005 77 4XY -0.00029 0.00009 -0.00546 -0.00217 -0.00308 78 4XZ 0.00012 -0.00031 0.00234 0.00092 0.00171 79 4YZ -0.00042 0.00030 -0.00522 -0.00158 -0.00311 80 8 C 1S -0.00178 0.00203 0.01015 0.00432 0.00361 81 2S 0.00088 -0.01176 -0.01513 -0.00319 -0.00713 82 2PX -0.00337 0.00217 -0.09618 -0.03274 -0.05345 83 2PY 0.00036 -0.00341 -0.02837 -0.01781 -0.01151 84 2PZ -0.00708 0.00896 -0.08500 -0.02217 -0.05580 85 3S 0.01627 -0.00059 -0.03824 -0.03810 0.00095 86 3PX 0.00364 -0.00783 -0.05824 -0.02308 -0.04996 87 3PY -0.00003 -0.00570 -0.03774 0.00624 -0.02707 88 3PZ 0.00155 0.00701 -0.05985 -0.01613 -0.01994 89 4XX -0.00145 0.00260 -0.00450 -0.00217 -0.00488 90 4YY -0.00025 -0.00060 0.00146 0.00225 0.00099 91 4ZZ -0.00002 -0.00077 0.00198 0.00006 0.00252 92 4XY -0.00060 0.00158 -0.00189 0.00082 -0.00154 93 4XZ -0.00108 0.00262 -0.00601 -0.00200 -0.00294 94 4YZ -0.00072 0.00176 -0.00142 0.00062 -0.00120 95 9 H 1S -0.05974 0.11313 -0.03571 0.26354 -0.01518 96 2S -0.01318 0.02654 -0.02586 0.24291 0.00125 97 10 H 1S -0.00248 0.00754 -0.00732 -0.00905 -0.00837 98 2S -0.00361 0.01354 -0.02064 -0.02462 -0.02719 99 11 C 1S 0.01244 -0.02357 -0.03607 0.02996 0.04416 100 2S -0.02396 0.03949 0.07420 -0.05499 -0.09017 101 2PX 0.04790 -0.10349 -0.10583 0.09321 0.15610 102 2PY -0.02374 0.04946 0.08842 -0.03182 -0.07088 103 2PZ -0.04592 0.09406 0.13907 -0.08288 -0.13095 104 3S 0.00574 0.02216 0.05716 -0.11777 -0.11983 105 3PX 0.00940 -0.03226 -0.05671 0.04710 0.07740 106 3PY -0.00508 0.00883 0.04981 0.00333 -0.03348 107 3PZ -0.00844 0.03021 0.07260 -0.04275 -0.05938 108 4XX -0.00124 0.00156 -0.00791 -0.00281 -0.00508 109 4YY 0.00066 -0.00218 -0.00160 0.00988 0.00164 110 4ZZ -0.00153 0.00225 0.00636 -0.00273 0.00848 111 4XY 0.00307 -0.00569 -0.00321 -0.00244 0.00650 112 4XZ 0.00456 -0.00898 -0.00380 0.00623 0.00419 113 4YZ -0.00296 0.00534 0.00633 0.00254 -0.00393 114 12 H 1S 0.00836 -0.01923 -0.00781 0.00216 0.03479 115 2S 0.01324 -0.02578 0.00586 0.01064 0.08286 116 13 H 1S 0.00784 -0.02317 -0.02370 0.00466 0.01467 117 2S 0.01198 -0.02844 -0.06285 0.00791 0.01758 118 14 C 1S -0.00188 0.00452 0.00258 -0.00947 -0.00507 119 2S 0.00482 -0.00915 -0.01152 0.01815 0.01179 120 2PX -0.00233 0.01074 0.01517 -0.00543 -0.01074 121 2PY 0.01008 -0.02605 -0.02638 0.03533 0.01528 122 2PZ 0.00332 -0.00980 -0.00895 0.00623 0.01170 123 3S -0.00249 -0.01275 0.02495 0.07999 0.03944 124 3PX 0.00056 0.00525 0.01174 -0.00078 -0.01384 125 3PY 0.00694 -0.02183 -0.01115 0.05357 0.01823 126 3PZ -0.00007 -0.00678 -0.00008 0.00806 0.01470 127 4XX 0.00016 -0.00042 0.00365 0.00128 0.00196 128 4YY -0.00049 0.00081 -0.00065 -0.00189 -0.00247 129 4ZZ -0.00026 0.00065 -0.00200 -0.00081 -0.00116 130 4XY 0.00116 -0.00266 -0.00330 0.00360 0.00442 131 4XZ -0.00026 0.00086 0.00015 -0.00083 -0.00124 132 4YZ -0.00106 0.00215 0.00485 -0.00279 -0.00362 133 15 H 1S -0.00412 0.01082 0.00465 -0.01090 -0.01587 134 2S -0.00541 0.01200 0.00031 -0.02098 -0.02861 135 16 H 1S -0.00199 0.00839 0.02437 -0.00437 -0.00381 136 2S -0.00264 0.00790 0.03234 -0.01229 -0.00476 137 17 H 1S 0.00590 -0.01362 0.02038 0.00124 0.02040 138 2S 0.00655 -0.01226 0.04793 0.01064 0.04127 139 18 H 1S -0.00232 0.00538 -0.01953 -0.00855 -0.01188 140 2S -0.00405 0.00722 -0.03565 -0.01617 -0.03080 141 19 O 1S 0.00002 -0.00146 0.00291 0.00133 0.00101 142 2S -0.00038 0.00284 -0.00860 -0.00304 -0.00527 143 2PX -0.00122 0.00718 -0.00221 -0.00519 -0.00201 144 2PY -0.00050 0.00170 -0.00768 -0.00657 -0.00397 145 2PZ -0.00102 0.00620 0.00801 0.00389 0.00418 146 3S 0.00101 0.00705 -0.01489 -0.00945 0.00560 147 3PX -0.00035 0.00720 0.00158 -0.00442 0.00312 148 3PY -0.00002 0.00141 -0.00583 -0.00675 -0.00124 149 3PZ -0.00184 0.00706 0.00302 0.00182 -0.00072 150 4XX 0.00036 -0.00081 0.00128 0.00060 0.00032 151 4YY -0.00018 -0.00013 -0.00076 0.00003 -0.00104 152 4ZZ -0.00033 0.00024 -0.00126 -0.00029 -0.00124 153 4XY 0.00006 0.00026 0.00034 0.00010 0.00031 154 4XZ 0.00003 -0.00020 0.00061 0.00015 0.00021 155 4YZ -0.00003 0.00005 -0.00071 -0.00019 -0.00044 156 20 O 1S -0.00086 0.00337 -0.01007 -0.00120 -0.00238 157 2S 0.00268 -0.00669 0.02196 0.00203 0.00742 158 2PX 0.00889 -0.01757 0.06628 0.01290 0.02472 159 2PY 0.00037 0.00094 -0.00086 -0.00425 -0.00146 160 2PZ 0.00866 -0.01317 0.06208 0.01558 0.02921 161 3S 0.00062 -0.01747 0.05592 0.00874 0.00523 162 3PX 0.00485 -0.01409 0.05226 0.01129 0.01698 163 3PY -0.00011 0.00345 -0.00651 -0.00475 -0.00072 164 3PZ 0.00749 -0.00983 0.05297 0.01507 0.02888 165 4XX -0.00003 0.00044 -0.00442 -0.00134 -0.00168 166 4YY 0.00025 0.00059 0.00046 0.00067 0.00094 167 4ZZ 0.00030 0.00092 0.00040 -0.00037 0.00115 168 4XY -0.00038 0.00095 -0.00295 -0.00044 -0.00067 169 4XZ -0.00027 0.00084 -0.00236 -0.00032 -0.00077 170 4YZ -0.00036 0.00061 -0.00133 0.00013 -0.00079 171 21 C 1S 0.00027 0.00024 0.00298 0.00030 0.00114 172 2S -0.00037 -0.00033 -0.00788 -0.00138 -0.00187 173 2PX -0.00136 0.00248 -0.01145 -0.00154 -0.00334 174 2PY -0.00231 0.00451 -0.02134 -0.00326 -0.00770 175 2PZ -0.00019 0.00112 0.00274 0.00073 0.00114 176 3S -0.00011 -0.00143 -0.01460 -0.00083 -0.00542 177 3PX -0.00091 0.00222 -0.00299 -0.00133 -0.00394 178 3PY -0.00177 0.00297 -0.02403 -0.00635 -0.01165 179 3PZ 0.00031 -0.00114 0.01038 0.00087 0.00565 180 4XX 0.00038 -0.00037 0.00278 0.00051 0.00110 181 4YY -0.00008 0.00011 -0.00156 -0.00022 -0.00039 182 4ZZ -0.00012 0.00031 -0.00053 -0.00017 -0.00010 183 4XY 0.00018 -0.00052 0.00176 0.00062 0.00084 184 4XZ 0.00032 -0.00043 0.00163 0.00015 0.00077 185 4YZ 0.00046 -0.00087 0.00279 0.00053 0.00119 186 22 H 1S -0.00090 0.00132 -0.00531 -0.00104 -0.00239 187 2S -0.00194 0.00386 -0.01246 -0.00334 -0.00851 188 23 H 1S 0.00153 -0.00249 0.01279 0.00197 0.00486 189 2S 0.00193 -0.00161 0.02778 0.00339 0.00985 36 37 38 39 40 36 3S 0.29356 37 3PX -0.03135 0.13458 38 3PY -0.00442 0.02086 0.05436 39 3PZ -0.02128 0.05104 0.00139 0.08688 40 4XX -0.01007 -0.00215 -0.00209 -0.00293 0.00127 41 4YY 0.00408 -0.00070 0.00642 -0.00124 -0.00040 42 4ZZ -0.00795 0.00300 -0.00273 0.00383 0.00022 43 4XY -0.00191 -0.00336 -0.00167 -0.00001 0.00012 44 4XZ -0.00466 0.00247 0.00207 0.00273 -0.00009 45 4YZ -0.00247 0.00016 0.00083 -0.00367 0.00033 46 4 C 1S -0.01204 -0.00123 0.01123 -0.01450 0.00275 47 2S 0.03990 0.00105 -0.02913 0.03845 -0.00570 48 2PX 0.00229 0.13404 0.01795 0.08768 -0.00647 49 2PY 0.05280 0.00032 -0.00611 0.07192 -0.00277 50 2PZ -0.16228 0.05750 0.06278 -0.04940 0.00710 51 3S -0.02058 -0.00533 -0.01666 0.00407 -0.00163 52 3PX -0.01950 0.08767 0.01809 0.04372 -0.00327 53 3PY 0.00712 0.01721 0.00191 0.04173 -0.00219 54 3PZ -0.03123 0.03952 0.01564 0.00713 0.00056 55 4XX -0.00338 0.00206 0.00127 -0.00047 0.00031 56 4YY -0.00244 0.00142 0.00390 -0.00119 -0.00012 57 4ZZ 0.00650 -0.00442 -0.00289 -0.00262 0.00007 58 4XY 0.00289 0.00489 -0.00013 0.00337 -0.00022 59 4XZ 0.00011 -0.00561 -0.00002 -0.00236 0.00014 60 4YZ -0.01073 0.00132 -0.00060 -0.00332 0.00052 61 5 H 1S 0.03976 0.00069 -0.00619 0.02891 -0.00008 62 2S 0.04600 0.00682 -0.01435 0.04555 -0.00094 63 6 H 1S -0.05137 -0.00537 0.00707 -0.01815 0.00274 64 2S -0.05570 -0.00627 0.00968 -0.03605 0.00426 65 7 C 1S -0.00191 -0.00291 0.00120 -0.00259 0.00024 66 2S -0.00263 0.00729 0.00026 0.00498 -0.00030 67 2PX 0.00496 0.01485 -0.01266 -0.00067 0.00127 68 2PY -0.00300 0.01430 -0.00282 0.01855 -0.00119 69 2PZ -0.00920 0.02575 -0.00904 -0.00178 0.00139 70 3S -0.00973 0.00298 0.00289 -0.00038 0.00013 71 3PX 0.00118 0.01713 -0.00775 0.00679 0.00033 72 3PY -0.00633 -0.01235 0.00361 -0.00139 0.00014 73 3PZ -0.00802 0.01411 -0.00453 -0.00698 0.00142 74 4XX 0.00043 0.00098 -0.00086 -0.00015 -0.00003 75 4YY 0.00088 -0.00024 -0.00030 -0.00009 0.00002 76 4ZZ -0.00051 -0.00054 0.00100 -0.00011 0.00000 77 4XY -0.00001 -0.00373 -0.00080 -0.00275 0.00022 78 4XZ 0.00077 0.00234 -0.00078 0.00178 -0.00009 79 4YZ 0.00202 -0.00404 -0.00121 -0.00259 0.00017 80 8 C 1S 0.00643 -0.00004 0.00140 0.00539 -0.00117 81 2S -0.00116 -0.00216 -0.00541 -0.00890 0.00203 82 2PX -0.00328 -0.06339 -0.00958 -0.04566 0.00413 83 2PY -0.00312 -0.01664 0.00036 -0.02344 0.00260 84 2PZ 0.03657 -0.06051 -0.02169 -0.04285 0.00356 85 3S 0.01385 -0.01593 -0.01742 -0.01386 0.00247 86 3PX -0.00398 -0.04195 -0.00784 -0.03717 0.00353 87 3PY -0.00071 -0.02789 -0.00033 -0.02218 0.00196 88 3PZ 0.01977 -0.03871 -0.01251 -0.02313 0.00187 89 4XX 0.00639 -0.00377 -0.00275 -0.00391 -0.00016 90 4YY -0.00161 0.00109 0.00074 0.00119 -0.00007 91 4ZZ -0.00389 0.00145 0.00224 0.00186 0.00014 92 4XY -0.00038 -0.00156 0.00189 -0.00098 -0.00005 93 4XZ 0.00235 -0.00458 -0.00115 -0.00211 -0.00007 94 4YZ 0.00168 -0.00232 0.00026 0.00021 -0.00008 95 9 H 1S 0.11157 -0.00249 0.08502 -0.01080 -0.00811 96 2S 0.03260 0.00815 0.07297 0.00334 -0.00547 97 10 H 1S 0.00683 -0.00886 0.00887 -0.00707 0.00003 98 2S 0.01579 -0.02051 0.00300 -0.01989 0.00000 99 11 C 1S 0.00108 -0.00169 0.00483 0.00524 -0.00217 100 2S 0.01380 0.01259 -0.01501 -0.01806 0.00325 101 2PX -0.06880 -0.04389 0.00851 0.05917 0.00835 102 2PY 0.03173 0.03957 -0.01130 -0.02974 0.00373 103 2PZ 0.09340 0.03898 -0.01733 -0.04188 0.00582 104 3S -0.00960 -0.01346 -0.02718 -0.03146 0.00542 105 3PX -0.01392 -0.02375 0.00356 0.02816 0.00302 106 3PY 0.00117 0.02541 -0.00174 -0.00868 0.00205 107 3PZ 0.02437 0.02247 -0.00470 -0.01695 0.00314 108 4XX 0.00363 -0.00668 -0.00209 -0.00403 0.00072 109 4YY -0.00155 0.00045 0.00350 0.00122 -0.00030 110 4ZZ -0.00028 0.00567 -0.00006 0.00431 -0.00057 111 4XY -0.00384 -0.00178 -0.00226 0.00328 0.00043 112 4XZ -0.00794 -0.00103 0.00120 0.00202 0.00031 113 4YZ 0.00518 0.00284 0.00179 -0.00106 0.00007 114 12 H 1S -0.03973 0.00861 -0.00045 0.01726 -0.00315 115 2S -0.04434 0.02828 0.00503 0.03715 -0.00459 116 13 H 1S -0.01004 -0.02695 -0.01211 0.00690 0.00852 117 2S -0.00441 -0.04469 -0.01398 -0.00203 0.00744 118 14 C 1S 0.00063 0.00005 -0.00297 -0.00497 0.00045 119 2S -0.00690 -0.00391 0.00873 0.00965 -0.00095 120 2PX -0.01494 0.01466 0.02170 -0.02705 0.00047 121 2PY -0.02630 -0.01499 0.01261 0.01784 -0.00243 122 2PZ -0.01129 -0.00689 -0.01256 0.01018 -0.00109 123 3S -0.00945 0.02904 0.02681 0.03636 -0.00264 124 3PX -0.01044 0.00962 0.01197 -0.01674 -0.00002 125 3PY -0.01954 -0.00004 0.01613 0.01327 -0.00159 126 3PZ -0.00764 -0.00018 -0.00304 0.01048 -0.00061 127 4XX -0.00068 0.00403 0.00000 0.00058 -0.00003 128 4YY 0.00049 -0.00173 -0.00037 -0.00042 0.00006 129 4ZZ 0.00034 -0.00215 0.00033 -0.00125 0.00010 130 4XY -0.00074 -0.00167 -0.00002 0.00246 0.00019 131 4XZ 0.00067 0.00003 0.00076 -0.00127 0.00006 132 4YZ 0.00239 0.00205 -0.00053 -0.00114 0.00022 133 15 H 1S 0.01434 -0.00148 0.00439 -0.00934 0.00148 134 2S 0.01287 -0.01139 0.00184 -0.01853 0.00239 135 16 H 1S -0.00715 0.02215 0.00997 -0.01260 -0.00032 136 2S -0.00385 0.02883 0.00252 -0.01210 -0.00043 137 17 H 1S -0.02749 0.02254 0.01069 0.00693 0.00073 138 2S -0.03277 0.04294 0.01626 0.02357 -0.00068 139 18 H 1S 0.00796 -0.02138 0.00249 -0.01045 0.00033 140 2S 0.00730 -0.03645 0.00298 -0.02163 0.00129 141 19 O 1S 0.00457 0.00208 -0.00260 0.00092 -0.00012 142 2S -0.01157 -0.00614 0.00614 -0.00469 0.00034 143 2PX -0.01282 -0.00674 0.01518 -0.00523 0.00028 144 2PY -0.00841 -0.00804 -0.00077 -0.00886 0.00028 145 2PZ -0.00223 -0.00040 0.01152 0.00887 -0.00064 146 3S -0.00785 -0.01129 0.00440 0.00202 -0.00003 147 3PX -0.00781 -0.00336 0.01145 0.00045 -0.00008 148 3PY -0.00526 -0.00638 -0.00116 -0.00584 0.00023 149 3PZ -0.00102 -0.00407 0.00956 0.00421 -0.00059 150 4XX -0.00078 0.00132 0.00004 0.00027 0.00006 151 4YY -0.00018 -0.00066 0.00002 -0.00119 0.00002 152 4ZZ 0.00069 -0.00124 -0.00035 -0.00071 -0.00001 153 4XY -0.00056 0.00016 0.00050 0.00023 -0.00001 154 4XZ -0.00010 0.00064 -0.00005 0.00038 0.00001 155 4YZ 0.00019 -0.00054 0.00017 -0.00034 0.00004 156 20 O 1S 0.00144 -0.00263 0.00207 -0.00641 0.00006 157 2S 0.00390 0.00682 -0.00694 0.01295 -0.00007 158 2PX -0.04869 0.04551 0.02806 0.03115 0.00328 159 2PY -0.02108 -0.01180 -0.00721 0.01288 0.00016 160 2PZ -0.09213 0.03823 0.05303 0.04298 0.00251 161 3S -0.02044 0.02385 -0.00111 0.02509 -0.00018 162 3PX -0.04106 0.03456 0.02404 0.02365 0.00192 163 3PY -0.00959 -0.01158 -0.00614 0.00743 -0.00012 164 3PZ -0.06530 0.03392 0.03855 0.03639 0.00158 165 4XX 0.00033 -0.00300 -0.00034 -0.00159 0.00023 166 4YY 0.00178 0.00115 0.00060 -0.00051 -0.00007 167 4ZZ 0.00201 0.00059 -0.00102 0.00014 -0.00017 168 4XY 0.00204 -0.00209 -0.00096 -0.00127 -0.00014 169 4XZ 0.00053 -0.00173 -0.00002 -0.00067 -0.00003 170 4YZ 0.00375 -0.00076 -0.00165 -0.00120 -0.00017 171 21 C 1S -0.00368 0.00194 0.00126 0.00180 0.00012 172 2S 0.00582 -0.00377 -0.00123 -0.00621 -0.00003 173 2PX 0.01153 -0.00373 -0.00220 -0.01195 -0.00057 174 2PY 0.01393 -0.01393 0.00029 -0.01123 -0.00046 175 2PZ 0.00544 0.00371 -0.00570 0.00116 -0.00027 176 3S 0.00443 -0.00691 -0.00086 -0.00892 0.00036 177 3PX 0.00017 -0.00163 0.00250 -0.00283 -0.00001 178 3PY 0.00333 -0.01832 -0.00133 -0.01094 0.00026 179 3PZ -0.00744 0.00652 0.00362 0.00588 0.00012 180 4XX -0.00272 0.00165 0.00214 0.00123 0.00011 181 4YY 0.00080 -0.00111 -0.00083 -0.00030 -0.00009 182 4ZZ 0.00178 -0.00018 -0.00126 -0.00035 -0.00006 183 4XY 0.00033 0.00147 0.00048 0.00065 -0.00003 184 4XZ -0.00332 0.00067 0.00188 0.00154 0.00013 185 4YZ -0.00359 0.00202 0.00136 0.00160 0.00013 186 22 H 1S 0.01209 -0.00158 -0.00876 -0.00402 -0.00031 187 2S 0.02084 -0.00650 -0.01474 -0.00777 -0.00056 188 23 H 1S -0.01619 0.00529 0.01053 0.00920 0.00061 189 2S -0.02884 0.01286 0.01947 0.01837 0.00067 41 42 43 44 45 41 4YY 0.00185 42 4ZZ -0.00083 0.00134 43 4XY -0.00016 0.00014 0.00038 44 4XZ 0.00034 0.00007 -0.00002 0.00090 45 4YZ -0.00008 -0.00006 -0.00024 -0.00012 0.00071 46 4 C 1S 0.00161 -0.00434 -0.00115 0.00133 0.00435 47 2S -0.00337 0.00759 0.00233 -0.00236 -0.00871 48 2PX -0.00018 0.00511 -0.00459 0.01200 -0.00393 49 2PY -0.01232 0.00900 -0.00024 -0.00174 0.00304 50 2PZ 0.00173 0.00395 -0.00387 0.00221 0.00980 51 3S -0.00546 0.00806 0.00182 -0.00125 -0.00542 52 3PX -0.00019 0.00416 -0.00308 0.00835 -0.00080 53 3PY -0.00297 0.00397 0.00027 0.00080 -0.00012 54 3PZ 0.00071 0.00238 -0.00168 0.00240 0.00183 55 4XX -0.00004 -0.00013 -0.00014 0.00008 0.00041 56 4YY 0.00096 -0.00047 -0.00005 0.00026 -0.00008 57 4ZZ -0.00069 0.00016 0.00003 -0.00040 0.00031 58 4XY 0.00013 -0.00017 0.00001 -0.00009 -0.00014 59 4XZ 0.00045 -0.00046 0.00021 0.00017 -0.00007 60 4YZ -0.00038 0.00038 0.00005 -0.00030 0.00039 61 5 H 1S -0.00253 0.00052 -0.00010 0.00007 0.00104 62 2S -0.00366 0.00154 -0.00001 0.00003 0.00036 63 6 H 1S -0.00556 0.00659 -0.00010 -0.00402 0.00406 64 2S -0.00527 0.00408 -0.00095 -0.00382 0.00629 65 7 C 1S -0.00007 0.00001 -0.00027 -0.00049 -0.00025 66 2S 0.00036 0.00038 0.00025 0.00107 0.00040 67 2PX -0.00064 0.00194 0.00123 0.00619 0.00130 68 2PY 0.00103 -0.00083 0.00074 -0.00141 0.00016 69 2PZ -0.00063 0.00185 0.00073 0.00555 0.00105 70 3S 0.00170 0.00004 0.00048 0.00208 0.00116 71 3PX -0.00053 0.00198 0.00048 0.00506 0.00053 72 3PY 0.00098 -0.00133 0.00017 -0.00188 0.00013 73 3PZ -0.00051 0.00116 0.00049 0.00352 0.00100 74 4XX -0.00004 0.00004 -0.00002 0.00011 0.00003 75 4YY -0.00001 -0.00003 0.00003 0.00004 0.00003 76 4ZZ 0.00001 -0.00004 -0.00007 -0.00023 -0.00008 77 4XY -0.00012 0.00003 0.00009 0.00026 0.00010 78 4XZ 0.00006 -0.00003 0.00008 -0.00006 -0.00001 79 4YZ -0.00007 -0.00005 0.00009 0.00011 0.00008 80 8 C 1S 0.00008 -0.00041 -0.00011 -0.00101 -0.00033 81 2S -0.00132 0.00005 0.00072 0.00281 0.00076 82 2PX -0.00200 0.00061 0.00214 0.00601 0.00200 83 2PY -0.00199 0.00069 -0.00057 0.00293 -0.00008 84 2PZ -0.00090 -0.00119 0.00182 0.00182 0.00168 85 3S -0.00286 0.00019 0.00121 0.00361 0.00034 86 3PX -0.00205 0.00070 0.00115 0.00414 0.00204 87 3PY 0.00003 -0.00085 0.00007 0.00154 0.00065 88 3PZ -0.00072 -0.00039 0.00128 0.00210 0.00043 89 4XX 0.00001 -0.00010 -0.00002 -0.00029 0.00009 90 4YY 0.00015 0.00002 -0.00001 0.00009 0.00000 91 4ZZ -0.00003 0.00004 -0.00003 -0.00001 -0.00010 92 4XY 0.00011 -0.00014 -0.00001 -0.00024 -0.00002 93 4XZ 0.00007 -0.00016 0.00011 -0.00027 0.00001 94 4YZ 0.00014 -0.00021 -0.00003 -0.00044 -0.00005 95 9 H 1S 0.01662 -0.01016 -0.00237 0.00185 -0.00063 96 2S 0.01575 -0.00812 -0.00162 0.00344 -0.00082 97 10 H 1S 0.00087 -0.00035 -0.00061 0.00011 -0.00036 98 2S 0.00156 -0.00131 -0.00078 -0.00002 -0.00046 99 11 C 1S 0.00156 -0.00143 0.00238 0.00437 -0.00280 100 2S -0.00345 0.00169 -0.00462 -0.00809 0.00538 101 2PX 0.00282 -0.00375 0.00337 0.00315 -0.00632 102 2PY -0.00944 0.00316 0.00344 -0.00565 -0.00256 103 2PZ -0.00290 -0.00993 -0.00553 -0.00345 0.00441 104 3S -0.00724 0.00263 -0.00421 -0.01029 0.00641 105 3PX 0.00228 -0.00258 0.00160 0.00109 -0.00361 106 3PY -0.00365 0.00115 0.00156 -0.00311 -0.00078 107 3PZ -0.00214 -0.00367 -0.00259 -0.00117 0.00221 108 4XX -0.00025 -0.00050 0.00023 -0.00024 -0.00007 109 4YY 0.00084 -0.00035 -0.00017 0.00032 0.00012 110 4ZZ -0.00041 0.00080 0.00011 0.00005 -0.00032 111 4XY -0.00024 0.00003 0.00014 0.00001 -0.00019 112 4XZ 0.00014 0.00018 0.00017 0.00018 -0.00010 113 4YZ 0.00018 -0.00051 -0.00025 0.00001 0.00011 114 12 H 1S -0.00269 0.00875 0.00196 -0.00197 -0.00112 115 2S -0.00206 0.00871 0.00229 0.00141 -0.00287 116 13 H 1S -0.00239 -0.00292 0.00078 -0.00298 -0.00156 117 2S -0.00166 -0.00322 0.00206 -0.00037 -0.00201 118 14 C 1S -0.00142 0.00046 0.00079 -0.00011 -0.00080 119 2S 0.00319 -0.00115 -0.00142 0.00021 0.00154 120 2PX -0.00069 0.00134 0.00048 0.00108 -0.00075 121 2PY 0.00808 -0.00239 -0.00547 0.00207 0.00493 122 2PZ 0.00084 -0.00022 -0.00059 -0.00078 0.00059 123 3S 0.00575 -0.00201 -0.00198 0.00035 0.00156 124 3PX 0.00022 0.00032 0.00015 0.00028 -0.00036 125 3PY 0.00556 -0.00155 -0.00250 0.00257 0.00196 126 3PZ 0.00032 0.00032 -0.00042 -0.00025 0.00007 127 4XX -0.00010 0.00014 0.00020 0.00013 -0.00011 128 4YY 0.00009 -0.00005 -0.00026 -0.00024 0.00023 129 4ZZ -0.00023 0.00001 0.00012 -0.00004 -0.00014 130 4XY 0.00016 -0.00019 0.00005 0.00006 -0.00017 131 4XZ -0.00006 0.00004 0.00001 0.00006 -0.00001 132 4YZ -0.00012 -0.00025 -0.00011 -0.00007 0.00011 133 15 H 1S -0.00152 -0.00049 0.00075 -0.00039 -0.00062 134 2S -0.00248 -0.00056 0.00054 -0.00038 -0.00067 135 16 H 1S -0.00102 0.00149 0.00087 0.00039 -0.00054 136 2S -0.00202 0.00252 0.00114 0.00120 -0.00035 137 17 H 1S -0.00119 0.00145 -0.00043 0.00289 -0.00033 138 2S -0.00045 0.00205 -0.00066 0.00206 -0.00100 139 18 H 1S -0.00020 -0.00034 -0.00021 -0.00086 -0.00012 140 2S -0.00042 -0.00109 -0.00013 -0.00196 -0.00006 141 19 O 1S -0.00012 -0.00010 0.00009 0.00001 0.00003 142 2S 0.00021 0.00019 -0.00022 0.00001 0.00002 143 2PX 0.00017 -0.00013 -0.00113 -0.00181 -0.00051 144 2PY -0.00052 0.00023 -0.00053 0.00036 -0.00004 145 2PZ 0.00104 -0.00054 -0.00061 -0.00291 -0.00067 146 3S 0.00004 0.00037 -0.00019 0.00034 -0.00034 147 3PX 0.00017 -0.00021 -0.00088 -0.00170 -0.00056 148 3PY -0.00054 0.00038 -0.00043 0.00067 -0.00006 149 3PZ 0.00085 -0.00068 -0.00053 -0.00291 -0.00055 150 4XX -0.00001 0.00007 0.00002 0.00018 0.00003 151 4YY -0.00001 0.00001 -0.00003 0.00004 0.00002 152 4ZZ 0.00000 -0.00008 0.00001 -0.00017 -0.00001 153 4XY 0.00003 -0.00002 -0.00002 -0.00010 -0.00002 154 4XZ 0.00000 -0.00001 0.00003 0.00000 0.00000 155 4YZ 0.00001 0.00000 0.00000 -0.00002 -0.00001 156 20 O 1S 0.00031 0.00003 0.00009 -0.00002 0.00011 157 2S -0.00072 -0.00014 -0.00028 0.00003 -0.00026 158 2PX -0.00077 0.00034 -0.00102 0.00068 -0.00025 159 2PY 0.00000 -0.00011 -0.00006 -0.00041 -0.00032 160 2PZ 0.00015 0.00078 -0.00019 0.00164 -0.00033 161 3S -0.00078 0.00104 -0.00071 0.00046 0.00033 162 3PX -0.00033 0.00043 -0.00084 0.00008 -0.00012 163 3PY 0.00010 -0.00035 0.00010 -0.00087 -0.00035 164 3PZ 0.00028 0.00031 -0.00031 0.00070 -0.00054 165 4XX -0.00008 -0.00007 0.00009 0.00016 0.00002 166 4YY 0.00004 -0.00002 -0.00001 0.00008 -0.00002 167 4ZZ 0.00001 -0.00003 -0.00003 -0.00015 -0.00008 168 4XY 0.00002 -0.00001 0.00002 0.00003 -0.00001 169 4XZ 0.00005 -0.00005 0.00005 -0.00011 -0.00001 170 4YZ 0.00004 -0.00006 -0.00001 -0.00017 0.00001 171 21 C 1S 0.00016 0.00000 -0.00009 -0.00028 -0.00002 172 2S -0.00029 0.00021 0.00009 0.00103 0.00011 173 2PX 0.00007 0.00019 0.00001 0.00039 0.00014 174 2PY 0.00011 -0.00036 0.00032 -0.00031 0.00006 175 2PZ 0.00020 0.00013 -0.00026 -0.00035 -0.00013 176 3S -0.00018 0.00015 0.00023 0.00132 0.00028 177 3PX 0.00014 -0.00032 0.00005 -0.00112 0.00004 178 3PY -0.00009 -0.00034 0.00020 -0.00033 0.00009 179 3PZ 0.00009 0.00010 -0.00030 -0.00019 -0.00027 180 4XX 0.00000 -0.00001 -0.00007 -0.00008 -0.00004 181 4YY 0.00002 0.00000 0.00007 0.00004 0.00001 182 4ZZ 0.00000 -0.00003 -0.00001 -0.00008 -0.00002 183 4XY -0.00001 0.00002 0.00002 0.00005 0.00001 184 4XZ -0.00001 0.00001 0.00000 0.00002 -0.00003 185 4YZ -0.00004 0.00006 0.00000 0.00017 0.00001 186 22 H 1S -0.00002 0.00003 -0.00004 0.00001 0.00002 187 2S -0.00005 -0.00026 0.00022 -0.00094 0.00021 188 23 H 1S -0.00012 -0.00010 -0.00014 -0.00018 -0.00016 189 2S 0.00015 -0.00040 -0.00043 -0.00174 -0.00049 46 47 48 49 50 46 4 C 1S 2.05282 47 2S -0.06255 0.32755 48 2PX -0.00140 0.00251 0.35515 49 2PY -0.00097 -0.00036 0.00138 0.41443 50 2PZ -0.00131 -0.00543 -0.03125 -0.00023 0.40212 51 3S -0.15830 0.24228 0.00292 -0.01318 0.04226 52 3PX 0.00113 -0.00315 0.21933 0.01073 0.03527 53 3PY -0.00251 0.01344 0.02697 0.13649 0.00084 54 3PZ -0.00982 0.03047 0.04209 0.01217 0.12272 55 4XX -0.01240 -0.01304 0.00071 0.00285 0.00347 56 4YY -0.01693 -0.00310 0.00128 -0.01322 0.00402 57 4ZZ -0.01781 -0.00166 -0.00664 0.01342 -0.00165 58 4XY 0.00134 -0.00254 0.00125 -0.00159 -0.00728 59 4XZ 0.00350 -0.00743 -0.00287 -0.00739 -0.00687 60 4YZ -0.00175 0.00281 -0.00873 0.00072 0.01435 61 5 H 1S 0.01228 -0.02561 0.00302 0.04307 -0.02280 62 2S 0.01413 -0.02480 0.01687 0.08410 -0.04847 63 6 H 1S -0.06047 0.11437 -0.10770 0.13129 0.20430 64 2S -0.01307 0.02614 -0.10364 0.11571 0.18745 65 7 C 1S -0.00081 0.00203 -0.00961 -0.00215 -0.00592 66 2S 0.00108 -0.00181 0.02495 0.00412 0.01178 67 2PX 0.00283 -0.00628 0.07963 0.01586 0.04182 68 2PY 0.00030 -0.00018 -0.00870 -0.00476 -0.00048 69 2PZ 0.00256 -0.00486 0.07393 0.01329 0.03685 70 3S 0.00322 -0.01717 0.02581 0.00650 0.04042 71 3PX 0.00175 -0.00019 0.07630 0.02020 0.03053 72 3PY 0.00071 -0.00700 -0.03393 -0.00774 -0.00101 73 3PZ 0.00133 -0.00757 0.04357 0.00502 0.03447 74 4XX -0.00011 0.00030 0.00113 0.00025 0.00034 75 4YY -0.00013 0.00012 0.00060 -0.00051 0.00067 76 4ZZ -0.00033 0.00043 -0.00323 -0.00056 -0.00212 77 4XY 0.00019 -0.00064 0.00062 0.00022 0.00096 78 4XZ -0.00001 0.00032 -0.00079 0.00004 -0.00078 79 4YZ 0.00005 -0.00062 -0.00010 0.00000 0.00077 80 8 C 1S -0.00147 0.00123 -0.00411 -0.00076 -0.00342 81 2S 0.00106 -0.00455 0.01445 0.00061 0.01439 82 2PX 0.00434 -0.01454 0.01847 0.00451 0.02131 83 2PY 0.00049 -0.00143 0.00663 0.00325 0.00218 84 2PZ 0.00469 -0.01529 0.00157 0.00046 0.01566 85 3S 0.00628 0.00376 0.02071 0.00931 -0.00712 86 3PX 0.00386 -0.01646 0.02051 0.00477 0.03439 87 3PY 0.00121 -0.01052 -0.00788 -0.00273 0.01736 88 3PZ 0.00700 -0.00538 0.00983 0.00210 -0.00169 89 4XX -0.00017 0.00025 -0.00359 -0.00040 -0.00053 90 4YY -0.00029 -0.00008 0.00185 -0.00028 0.00138 91 4ZZ -0.00095 0.00042 -0.00117 -0.00018 -0.00156 92 4XY -0.00007 -0.00026 -0.00515 -0.00109 -0.00182 93 4XZ -0.00034 0.00041 -0.00639 -0.00051 -0.00303 94 4YZ 0.00007 -0.00025 -0.00503 -0.00085 -0.00227 95 9 H 1S 0.01202 -0.02505 0.00096 -0.03529 0.02659 96 2S 0.01331 -0.02557 0.00977 -0.07177 0.04539 97 10 H 1S -0.00834 0.01854 0.00155 -0.03521 -0.00164 98 2S -0.01169 0.02553 -0.00346 -0.06911 -0.01170 99 11 C 1S -0.00306 0.00583 0.00800 0.00177 -0.01006 100 2S 0.00645 -0.01548 -0.01868 -0.00611 0.02653 101 2PX -0.00664 0.01796 -0.01459 0.00155 -0.04034 102 2PY 0.00144 -0.00333 -0.00706 0.00385 0.00503 103 2PZ 0.01299 -0.03365 -0.02311 -0.01220 0.03950 104 3S 0.00807 -0.01543 -0.07166 0.00864 0.03255 105 3PX -0.00507 0.01254 -0.00725 -0.01112 -0.03982 106 3PY 0.00350 -0.00782 -0.01742 0.00437 0.01673 107 3PZ 0.00772 -0.01717 -0.00500 -0.00145 0.02931 108 4XX 0.00040 -0.00111 -0.00869 -0.00081 -0.00240 109 4YY 0.00066 -0.00161 -0.00031 -0.00172 0.00373 110 4ZZ -0.00193 0.00383 0.00968 0.00409 -0.00456 111 4XY -0.00036 0.00095 -0.00075 0.00158 -0.00273 112 4XZ 0.00028 -0.00057 -0.00042 -0.00099 0.00335 113 4YZ 0.00043 -0.00131 0.00132 -0.00070 0.00275 114 12 H 1S -0.00765 0.01861 0.02815 0.01507 -0.01740 115 2S -0.01117 0.02682 0.07206 0.02256 -0.02835 116 13 H 1S 0.00146 -0.00211 -0.03905 -0.00247 -0.01315 117 2S 0.00149 -0.00233 -0.03686 0.00133 -0.01424 118 14 C 1S -0.00268 0.00518 0.00449 -0.00369 -0.00385 119 2S 0.00477 -0.00902 -0.01318 0.00692 0.00530 120 2PX -0.00575 0.00901 0.01475 -0.01710 -0.00025 121 2PY 0.00391 -0.00924 0.01092 -0.01171 0.02808 122 2PZ 0.00545 -0.01011 -0.01766 0.01847 -0.00079 123 3S 0.01276 -0.02471 -0.01194 0.02743 0.02149 124 3PX -0.00401 0.00652 0.00232 -0.02113 0.00156 125 3PY 0.00322 -0.00782 0.02237 -0.00754 0.02812 126 3PZ 0.00300 -0.00543 0.00005 0.01411 0.00024 127 4XX -0.00003 0.00016 0.00104 0.00096 0.00004 128 4YY -0.00013 0.00028 -0.00171 -0.00189 0.00034 129 4ZZ -0.00007 -0.00015 0.00005 0.00125 -0.00056 130 4XY -0.00012 0.00054 -0.00063 -0.00033 -0.00079 131 4XZ -0.00034 0.00061 0.00073 -0.00126 0.00051 132 4YZ 0.00016 -0.00069 -0.00022 -0.00093 0.00099 133 15 H 1S -0.00055 0.00024 -0.00220 -0.00239 -0.00167 134 2S -0.00112 0.00004 0.00425 -0.00404 0.00328 135 16 H 1S -0.00129 0.00194 0.00672 0.00025 -0.00058 136 2S -0.00202 0.00358 0.02594 0.00482 0.00549 137 17 H 1S -0.00109 0.00302 0.02316 0.00384 0.00499 138 2S -0.00149 0.00769 0.03344 0.00295 -0.00292 139 18 H 1S -0.00026 -0.00090 -0.01477 -0.00167 -0.00642 140 2S -0.00046 -0.00318 -0.04093 -0.01070 -0.01042 141 19 O 1S 0.00017 -0.00032 0.00064 -0.00007 0.00055 142 2S 0.00030 -0.00040 -0.00314 -0.00067 -0.00035 143 2PX -0.00062 -0.00050 -0.02007 -0.00058 -0.01189 144 2PY 0.00034 -0.00148 0.00167 0.00222 -0.00108 145 2PZ -0.00117 0.00069 -0.02972 -0.00332 -0.01574 146 3S -0.00277 0.00563 0.00737 0.00387 -0.00662 147 3PX -0.00096 0.00146 -0.01782 -0.00060 -0.01388 148 3PY -0.00088 0.00020 0.00990 0.00307 0.00115 149 3PZ -0.00122 0.00051 -0.03369 -0.00486 -0.01600 150 4XX 0.00038 -0.00036 0.00242 0.00028 0.00143 151 4YY 0.00014 -0.00032 0.00037 -0.00024 0.00065 152 4ZZ 0.00034 -0.00016 -0.00314 -0.00064 -0.00098 153 4XY -0.00004 0.00003 -0.00089 -0.00007 -0.00058 154 4XZ 0.00003 -0.00005 -0.00067 -0.00015 -0.00021 155 4YZ -0.00007 -0.00007 -0.00048 -0.00010 -0.00010 156 20 O 1S -0.00016 0.00196 -0.00628 0.00032 -0.00258 157 2S 0.00099 -0.00335 0.01491 -0.00049 0.00319 158 2PX 0.00076 -0.01200 0.02457 -0.00146 0.00916 159 2PY -0.00049 0.00001 -0.00757 -0.00365 -0.00455 160 2PZ -0.00063 -0.01549 0.01403 -0.00533 -0.00171 161 3S -0.00251 -0.00867 0.03775 -0.00003 0.02601 162 3PX -0.00044 -0.00850 0.01225 -0.00192 0.00782 163 3PY 0.00028 0.00156 -0.01626 -0.00301 -0.01028 164 3PZ -0.00024 -0.00918 0.00683 -0.00427 -0.00549 165 4XX 0.00010 -0.00042 -0.00075 -0.00008 -0.00040 166 4YY -0.00004 0.00018 0.00183 0.00015 -0.00016 167 4ZZ -0.00011 0.00126 -0.00155 0.00018 -0.00168 168 4XY 0.00000 0.00055 -0.00050 0.00025 -0.00059 169 4XZ -0.00013 0.00040 -0.00269 -0.00003 -0.00094 170 4YZ -0.00002 0.00061 -0.00133 0.00015 -0.00007 171 21 C 1S -0.00021 0.00037 -0.00255 -0.00074 -0.00130 172 2S 0.00045 -0.00093 0.01070 0.00231 0.00345 173 2PX 0.00019 0.00090 0.00183 0.00183 -0.00043 174 2PY 0.00002 0.00104 -0.01262 -0.00063 -0.00513 175 2PZ 0.00044 0.00038 0.00406 -0.00065 -0.00103 176 3S 0.00163 -0.00175 0.00664 0.00142 0.00527 177 3PX 0.00074 -0.00010 -0.02493 -0.00075 -0.00664 178 3PY -0.00013 0.00005 -0.01588 -0.00148 -0.00357 179 3PZ 0.00020 -0.00051 0.00432 -0.00234 -0.00296 180 4XX -0.00009 -0.00044 -0.00044 -0.00025 -0.00041 181 4YY 0.00010 0.00015 -0.00024 0.00000 -0.00017 182 4ZZ -0.00004 0.00045 -0.00040 -0.00004 -0.00036 183 4XY -0.00002 -0.00011 0.00120 0.00009 0.00047 184 4XZ -0.00017 -0.00039 -0.00042 -0.00028 -0.00030 185 4YZ -0.00001 -0.00058 0.00207 -0.00005 0.00072 186 22 H 1S 0.00050 0.00107 0.00436 0.00073 0.00111 187 2S 0.00031 0.00288 -0.01399 0.00266 -0.00045 188 23 H 1S -0.00043 -0.00223 -0.00288 -0.00129 -0.00121 189 2S -0.00064 -0.00291 -0.02268 -0.00476 -0.01122 51 52 53 54 55 51 3S 0.23666 52 3PX 0.00653 0.14682 53 3PY -0.00804 0.02136 0.05806 54 3PZ 0.02201 0.04331 0.01311 0.05819 55 4XX -0.00857 0.00095 0.00047 0.00024 0.00073 56 4YY -0.00280 0.00122 -0.00303 0.00086 0.00012 57 4ZZ 0.00017 -0.00369 0.00273 -0.00117 0.00023 58 4XY -0.00508 -0.00039 0.00047 -0.00152 0.00013 59 4XZ -0.00603 -0.00244 -0.00263 -0.00329 0.00011 60 4YZ 0.00534 -0.00323 -0.00013 0.00261 0.00002 61 5 H 1S -0.06018 -0.00165 0.01990 0.00236 0.00081 62 2S -0.06560 0.00207 0.03592 0.00210 0.00146 63 6 H 1S 0.11163 -0.03752 0.03854 0.06087 -0.00203 64 2S 0.05136 -0.03642 0.02569 0.04162 0.00088 65 7 C 1S 0.00055 -0.00684 0.00000 -0.00510 -0.00014 66 2S 0.00014 0.01759 0.00211 0.00932 0.00020 67 2PX -0.01600 0.06941 0.02337 0.04610 0.00029 68 2PY -0.01388 -0.01268 -0.00347 -0.00076 0.00023 69 2PZ -0.01086 0.06699 0.02406 0.03744 0.00057 70 3S -0.01584 0.02581 0.00756 0.02020 0.00058 71 3PX -0.01134 0.06200 0.02274 0.03712 0.00019 72 3PY -0.00543 -0.02752 -0.00859 -0.01206 -0.00002 73 3PZ -0.00497 0.04224 0.01209 0.02568 0.00055 74 4XX -0.00046 0.00154 0.00065 0.00092 0.00000 75 4YY 0.00001 0.00039 -0.00041 0.00063 0.00001 76 4ZZ 0.00080 -0.00298 -0.00042 -0.00198 -0.00004 77 4XY 0.00111 0.00146 -0.00024 0.00013 -0.00005 78 4XZ -0.00195 -0.00054 0.00065 0.00062 0.00002 79 4YZ 0.00064 0.00051 -0.00063 0.00050 -0.00004 80 8 C 1S 0.00181 -0.00602 -0.00355 -0.00327 -0.00073 81 2S -0.00137 0.01485 0.00374 0.01038 0.00068 82 2PX 0.02214 0.02983 -0.00267 0.00666 -0.00075 83 2PY 0.01125 0.01357 0.00681 0.00129 0.00005 84 2PZ 0.00470 0.01379 -0.00870 0.01235 -0.00027 85 3S 0.00523 0.02070 0.00412 0.01026 0.00014 86 3PX 0.01597 0.02879 -0.00352 0.01177 0.00002 87 3PY -0.00057 0.00180 -0.00221 0.00331 0.00001 88 3PZ 0.00405 0.01374 -0.00166 0.00582 -0.00049 89 4XX -0.00201 -0.00155 -0.00031 0.00088 -0.00008 90 4YY -0.00025 0.00116 0.00011 0.00057 0.00000 91 4ZZ 0.00264 -0.00164 -0.00033 -0.00229 0.00003 92 4XY 0.00148 -0.00405 -0.00142 -0.00286 -0.00001 93 4XZ -0.00013 -0.00435 -0.00108 -0.00204 -0.00014 94 4YZ -0.00005 -0.00456 -0.00177 -0.00225 -0.00004 95 9 H 1S -0.05395 0.00252 -0.00018 0.01405 -0.00033 96 2S -0.05132 0.00957 -0.00649 0.02118 0.00003 97 10 H 1S 0.05321 -0.00062 -0.03275 0.00182 -0.00046 98 2S 0.05940 -0.00550 -0.04660 -0.00344 -0.00112 99 11 C 1S 0.00444 0.00641 0.00523 -0.00358 -0.00080 100 2S -0.01031 -0.01376 -0.00969 0.00673 0.00130 101 2PX -0.01306 -0.02221 0.01512 0.00045 -0.00055 102 2PY 0.01033 -0.00645 0.00587 -0.00697 0.00089 103 2PZ -0.02962 -0.01983 -0.03845 0.01133 0.00258 104 3S 0.01325 -0.04951 -0.02284 -0.00729 0.00150 105 3PX -0.00855 -0.01467 0.00354 -0.00515 -0.00067 106 3PY -0.00848 -0.01148 0.00722 -0.00016 0.00085 107 3PZ -0.00547 -0.00461 -0.01771 0.00544 0.00143 108 4XX -0.00076 -0.00586 -0.00178 -0.00163 -0.00001 109 4YY -0.00258 0.00026 -0.00013 0.00133 0.00005 110 4ZZ 0.00336 0.00567 0.00314 -0.00042 -0.00011 111 4XY -0.00144 -0.00151 0.00105 0.00007 -0.00001 112 4XZ -0.00060 0.00016 0.00100 0.00128 0.00005 113 4YZ -0.00064 0.00078 -0.00167 0.00106 0.00009 114 12 H 1S 0.02092 0.01981 0.02578 -0.00544 -0.00086 115 2S 0.02508 0.04660 0.03337 -0.00233 -0.00103 116 13 H 1S -0.01502 -0.03447 -0.00227 -0.00079 0.00050 117 2S -0.01376 -0.02832 -0.00082 -0.00004 0.00001 118 14 C 1S 0.01311 0.00380 -0.00348 -0.00236 -0.00035 119 2S -0.02268 -0.00986 0.00517 0.00299 0.00054 120 2PX 0.06531 0.02459 -0.01161 -0.01823 -0.00036 121 2PY -0.01717 0.01253 -0.00780 0.01600 -0.00008 122 2PZ -0.04683 -0.01384 0.02513 0.00413 0.00076 123 3S -0.06191 -0.01100 0.02380 0.01168 0.00171 124 3PX 0.03593 0.00871 -0.01073 -0.01062 -0.00035 125 3PY -0.01389 0.01969 0.00106 0.01567 0.00007 126 3PZ -0.02412 -0.00260 0.01506 0.00320 0.00046 127 4XX -0.00046 0.00163 0.00205 0.00065 0.00006 128 4YY 0.00085 -0.00143 -0.00180 0.00018 0.00000 129 4ZZ 0.00166 -0.00045 -0.00059 -0.00151 -0.00007 130 4XY -0.00174 -0.00133 0.00012 0.00093 -0.00001 131 4XZ 0.00292 0.00088 -0.00124 -0.00014 -0.00001 132 4YZ -0.00025 -0.00013 -0.00139 0.00026 0.00005 133 15 H 1S 0.01612 -0.00418 -0.01296 -0.00567 -0.00017 134 2S 0.02477 0.00014 -0.01710 -0.00732 -0.00038 135 16 H 1S 0.02356 0.01370 0.00498 -0.00836 0.00027 136 2S 0.02297 0.02957 0.00938 0.00074 0.00023 137 17 H 1S 0.00797 0.01782 0.01075 0.00167 0.00048 138 2S 0.00758 0.02039 0.01381 0.00012 0.00043 139 18 H 1S 0.00977 -0.01278 -0.00787 -0.00834 -0.00030 140 2S 0.01501 -0.03174 -0.01640 -0.01833 -0.00041 141 19 O 1S -0.00149 0.00036 -0.00011 0.00205 0.00009 142 2S 0.00641 -0.00155 -0.00105 -0.00568 -0.00030 143 2PX 0.00854 -0.02170 -0.00217 -0.01803 0.00010 144 2PY 0.00835 0.00126 0.00103 -0.00503 -0.00007 145 2PZ -0.01133 -0.03543 0.00041 -0.01216 -0.00015 146 3S 0.00587 0.00152 0.00014 -0.00464 -0.00071 147 3PX 0.00559 -0.02051 -0.00226 -0.01529 0.00000 148 3PY 0.00722 0.00686 0.00143 -0.00110 -0.00011 149 3PZ -0.00619 -0.03490 -0.00288 -0.01450 -0.00016 150 4XX -0.00044 0.00213 0.00082 0.00124 0.00003 151 4YY 0.00061 0.00047 -0.00010 0.00001 0.00001 152 4ZZ -0.00002 -0.00210 -0.00084 -0.00107 -0.00001 153 4XY 0.00006 -0.00107 -0.00008 -0.00071 0.00001 154 4XZ -0.00034 -0.00041 0.00016 -0.00001 0.00000 155 4YZ -0.00041 -0.00051 0.00017 0.00003 -0.00001 156 20 O 1S 0.00144 -0.00170 0.00117 -0.00120 0.00003 157 2S -0.00728 0.00502 -0.00105 0.00430 0.00029 158 2PX 0.02297 0.00607 -0.00431 -0.01173 0.00189 159 2PY -0.00491 -0.01113 -0.00433 -0.00845 -0.00082 160 2PZ 0.05107 -0.00745 -0.01535 -0.03941 0.00109 161 3S -0.00297 0.01932 -0.00177 0.00850 0.00056 162 3PX 0.01868 -0.00006 -0.00418 -0.01154 0.00131 163 3PY -0.00435 -0.01577 -0.00375 -0.00897 -0.00067 164 3PZ 0.03328 -0.00944 -0.01008 -0.02903 0.00086 165 4XX 0.00091 -0.00020 -0.00041 -0.00044 -0.00003 166 4YY 0.00034 0.00150 0.00035 0.00067 0.00004 167 4ZZ -0.00145 -0.00106 0.00060 0.00020 -0.00004 168 4XY -0.00080 0.00012 0.00034 0.00044 -0.00009 169 4XZ 0.00037 -0.00182 -0.00029 -0.00077 -0.00007 170 4YZ -0.00217 -0.00051 0.00048 0.00129 -0.00002 171 21 C 1S 0.00095 -0.00300 -0.00022 -0.00183 -0.00009 172 2S 0.00127 0.01040 0.00173 0.00465 0.00005 173 2PX 0.00188 0.00523 0.00230 0.00312 0.00001 174 2PY 0.00092 -0.00693 -0.00236 -0.00256 -0.00017 175 2PZ -0.00741 0.00285 -0.00161 0.00213 0.00037 176 3S 0.00125 0.00937 0.00196 0.00541 0.00004 177 3PX 0.00035 -0.01783 -0.00140 -0.00728 0.00007 178 3PY 0.00330 -0.00998 -0.00365 -0.00533 -0.00030 179 3PZ 0.00191 -0.00054 -0.00216 -0.00404 0.00023 180 4XX 0.00161 -0.00123 -0.00034 -0.00156 0.00007 181 4YY -0.00058 0.00008 0.00009 0.00036 -0.00007 182 4ZZ -0.00114 0.00004 0.00003 0.00055 0.00000 183 4XY 0.00034 0.00088 -0.00002 0.00038 0.00005 184 4XZ 0.00144 -0.00114 -0.00035 -0.00147 0.00000 185 4YZ 0.00193 0.00131 -0.00034 -0.00071 0.00005 186 22 H 1S -0.00792 0.00601 0.00032 0.00599 0.00017 187 2S -0.01359 -0.00451 0.00105 0.00647 0.00001 188 23 H 1S 0.00698 -0.00700 -0.00194 -0.00765 0.00009 189 2S 0.01047 -0.02741 -0.00600 -0.02105 0.00027 56 57 58 59 60 56 4YY 0.00115 57 4ZZ -0.00055 0.00110 58 4XY 0.00010 -0.00021 0.00077 59 4XZ 0.00029 -0.00017 0.00002 0.00070 60 4YZ -0.00007 0.00015 -0.00032 -0.00039 0.00134 61 5 H 1S 0.00187 0.00086 0.00413 0.00003 -0.00776 62 2S -0.00152 0.00199 0.00450 -0.00047 -0.00806 63 6 H 1S -0.00398 0.00568 -0.00595 -0.00815 0.01197 64 2S -0.00348 0.00601 -0.00552 -0.00608 0.01152 65 7 C 1S -0.00010 0.00004 0.00000 -0.00007 -0.00005 66 2S 0.00011 -0.00016 -0.00028 0.00010 -0.00032 67 2PX -0.00035 0.00074 -0.00042 0.00113 0.00001 68 2PY 0.00051 -0.00118 0.00071 -0.00026 0.00007 69 2PZ -0.00016 0.00058 0.00046 0.00087 0.00003 70 3S 0.00130 -0.00033 -0.00078 0.00070 0.00103 71 3PX -0.00030 0.00036 -0.00031 0.00039 -0.00091 72 3PY 0.00056 -0.00039 -0.00069 0.00027 0.00071 73 3PZ 0.00012 0.00040 -0.00021 0.00058 0.00087 74 4XX 0.00004 0.00008 0.00016 -0.00003 0.00005 75 4YY 0.00000 0.00000 -0.00008 0.00003 -0.00004 76 4ZZ -0.00003 -0.00006 0.00002 -0.00005 0.00001 77 4XY -0.00008 0.00023 -0.00031 0.00019 -0.00002 78 4XZ 0.00006 -0.00007 0.00031 -0.00005 0.00011 79 4YZ -0.00008 0.00020 -0.00030 0.00021 -0.00004 80 8 C 1S -0.00019 -0.00079 0.00064 -0.00042 0.00008 81 2S -0.00014 0.00054 -0.00110 0.00088 -0.00014 82 2PX -0.00203 0.00379 -0.00483 0.00371 -0.00084 83 2PY -0.00055 0.00138 -0.00092 0.00057 -0.00005 84 2PZ -0.00171 0.00331 -0.00453 0.00410 -0.00075 85 3S -0.00167 0.00223 -0.00139 0.00138 -0.00157 86 3PX -0.00135 0.00275 -0.00429 0.00246 0.00007 87 3PY 0.00028 0.00112 -0.00220 0.00125 0.00037 88 3PZ -0.00116 0.00202 -0.00254 0.00261 -0.00142 89 4XX 0.00002 0.00034 -0.00016 0.00009 0.00004 90 4YY 0.00008 -0.00010 0.00001 -0.00003 -0.00002 91 4ZZ -0.00005 -0.00020 0.00016 -0.00007 0.00003 92 4XY 0.00003 -0.00001 -0.00002 0.00001 -0.00002 93 4XZ -0.00004 0.00024 -0.00010 0.00012 0.00001 94 4YZ -0.00001 -0.00005 -0.00005 0.00003 -0.00003 95 9 H 1S 0.00812 -0.00390 0.00110 0.00251 -0.00540 96 2S 0.00887 -0.00647 0.00127 0.00294 -0.00315 97 10 H 1S -0.00128 -0.00063 -0.00001 0.00045 -0.00187 98 2S -0.00111 -0.00081 -0.00060 0.00118 -0.00241 99 11 C 1S 0.00084 -0.00123 -0.00009 0.00097 -0.00088 100 2S -0.00166 0.00202 0.00010 -0.00212 0.00188 101 2PX 0.00297 -0.00498 -0.00083 0.00441 -0.00293 102 2PY -0.00122 0.00142 0.00141 -0.00173 0.00217 103 2PZ -0.00318 0.00489 0.00066 -0.00494 0.00269 104 3S -0.00463 0.00426 -0.00151 -0.00276 0.00347 105 3PX 0.00173 -0.00267 0.00010 0.00257 -0.00249 106 3PY 0.00016 0.00012 0.00119 -0.00113 0.00223 107 3PZ -0.00177 0.00201 -0.00006 -0.00265 0.00177 108 4XX -0.00013 0.00034 -0.00024 0.00028 0.00002 109 4YY 0.00035 -0.00027 0.00006 0.00006 -0.00004 110 4ZZ -0.00012 -0.00016 0.00026 -0.00023 -0.00020 111 4XY -0.00008 -0.00007 -0.00006 0.00010 -0.00004 112 4XZ 0.00025 -0.00033 -0.00008 0.00020 0.00006 113 4YZ 0.00006 0.00005 0.00005 -0.00018 0.00002 114 12 H 1S 0.00025 -0.00164 0.00075 0.00061 -0.00052 115 2S 0.00042 -0.00286 0.00152 0.00015 -0.00176 116 13 H 1S 0.00001 -0.00025 -0.00095 0.00152 -0.00018 117 2S 0.00008 0.00050 -0.00209 0.00261 -0.00057 118 14 C 1S -0.00016 0.00006 -0.00019 0.00011 0.00014 119 2S 0.00029 -0.00012 0.00042 -0.00015 -0.00067 120 2PX 0.00029 -0.00036 0.00099 -0.00019 0.00117 121 2PY 0.00184 -0.00130 -0.00100 0.00036 0.00007 122 2PZ -0.00088 0.00025 0.00074 -0.00048 -0.00095 123 3S 0.00200 -0.00190 0.00316 -0.00127 -0.00103 124 3PX 0.00052 -0.00053 0.00054 -0.00016 0.00135 125 3PY 0.00223 -0.00173 -0.00070 0.00043 0.00022 126 3PZ -0.00037 -0.00022 0.00025 -0.00036 -0.00098 127 4XX 0.00001 -0.00005 0.00043 -0.00007 0.00011 128 4YY -0.00009 0.00003 -0.00006 0.00001 -0.00010 129 4ZZ 0.00003 0.00008 -0.00040 0.00004 0.00011 130 4XY 0.00007 -0.00016 -0.00004 0.00014 -0.00020 131 4XZ -0.00004 0.00002 0.00000 0.00002 -0.00009 132 4YZ -0.00002 0.00011 0.00006 -0.00013 0.00019 133 15 H 1S 0.00009 0.00061 -0.00118 0.00007 0.00062 134 2S -0.00011 0.00099 -0.00307 0.00015 0.00105 135 16 H 1S -0.00023 0.00005 0.00205 -0.00071 0.00073 136 2S -0.00044 0.00039 0.00214 -0.00074 0.00096 137 17 H 1S 0.00024 -0.00076 0.00114 -0.00097 0.00011 138 2S 0.00047 -0.00211 0.00285 -0.00166 -0.00013 139 18 H 1S -0.00033 0.00053 -0.00141 0.00031 -0.00024 140 2S -0.00052 0.00087 -0.00233 0.00077 0.00015 141 19 O 1S 0.00005 -0.00009 0.00039 0.00001 0.00016 142 2S -0.00012 0.00025 -0.00091 0.00006 -0.00020 143 2PX -0.00069 -0.00045 -0.00128 -0.00034 -0.00087 144 2PY -0.00036 0.00042 -0.00035 0.00013 -0.00017 145 2PZ -0.00069 -0.00152 -0.00076 -0.00058 -0.00064 146 3S -0.00058 0.00027 -0.00184 0.00001 -0.00139 147 3PX -0.00055 -0.00055 -0.00063 -0.00044 -0.00081 148 3PY -0.00039 0.00036 -0.00066 0.00009 -0.00040 149 3PZ -0.00043 -0.00104 -0.00052 -0.00047 -0.00035 150 4XX 0.00000 -0.00003 0.00005 0.00001 0.00004 151 4YY 0.00000 0.00003 -0.00008 0.00003 0.00002 152 4ZZ 0.00005 0.00005 0.00003 0.00001 0.00007 153 4XY -0.00002 -0.00004 -0.00002 -0.00001 -0.00004 154 4XZ 0.00001 -0.00003 0.00012 0.00000 0.00004 155 4YZ -0.00004 -0.00001 -0.00008 0.00002 -0.00002 156 20 O 1S 0.00028 0.00067 -0.00020 0.00018 -0.00005 157 2S -0.00039 -0.00127 0.00052 -0.00032 -0.00006 158 2PX -0.00082 -0.00346 0.00193 -0.00084 0.00022 159 2PY -0.00040 -0.00045 -0.00018 -0.00034 -0.00009 160 2PZ -0.00148 -0.00451 0.00238 -0.00090 -0.00001 161 3S -0.00028 -0.00241 0.00047 -0.00121 0.00080 162 3PX -0.00044 -0.00271 0.00153 -0.00093 0.00048 163 3PY -0.00032 -0.00014 0.00013 -0.00014 -0.00010 164 3PZ -0.00085 -0.00364 0.00237 -0.00098 0.00000 165 4XX -0.00010 0.00012 -0.00017 0.00017 -0.00007 166 4YY 0.00003 0.00001 0.00003 0.00002 -0.00007 167 4ZZ 0.00006 0.00005 0.00013 -0.00009 0.00001 168 4XY 0.00003 0.00014 -0.00008 0.00003 -0.00004 169 4XZ -0.00002 0.00007 -0.00003 0.00004 0.00001 170 4YZ 0.00009 0.00013 -0.00005 -0.00001 0.00001 171 21 C 1S 0.00002 -0.00012 0.00007 -0.00017 0.00003 172 2S -0.00008 0.00036 -0.00038 0.00037 -0.00012 173 2PX 0.00020 0.00074 -0.00013 0.00031 0.00002 174 2PY 0.00003 0.00072 -0.00085 0.00048 -0.00029 175 2PZ 0.00024 -0.00003 -0.00004 -0.00002 -0.00005 176 3S -0.00007 0.00060 -0.00040 0.00059 -0.00008 177 3PX -0.00005 0.00013 0.00075 -0.00012 0.00037 178 3PY -0.00019 0.00076 -0.00114 0.00051 -0.00010 179 3PZ -0.00008 -0.00071 0.00007 -0.00021 -0.00012 180 4XX -0.00006 -0.00019 0.00006 -0.00005 -0.00002 181 4YY 0.00001 0.00006 -0.00001 0.00003 0.00001 182 4ZZ 0.00006 0.00007 0.00001 0.00000 0.00002 183 4XY 0.00001 -0.00007 0.00009 -0.00002 0.00002 184 4XZ -0.00009 -0.00016 0.00003 -0.00003 -0.00001 185 4YZ -0.00002 -0.00013 0.00014 -0.00003 0.00003 186 22 H 1S 0.00029 0.00050 -0.00017 0.00018 0.00001 187 2S 0.00042 0.00117 0.00023 0.00015 0.00039 188 23 H 1S -0.00041 -0.00097 0.00025 -0.00031 -0.00007 189 2S -0.00060 -0.00197 0.00113 -0.00088 0.00011 61 62 63 64 65 61 5 H 1S 0.21724 62 2S 0.17508 0.16429 63 6 H 1S -0.02200 -0.02493 0.21724 64 2S -0.02493 -0.03127 0.17508 0.16428 65 7 C 1S -0.00020 -0.00032 0.00002 -0.00006 2.05261 66 2S 0.00178 0.00115 -0.00081 -0.00124 -0.06335 67 2PX 0.00449 0.01194 0.00140 -0.00782 -0.01176 68 2PY -0.00132 -0.00115 -0.00105 -0.00046 -0.00635 69 2PZ 0.00415 0.00746 -0.00024 -0.00694 0.01404 70 3S -0.00487 -0.00909 0.00819 0.01021 -0.17197 71 3PX 0.01027 0.01681 -0.00087 -0.00999 -0.02120 72 3PY -0.00725 -0.01081 0.00425 0.00992 -0.00657 73 3PZ -0.00468 -0.00448 0.00481 0.00221 0.00675 74 4XX 0.00094 0.00039 0.00001 -0.00018 -0.01239 75 4YY -0.00008 -0.00004 0.00001 -0.00014 -0.01714 76 4ZZ -0.00042 0.00006 -0.00010 0.00003 -0.01510 77 4XY -0.00001 -0.00063 0.00040 0.00092 0.00069 78 4XZ 0.00034 0.00061 -0.00019 -0.00060 0.00382 79 4YZ 0.00014 -0.00044 0.00037 0.00057 -0.00389 80 8 C 1S 0.00002 -0.00007 -0.00021 -0.00032 0.01932 81 2S -0.00081 -0.00124 0.00178 0.00115 -0.04074 82 2PX 0.00140 -0.00782 0.00449 0.01194 -0.01093 83 2PY 0.00105 0.00046 0.00132 0.00115 0.08149 84 2PZ -0.00024 -0.00694 0.00415 0.00745 -0.00944 85 3S 0.00819 0.01022 -0.00487 -0.00908 0.00367 86 3PX -0.00087 -0.00998 0.01027 0.01681 -0.00176 87 3PY -0.00425 -0.00992 0.00725 0.01081 0.00214 88 3PZ 0.00481 0.00221 -0.00468 -0.00448 -0.00504 89 4XX 0.00001 -0.00018 0.00094 0.00039 0.00306 90 4YY 0.00001 -0.00014 -0.00008 -0.00004 -0.00652 91 4ZZ -0.00010 0.00003 -0.00042 0.00006 0.00376 92 4XY -0.00040 -0.00092 0.00001 0.00063 0.00011 93 4XZ -0.00019 -0.00060 0.00034 0.00061 -0.00126 94 4YZ -0.00037 -0.00057 -0.00014 0.00044 -0.00094 95 9 H 1S -0.00954 -0.01804 -0.02322 -0.02695 -0.00158 96 2S -0.02017 -0.02680 -0.02780 -0.03281 -0.00291 97 10 H 1S -0.02322 -0.02696 -0.00954 -0.01804 0.00351 98 2S -0.02780 -0.03281 -0.02017 -0.02680 0.00299 99 11 C 1S -0.00076 -0.00031 -0.00724 -0.00969 -0.00111 100 2S 0.00121 0.00002 0.01592 0.02215 0.00217 101 2PX -0.00236 0.00181 -0.02366 -0.04596 -0.00249 102 2PY -0.00106 -0.00123 0.01141 0.01667 -0.00146 103 2PZ 0.00145 -0.00429 0.02600 0.05317 0.00247 104 3S 0.00394 0.00086 0.04112 0.05161 0.00506 105 3PX -0.00101 0.00221 -0.02444 -0.03546 -0.00016 106 3PY -0.00013 0.00083 0.01410 0.01671 -0.00059 107 3PZ -0.00072 -0.00433 0.01728 0.03123 0.00228 108 4XX -0.00012 -0.00076 0.00073 0.00122 -0.00015 109 4YY -0.00007 -0.00031 0.00006 -0.00009 0.00001 110 4ZZ 0.00081 0.00187 -0.00217 -0.00316 -0.00016 111 4XY 0.00086 0.00188 -0.00056 -0.00134 -0.00002 112 4XZ -0.00019 -0.00024 0.00042 -0.00063 -0.00023 113 4YZ -0.00072 -0.00174 0.00069 0.00166 0.00005 114 12 H 1S 0.00337 0.00973 -0.00920 -0.02129 -0.00089 115 2S 0.00687 0.01666 -0.02202 -0.03595 -0.00225 116 13 H 1S -0.00040 0.00019 0.00019 -0.00468 -0.00017 117 2S 0.00029 -0.00060 0.00013 -0.00455 -0.00101 118 14 C 1S -0.00724 -0.00969 -0.00076 -0.00031 -0.00252 119 2S 0.01592 0.02215 0.00121 0.00002 0.00388 120 2PX -0.02366 -0.04596 -0.00236 0.00181 -0.00833 121 2PY -0.01142 -0.01669 0.00106 0.00123 -0.00134 122 2PZ 0.02600 0.05317 0.00145 -0.00429 -0.00374 123 3S 0.04112 0.05161 0.00394 0.00086 0.01271 124 3PX -0.02444 -0.03546 -0.00100 0.00221 -0.00698 125 3PY -0.01411 -0.01673 0.00013 -0.00083 -0.00303 126 3PZ 0.01727 0.03123 -0.00072 -0.00433 -0.00322 127 4XX 0.00073 0.00122 -0.00012 -0.00076 -0.00136 128 4YY 0.00006 -0.00009 -0.00007 -0.00031 0.00003 129 4ZZ -0.00217 -0.00316 0.00081 0.00188 0.00050 130 4XY 0.00056 0.00134 -0.00086 -0.00188 0.00038 131 4XZ 0.00043 -0.00063 -0.00019 -0.00024 -0.00042 132 4YZ -0.00069 -0.00166 0.00072 0.00174 0.00007 133 15 H 1S -0.00920 -0.02129 0.00337 0.00973 0.00527 134 2S -0.02202 -0.03594 0.00687 0.01666 0.00153 135 16 H 1S 0.00019 -0.00468 -0.00040 0.00019 -0.00569 136 2S 0.00013 -0.00455 0.00029 -0.00060 -0.00773 137 17 H 1S 0.00126 0.00342 -0.00203 -0.00328 0.01685 138 2S 0.00406 0.00957 -0.00887 -0.01223 0.02111 139 18 H 1S -0.00203 -0.00328 0.00125 0.00342 -0.06712 140 2S -0.00887 -0.01223 0.00406 0.00957 -0.01673 141 19 O 1S 0.00130 -0.00056 -0.00024 -0.00051 0.00575 142 2S -0.00406 -0.00094 0.00104 0.00232 -0.01014 143 2PX -0.00787 0.00138 -0.00036 0.00181 -0.05526 144 2PY 0.00129 -0.00569 -0.00029 0.00247 -0.02650 145 2PZ -0.01335 0.00826 -0.00078 -0.00436 0.03854 146 3S 0.00047 0.00858 -0.00178 -0.00258 0.00858 147 3PX -0.00364 0.00378 -0.00173 -0.00069 -0.02442 148 3PY 0.00134 -0.00261 -0.00055 0.00096 -0.02159 149 3PZ -0.01084 0.00332 -0.00012 -0.00156 0.01944 150 4XX -0.00012 0.00019 0.00000 -0.00020 -0.00264 151 4YY -0.00052 -0.00103 0.00012 0.00029 -0.00114 152 4ZZ 0.00005 -0.00066 0.00016 0.00056 -0.00133 153 4XY -0.00015 0.00023 -0.00010 -0.00003 -0.00424 154 4XZ 0.00039 0.00027 -0.00005 -0.00015 0.00528 155 4YZ -0.00060 0.00033 0.00007 -0.00010 0.00346 156 20 O 1S -0.00024 -0.00051 0.00130 -0.00056 -0.00167 157 2S 0.00104 0.00232 -0.00406 -0.00093 0.00707 158 2PX -0.00036 0.00181 -0.00787 0.00138 0.00948 159 2PY 0.00029 -0.00247 -0.00129 0.00569 -0.02371 160 2PZ -0.00078 -0.00436 -0.01335 0.00827 0.00043 161 3S -0.00178 -0.00258 0.00047 0.00859 -0.00448 162 3PX -0.00173 -0.00070 -0.00364 0.00378 0.00713 163 3PY 0.00055 -0.00096 -0.00134 0.00262 -0.01440 164 3PZ -0.00012 -0.00156 -0.01084 0.00333 0.00259 165 4XX 0.00000 -0.00020 -0.00012 0.00019 0.00035 166 4YY 0.00012 0.00029 -0.00052 -0.00103 0.00145 167 4ZZ 0.00016 0.00056 0.00005 -0.00066 0.00100 168 4XY 0.00010 0.00003 0.00015 -0.00023 0.00095 169 4XZ -0.00005 -0.00015 0.00039 0.00027 0.00014 170 4YZ -0.00007 0.00010 0.00060 -0.00033 -0.00075 171 21 C 1S -0.00011 0.00008 -0.00011 0.00008 -0.00314 172 2S -0.00046 -0.00106 -0.00046 -0.00106 0.00673 173 2PX 0.00046 -0.00132 0.00046 -0.00132 0.01268 174 2PY -0.00125 -0.00019 0.00125 0.00019 -0.00315 175 2PZ -0.00164 0.00139 -0.00164 0.00139 -0.00738 176 3S 0.00059 -0.00064 0.00059 -0.00065 0.01015 177 3PX 0.00267 0.00264 0.00268 0.00264 0.01056 178 3PY -0.00270 -0.00379 0.00270 0.00379 -0.00295 179 3PZ -0.00340 -0.00048 -0.00340 -0.00047 -0.00561 180 4XX -0.00036 -0.00001 -0.00036 -0.00001 -0.00080 181 4YY 0.00005 -0.00007 0.00005 -0.00008 0.00216 182 4ZZ 0.00009 -0.00007 0.00009 -0.00007 -0.00173 183 4XY 0.00016 0.00016 -0.00016 -0.00016 0.00068 184 4XZ -0.00029 0.00016 -0.00029 0.00016 0.00080 185 4YZ 0.00048 -0.00036 -0.00048 0.00036 -0.00033 186 22 H 1S 0.00014 0.00040 0.00013 0.00040 -0.00640 187 2S 0.00523 0.00336 0.00523 0.00336 -0.00610 188 23 H 1S -0.00125 0.00030 -0.00125 0.00030 -0.00128 189 2S -0.00258 0.00181 -0.00258 0.00182 0.00095 66 67 68 69 70 66 2S 0.33257 67 2PX 0.01998 0.35371 68 2PY 0.01501 -0.03631 0.42804 69 2PZ -0.02170 0.01905 0.02886 0.37250 70 3S 0.27273 0.08757 -0.01080 -0.02661 0.29971 71 3PX 0.04292 0.18178 -0.03495 0.08695 0.06706 72 3PY 0.00325 -0.04957 0.11867 -0.01997 0.00400 73 3PZ -0.02186 0.07208 -0.00936 0.15201 0.00050 74 4XX -0.01159 -0.01053 -0.00768 0.01098 -0.00903 75 4YY -0.00125 0.00616 0.01253 -0.00529 -0.00021 76 4ZZ -0.00556 0.00141 -0.01278 -0.00455 -0.00500 77 4XY -0.00120 -0.00172 -0.00375 0.01206 -0.00208 78 4XZ -0.00899 0.00965 0.01029 -0.00675 -0.00357 79 4YZ 0.00798 0.01323 -0.00743 -0.00864 0.01236 80 8 C 1S -0.04074 -0.01094 -0.08149 -0.00947 0.00368 81 2S 0.07597 0.02249 0.16744 0.01925 0.02478 82 2PX 0.02249 0.16291 -0.01405 0.10689 0.04727 83 2PY -0.16745 0.01401 -0.32253 0.03096 -0.13774 84 2PZ 0.01921 0.10689 -0.03108 0.12973 0.06410 85 3S 0.02479 0.04730 0.13772 0.06416 -0.03679 86 3PX 0.00269 0.10791 -0.01352 0.06752 0.02454 87 3PY -0.01919 0.01645 -0.09538 0.01932 0.00689 88 3PZ 0.01675 0.06606 -0.03743 0.08653 0.03435 89 4XX -0.00698 0.00153 -0.01249 0.00060 -0.00353 90 4YY 0.01196 -0.00050 0.00768 0.00132 0.01095 91 4ZZ -0.00871 -0.00354 -0.01074 -0.00492 -0.00908 92 4XY -0.00072 -0.01305 0.00508 -0.00442 -0.00647 93 4XZ 0.00299 -0.00134 0.00510 -0.00098 0.00359 94 4YZ 0.00176 -0.00411 -0.00039 -0.01358 0.00473 95 9 H 1S 0.00237 -0.00430 0.00874 -0.00434 0.01883 96 2S 0.00462 0.00196 0.01591 0.00488 0.02529 97 10 H 1S -0.00613 -0.01582 0.01298 -0.00548 -0.02333 98 2S -0.00426 -0.02176 0.01746 -0.01239 -0.02506 99 11 C 1S 0.00181 0.00869 -0.00054 0.00636 0.00590 100 2S -0.00414 -0.01777 0.00136 -0.01399 -0.00783 101 2PX 0.00432 0.02088 0.00079 0.01474 0.01472 102 2PY 0.00201 0.00592 0.00077 0.00442 0.00701 103 2PZ -0.00326 -0.01050 -0.00034 -0.01052 -0.01728 104 3S -0.00646 -0.06640 0.01067 -0.04808 -0.02351 105 3PX -0.00019 0.00533 0.00062 -0.00111 0.00234 106 3PY -0.00053 -0.00025 0.00522 -0.00525 0.00615 107 3PZ -0.00320 -0.01256 -0.00323 -0.01130 -0.01200 108 4XX 0.00025 0.00239 -0.00105 0.00074 0.00063 109 4YY -0.00008 -0.00133 0.00075 -0.00048 -0.00002 110 4ZZ 0.00035 -0.00044 0.00031 -0.00004 -0.00020 111 4XY -0.00012 0.00015 0.00039 0.00053 -0.00068 112 4XZ 0.00039 0.00156 0.00014 0.00103 0.00133 113 4YZ -0.00009 -0.00041 0.00071 -0.00021 -0.00091 114 12 H 1S 0.00093 -0.00030 -0.00055 0.00171 0.00694 115 2S 0.00354 0.01051 -0.00519 0.00986 0.00815 116 13 H 1S -0.00010 0.00825 -0.00090 0.00462 0.00309 117 2S 0.00165 0.02950 -0.00628 0.02402 0.00910 118 14 C 1S 0.00480 0.00742 -0.00329 0.00118 0.00751 119 2S -0.00790 -0.02077 0.00691 -0.00214 -0.01862 120 2PX 0.01838 0.02874 -0.01257 0.00752 0.03650 121 2PY 0.00288 0.00193 -0.00483 -0.00437 0.00836 122 2PZ 0.00642 0.00451 -0.00858 -0.00896 0.02678 123 3S -0.02730 -0.02700 0.02355 -0.01479 -0.03283 124 3PX 0.01247 0.00066 -0.00632 0.00749 0.01724 125 3PY 0.00508 0.01965 -0.00940 0.00328 0.01615 126 3PZ 0.00394 0.00522 -0.00968 -0.01191 0.01052 127 4XX 0.00219 0.00744 -0.00215 0.00482 0.00463 128 4YY -0.00022 -0.00284 0.00071 -0.00169 -0.00125 129 4ZZ -0.00107 -0.00457 0.00135 -0.00251 -0.00270 130 4XY -0.00071 -0.00066 0.00040 -0.00003 -0.00136 131 4XZ 0.00107 0.00081 -0.00036 -0.00008 0.00062 132 4YZ -0.00035 0.00036 -0.00022 0.00084 -0.00098 133 15 H 1S -0.00988 -0.02033 0.00878 -0.00529 -0.03048 134 2S -0.00350 -0.01467 0.00001 -0.01675 -0.02129 135 16 H 1S 0.01142 0.02669 -0.00982 0.01420 0.02482 136 2S 0.01691 0.06151 -0.01884 0.03321 0.03964 137 17 H 1S -0.03779 -0.01256 -0.04264 -0.00219 -0.07011 138 2S -0.04292 -0.02474 -0.07153 0.00606 -0.06765 139 18 H 1S 0.13219 0.07497 -0.16955 -0.18398 0.13428 140 2S 0.03913 0.03836 -0.14223 -0.16122 0.04264 141 19 O 1S -0.00817 0.02660 0.00953 -0.02436 0.03492 142 2S 0.01260 -0.06256 -0.03256 0.05495 -0.08912 143 2PX 0.11974 -0.16219 -0.10596 0.18092 0.03539 144 2PY 0.05514 -0.08201 -0.03448 0.07955 0.06760 145 2PZ -0.07485 0.18836 0.07734 -0.08635 -0.08962 146 3S -0.01457 -0.03691 0.02898 0.05866 -0.13466 147 3PX 0.05739 -0.09466 -0.05563 0.08461 0.00258 148 3PY 0.04412 -0.05065 -0.03050 0.06485 0.05257 149 3PZ -0.03657 0.09280 0.04358 -0.06402 -0.05650 150 4XX 0.00396 0.00732 -0.00643 0.00497 0.00520 151 4YY 0.00121 -0.00361 -0.00068 0.00434 0.00233 152 4ZZ 0.00154 -0.00647 -0.00547 -0.00851 0.00370 153 4XY 0.00849 -0.00830 0.00376 0.00942 0.00425 154 4XZ -0.00877 0.00426 0.00366 -0.00103 -0.00578 155 4YZ -0.00613 0.01220 -0.00314 -0.00307 -0.00522 156 20 O 1S 0.00506 -0.00606 0.00187 0.00720 -0.02204 157 2S -0.01595 0.01455 -0.01745 -0.01528 0.04463 158 2PX -0.02371 -0.05405 -0.04109 -0.03138 -0.03900 159 2PY 0.05641 -0.02194 0.05731 0.01761 0.12850 160 2PZ -0.00376 -0.05069 0.04294 -0.05474 -0.01852 161 3S -0.00280 0.04408 0.02610 -0.04175 0.08733 162 3PX -0.01771 -0.04782 -0.02586 -0.03641 -0.03136 163 3PY 0.03755 -0.02402 0.04144 0.00844 0.08187 164 3PZ -0.00727 -0.05535 0.03222 -0.04923 -0.02232 165 4XX -0.00011 0.00296 -0.00359 0.00422 0.00069 166 4YY -0.00240 0.00041 -0.00269 0.00110 -0.00732 167 4ZZ -0.00105 -0.00402 -0.00273 -0.00165 -0.00196 168 4XY -0.00216 0.00302 -0.00611 0.00029 0.00006 169 4XZ -0.00039 0.00122 -0.00119 -0.00038 -0.00026 170 4YZ 0.00153 -0.00079 0.00423 -0.00014 -0.00025 171 21 C 1S 0.00638 -0.01153 0.00990 0.00088 0.00659 172 2S -0.01754 0.03151 -0.03286 0.00092 -0.00918 173 2PX -0.03068 0.02353 -0.02099 -0.02324 -0.04601 174 2PY 0.00785 -0.03051 -0.02360 0.03727 -0.01697 175 2PZ 0.01915 -0.02701 0.00820 -0.00102 0.03497 176 3S -0.01295 0.04936 -0.04940 -0.00081 0.00518 177 3PX -0.01966 -0.00273 -0.01597 -0.03446 -0.02794 178 3PY 0.00740 -0.03168 -0.00310 0.02777 -0.00490 179 3PZ 0.00942 -0.01389 0.00427 -0.00634 0.00687 180 4XX 0.00210 -0.00733 -0.00190 0.00471 -0.00284 181 4YY -0.00472 0.00926 0.00494 -0.00647 -0.00306 182 4ZZ 0.00371 -0.00745 -0.00112 0.00216 0.00512 183 4XY -0.00166 0.00086 -0.00201 -0.00226 -0.00068 184 4XZ -0.00197 0.00588 -0.00055 -0.00268 -0.00163 185 4YZ 0.00055 -0.00624 0.00076 -0.00037 0.00114 186 22 H 1S 0.01540 -0.02378 -0.00702 0.01456 0.03113 187 2S 0.01494 -0.04144 0.00542 0.01429 0.02964 188 23 H 1S 0.00251 -0.00526 -0.00494 0.00591 -0.00401 189 2S -0.00188 -0.03558 0.00678 -0.02528 -0.02481 71 72 73 74 75 71 3PX 0.12474 72 3PY -0.03311 0.05431 73 3PZ 0.06146 -0.02263 0.08173 74 4XX -0.00247 -0.00219 0.00351 0.00257 75 4YY -0.00008 0.00157 -0.00049 -0.00066 0.00122 76 4ZZ 0.00044 -0.00161 -0.00234 -0.00051 -0.00036 77 4XY 0.00129 -0.00261 0.00470 0.00076 -0.00008 78 4XZ 0.00042 0.00122 0.00012 -0.00029 0.00086 79 4YZ 0.00582 -0.00152 -0.00033 -0.00050 0.00004 80 8 C 1S -0.00177 -0.00213 -0.00504 0.00306 -0.00652 81 2S 0.00269 0.01918 0.01675 -0.00698 0.01196 82 2PX 0.10791 -0.01648 0.06605 0.00153 -0.00050 83 2PY 0.01350 -0.09537 0.03739 0.01249 -0.00768 84 2PZ 0.06753 -0.01937 0.08653 0.00060 0.00131 85 3S 0.02456 -0.00691 0.03436 -0.00353 0.01095 86 3PX 0.06258 -0.01793 0.05315 0.00135 0.00199 87 3PY 0.01791 -0.01861 0.01741 0.00402 -0.00317 88 3PZ 0.05316 -0.01743 0.04910 0.00175 -0.00133 89 4XX 0.00135 -0.00402 0.00175 0.00068 -0.00030 90 4YY 0.00199 0.00317 -0.00132 -0.00030 -0.00012 91 4ZZ -0.00425 -0.00188 -0.00197 0.00019 -0.00030 92 4XY -0.00819 0.00235 -0.00436 0.00013 -0.00009 93 4XZ 0.00003 0.00294 -0.00229 -0.00006 -0.00025 94 4YZ -0.00509 0.00303 -0.00620 -0.00048 0.00008 95 9 H 1S -0.00227 0.00883 -0.00334 -0.00027 0.00011 96 2S 0.00329 0.00984 0.00171 0.00020 0.00003 97 10 H 1S -0.01586 -0.00394 -0.00445 0.00013 0.00115 98 2S -0.01979 -0.00221 -0.00895 -0.00085 0.00170 99 11 C 1S 0.00659 -0.00087 0.00574 -0.00012 0.00005 100 2S -0.01730 0.00302 -0.00704 0.00019 0.00008 101 2PX 0.01933 0.00355 0.00955 -0.00068 0.00046 102 2PY 0.00217 0.00163 0.00872 -0.00028 -0.00026 103 2PZ -0.01183 0.00358 -0.00538 -0.00014 0.00027 104 3S -0.04975 0.01822 -0.03325 -0.00132 -0.00051 105 3PX 0.00345 0.00167 0.00066 -0.00064 0.00060 106 3PY -0.00336 0.00512 0.00081 -0.00024 -0.00012 107 3PZ -0.01093 0.00281 -0.00581 -0.00021 -0.00002 108 4XX 0.00100 0.00021 0.00097 -0.00006 0.00007 109 4YY -0.00067 0.00047 -0.00066 0.00003 -0.00001 110 4ZZ 0.00017 -0.00081 -0.00019 -0.00002 -0.00003 111 4XY 0.00054 0.00060 -0.00011 0.00007 -0.00001 112 4XZ 0.00122 -0.00003 0.00086 -0.00001 0.00003 113 4YZ -0.00033 0.00057 -0.00004 -0.00002 0.00003 114 12 H 1S 0.00101 -0.00437 0.00150 0.00022 -0.00037 115 2S 0.01119 -0.01101 0.00609 0.00037 -0.00044 116 13 H 1S 0.00534 0.00559 0.00481 -0.00021 0.00033 117 2S 0.02228 0.00152 0.01616 0.00068 0.00028 118 14 C 1S 0.00620 -0.00413 0.00045 -0.00102 0.00005 119 2S -0.00786 0.00703 -0.00999 0.00157 -0.00062 120 2PX 0.01115 -0.02235 0.01892 -0.00369 0.00094 121 2PY -0.00189 -0.00382 -0.00286 -0.00007 0.00025 122 2PZ 0.00121 -0.01032 -0.00721 -0.00053 -0.00026 123 3S -0.01694 0.01115 -0.01681 0.00053 0.00010 124 3PX -0.00040 -0.00820 0.00772 -0.00120 -0.00021 125 3PY 0.01069 -0.00503 0.00600 0.00009 0.00016 126 3PZ 0.00267 -0.00539 -0.00718 -0.00164 -0.00010 127 4XX 0.00475 -0.00286 0.00364 0.00008 -0.00005 128 4YY -0.00209 0.00033 -0.00131 -0.00006 0.00005 129 4ZZ -0.00276 0.00257 -0.00178 -0.00011 0.00000 130 4XY -0.00007 0.00068 -0.00051 0.00012 -0.00001 131 4XZ 0.00061 -0.00055 0.00031 -0.00013 0.00004 132 4YZ 0.00028 0.00030 0.00062 0.00010 -0.00003 133 15 H 1S -0.00988 0.01592 -0.00562 0.00064 -0.00016 134 2S -0.00873 0.01604 -0.00795 -0.00125 0.00008 135 16 H 1S 0.01504 -0.01742 0.01523 -0.00108 0.00009 136 2S 0.03713 -0.02693 0.03098 -0.00018 0.00024 137 17 H 1S -0.00642 -0.02493 -0.00022 0.00263 0.00051 138 2S -0.00799 -0.02647 -0.00150 0.00349 -0.00295 139 18 H 1S 0.02269 -0.03639 -0.06121 -0.00934 -0.00167 140 2S -0.00484 -0.02192 -0.05495 -0.00724 -0.00147 141 19 O 1S -0.00475 0.01020 0.00952 -0.00322 0.00182 142 2S 0.01373 -0.02120 -0.02437 0.00839 -0.00409 143 2PX -0.03146 -0.01152 0.03240 -0.00944 -0.00918 144 2PY 0.02144 0.04807 0.00630 0.01046 -0.01654 145 2PZ 0.07251 0.03329 -0.03092 -0.02940 0.00565 146 3S 0.02485 -0.01206 -0.02985 0.00468 -0.00024 147 3PX -0.02166 0.00067 0.00691 -0.00783 -0.00558 148 3PY 0.01953 0.02862 0.00931 0.00632 -0.01096 149 3PZ 0.03126 0.02424 -0.02963 -0.02040 0.00316 150 4XX 0.00493 -0.00303 0.00340 -0.00032 -0.00004 151 4YY 0.00108 0.00265 0.00113 0.00061 -0.00085 152 4ZZ -0.00568 -0.00102 -0.00309 0.00039 0.00003 153 4XY -0.00179 0.00214 0.00152 -0.00057 -0.00024 154 4XZ 0.00025 0.00086 0.00111 0.00006 0.00022 155 4YZ 0.00470 -0.00169 0.00029 -0.00114 0.00030 156 20 O 1S 0.00010 -0.00840 -0.00190 0.00001 -0.00112 157 2S -0.00143 0.01356 0.00723 0.00037 0.00166 158 2PX -0.06129 -0.00425 -0.00347 -0.00316 0.00309 159 2PY 0.02258 0.07207 -0.02403 0.00010 -0.00537 160 2PZ -0.06052 0.04182 -0.03842 -0.00257 -0.00238 161 3S 0.00886 0.03795 -0.00345 -0.00164 0.00285 162 3PX -0.05161 0.00043 -0.01116 -0.00260 0.00146 163 3PY 0.00998 0.05021 -0.01957 0.00019 -0.00403 164 3PZ -0.05506 0.03132 -0.03403 -0.00153 -0.00135 165 4XX 0.00177 -0.00133 0.00260 -0.00003 0.00007 166 4YY -0.00045 -0.00374 0.00171 0.00023 0.00005 167 4ZZ -0.00144 -0.00125 -0.00161 0.00020 -0.00008 168 4XY 0.00314 -0.00169 0.00009 0.00042 -0.00039 169 4XZ 0.00114 0.00043 -0.00069 0.00002 -0.00029 170 4YZ -0.00006 -0.00031 0.00022 -0.00011 0.00036 171 21 C 1S -0.00869 0.00707 -0.00110 -0.00090 0.00096 172 2S 0.01919 -0.01699 0.00906 0.00265 -0.00239 173 2PX 0.02153 -0.00387 -0.00788 0.00613 -0.00375 174 2PY -0.02817 -0.02954 0.02185 -0.00294 0.00283 175 2PZ -0.02188 -0.00446 -0.00484 -0.00296 0.00195 176 3S 0.02303 -0.02300 0.01582 0.00059 -0.00173 177 3PX -0.00701 0.00175 -0.01562 0.00036 -0.00157 178 3PY -0.01051 0.00031 0.00461 0.00021 -0.00093 179 3PZ -0.01224 0.00257 -0.00743 -0.00345 0.00071 180 4XX -0.00316 0.00097 0.00061 -0.00048 -0.00031 181 4YY 0.00456 0.00140 -0.00241 0.00034 0.00018 182 4ZZ -0.00388 -0.00126 0.00064 0.00021 0.00013 183 4XY -0.00386 -0.00347 0.00208 -0.00027 0.00068 184 4XZ 0.00126 0.00087 -0.00070 -0.00104 0.00015 185 4YZ -0.00306 0.00150 -0.00113 0.00104 -0.00032 186 22 H 1S -0.01290 -0.01181 0.00640 0.00094 0.00056 187 2S -0.01985 -0.00733 0.00350 0.00366 0.00073 188 23 H 1S -0.00738 0.00321 0.00178 -0.00398 -0.00002 189 2S -0.03243 0.01793 -0.02142 -0.00782 0.00013 76 77 78 79 80 76 4ZZ 0.00177 77 4XY -0.00055 0.00157 78 4XZ -0.00049 -0.00038 0.00159 79 4YZ 0.00000 -0.00056 0.00008 0.00181 80 8 C 1S 0.00376 -0.00011 -0.00126 0.00093 2.05261 81 2S -0.00871 0.00072 0.00299 -0.00175 -0.06334 82 2PX -0.00354 0.01305 -0.00134 0.00411 -0.01176 83 2PY 0.01074 0.00508 -0.00510 -0.00040 0.00634 84 2PZ -0.00492 0.00442 -0.00098 0.01358 0.01404 85 3S -0.00908 0.00648 0.00359 -0.00473 -0.17198 86 3PX -0.00425 0.00819 0.00003 0.00509 -0.02120 87 3PY 0.00188 0.00235 -0.00294 0.00302 0.00657 88 3PZ -0.00196 0.00436 -0.00229 0.00620 0.00674 89 4XX 0.00019 -0.00013 -0.00006 0.00048 -0.01239 90 4YY -0.00031 0.00009 -0.00025 -0.00008 -0.01714 91 4ZZ 0.00079 0.00000 -0.00011 -0.00019 -0.01510 92 4XY 0.00000 0.00003 -0.00031 -0.00058 -0.00069 93 4XZ -0.00011 0.00031 0.00001 -0.00019 0.00382 94 4YZ 0.00019 -0.00058 0.00019 0.00061 0.00389 95 9 H 1S -0.00015 -0.00109 0.00041 -0.00054 0.00352 96 2S -0.00073 -0.00139 0.00109 -0.00106 0.00300 97 10 H 1S -0.00051 -0.00129 0.00029 -0.00132 -0.00157 98 2S -0.00047 -0.00010 -0.00036 -0.00092 -0.00290 99 11 C 1S -0.00043 0.00017 0.00013 0.00020 -0.00252 100 2S 0.00076 -0.00072 -0.00013 -0.00039 0.00388 101 2PX -0.00081 0.00117 0.00000 0.00086 -0.00833 102 2PY -0.00015 -0.00033 0.00030 0.00029 0.00134 103 2PZ 0.00080 0.00008 0.00001 -0.00017 -0.00374 104 3S 0.00260 -0.00093 -0.00191 -0.00113 0.01272 105 3PX -0.00021 0.00002 0.00029 0.00053 -0.00698 106 3PY 0.00006 -0.00104 0.00101 -0.00020 0.00303 107 3PZ 0.00076 0.00008 -0.00045 -0.00033 -0.00322 108 4XX -0.00007 0.00035 -0.00009 0.00034 -0.00136 109 4YY 0.00001 -0.00013 0.00005 -0.00013 0.00003 110 4ZZ 0.00003 -0.00023 0.00006 -0.00018 0.00050 111 4XY -0.00004 0.00004 0.00000 -0.00001 -0.00038 112 4XZ -0.00007 0.00002 0.00002 0.00001 -0.00042 113 4YZ 0.00001 -0.00005 0.00000 -0.00007 -0.00008 114 12 H 1S -0.00001 -0.00092 0.00020 -0.00054 0.00527 115 2S -0.00021 -0.00096 0.00034 -0.00087 0.00154 116 13 H 1S -0.00032 0.00129 -0.00034 0.00108 -0.00569 117 2S -0.00144 0.00305 -0.00062 0.00220 -0.00774 118 14 C 1S -0.00016 0.00019 0.00002 0.00076 -0.00111 119 2S -0.00010 -0.00037 -0.00007 -0.00131 0.00217 120 2PX 0.00063 0.00065 -0.00012 0.00182 -0.00249 121 2PY 0.00044 -0.00021 0.00013 -0.00009 0.00146 122 2PZ 0.00031 -0.00053 0.00085 0.00048 0.00247 123 3S 0.00097 -0.00252 0.00241 -0.00406 0.00506 124 3PX 0.00054 0.00016 -0.00067 0.00018 -0.00016 125 3PY -0.00022 -0.00030 0.00049 0.00080 0.00059 126 3PZ 0.00151 -0.00096 -0.00008 0.00020 0.00228 127 4XX -0.00012 -0.00002 0.00026 0.00012 -0.00015 128 4YY 0.00008 -0.00005 -0.00009 -0.00007 0.00001 129 4ZZ 0.00012 0.00006 -0.00026 -0.00005 -0.00016 130 4XY -0.00004 -0.00003 0.00001 -0.00007 0.00002 131 4XZ 0.00001 0.00005 -0.00010 0.00011 -0.00023 132 4YZ -0.00002 0.00003 0.00002 -0.00001 -0.00005 133 15 H 1S 0.00013 0.00028 -0.00112 -0.00061 -0.00089 134 2S 0.00120 0.00041 -0.00224 0.00075 -0.00225 135 16 H 1S -0.00012 0.00011 0.00077 0.00087 -0.00017 136 2S -0.00138 0.00081 0.00156 0.00221 -0.00101 137 17 H 1S 0.00228 0.00243 -0.00114 -0.00701 -0.06712 138 2S 0.00487 0.00041 -0.00217 -0.00665 -0.01673 139 18 H 1S 0.00676 -0.00634 -0.00355 0.01345 0.01685 140 2S 0.00845 -0.00604 -0.00266 0.01024 0.02111 141 19 O 1S -0.00090 -0.00470 0.00505 0.00413 -0.00167 142 2S 0.00235 0.01079 -0.01161 -0.00922 0.00707 143 2PX 0.01398 0.00448 -0.02005 -0.01220 0.00948 144 2PY 0.00638 -0.01261 -0.01476 0.00926 0.02371 145 2PZ 0.02477 -0.01652 0.00340 0.00084 0.00044 146 3S 0.00267 0.01469 -0.00972 -0.01448 -0.00448 147 3PX 0.01124 -0.00028 -0.01187 -0.00699 0.00713 148 3PY 0.00436 -0.00710 -0.01042 0.00564 0.01439 149 3PZ 0.01746 -0.01091 0.00064 -0.00083 0.00260 150 4XX 0.00019 0.00022 -0.00006 0.00013 0.00035 151 4YY 0.00032 -0.00094 -0.00074 0.00074 0.00145 152 4ZZ -0.00048 0.00014 0.00023 0.00017 0.00100 153 4XY 0.00030 0.00006 -0.00079 -0.00053 -0.00095 154 4XZ -0.00002 -0.00024 0.00065 0.00001 0.00014 155 4YZ 0.00107 -0.00033 0.00029 0.00010 0.00075 156 20 O 1S -0.00027 0.00006 -0.00024 -0.00031 0.00575 157 2S 0.00067 0.00010 0.00049 0.00054 -0.01014 158 2PX 0.00289 -0.00582 0.00024 0.00542 -0.05526 159 2PY 0.00049 0.00300 -0.00140 -0.00364 0.02649 160 2PZ 0.00310 0.00420 -0.00091 -0.00347 0.03854 161 3S -0.00035 0.00067 0.00291 0.00097 0.00859 162 3PX 0.00278 -0.00413 0.00006 0.00252 -0.02442 163 3PY 0.00066 0.00134 -0.00124 -0.00270 0.02158 164 3PZ 0.00229 0.00166 -0.00035 -0.00313 0.01945 165 4XX -0.00004 0.00054 -0.00008 0.00008 -0.00264 166 4YY -0.00002 -0.00036 -0.00014 0.00034 -0.00114 167 4ZZ 0.00005 -0.00011 0.00004 -0.00041 -0.00134 168 4XY 0.00015 0.00033 -0.00011 -0.00019 0.00424 169 4XZ 0.00022 0.00000 -0.00009 0.00008 0.00528 170 4YZ -0.00031 -0.00040 0.00015 0.00004 -0.00346 171 21 C 1S -0.00057 0.00137 -0.00004 -0.00181 -0.00314 172 2S 0.00111 -0.00301 -0.00068 0.00437 0.00673 173 2PX 0.00264 -0.00532 -0.00384 0.00547 0.01268 174 2PY -0.00156 0.00802 -0.00057 -0.00723 0.00315 175 2PZ -0.00165 0.00251 0.00166 -0.00160 -0.00738 176 3S 0.00098 -0.00263 0.00112 0.00502 0.01015 177 3PX 0.00328 -0.00344 -0.00084 0.00130 0.01056 178 3PY 0.00015 0.00334 -0.00257 -0.00314 0.00295 179 3PZ 0.00177 0.00021 -0.00038 -0.00124 -0.00561 180 4XX 0.00078 -0.00045 -0.00076 -0.00012 -0.00080 181 4YY -0.00013 0.00018 0.00039 0.00003 0.00216 182 4ZZ -0.00067 0.00033 0.00018 -0.00020 -0.00173 183 4XY -0.00053 0.00051 0.00063 -0.00023 -0.00068 184 4XZ 0.00079 -0.00003 0.00020 -0.00020 0.00080 185 4YZ -0.00065 0.00033 -0.00006 0.00012 0.00033 186 22 H 1S -0.00334 0.00174 0.00116 0.00005 -0.00640 187 2S -0.00572 0.00256 0.00167 -0.00088 -0.00610 188 23 H 1S 0.00291 -0.00086 -0.00022 -0.00136 -0.00128 189 2S 0.00705 -0.00259 -0.00116 -0.00382 0.00095 81 82 83 84 85 81 2S 0.33256 82 2PX 0.01998 0.35371 83 2PY -0.01501 0.03630 0.42805 84 2PZ -0.02170 0.01906 -0.02885 0.37249 85 3S 0.27274 0.08760 0.01081 -0.02658 0.29975 86 3PX 0.04292 0.18177 0.03493 0.08694 0.06709 87 3PY -0.00325 0.04955 0.11867 0.01996 -0.00400 88 3PZ -0.02185 0.07208 0.00935 0.15202 0.00052 89 4XX -0.01159 -0.01053 0.00768 0.01099 -0.00903 90 4YY -0.00125 0.00616 -0.01253 -0.00529 -0.00021 91 4ZZ -0.00556 0.00140 0.01278 -0.00454 -0.00500 92 4XY 0.00120 0.00172 -0.00375 -0.01206 0.00208 93 4XZ -0.00899 0.00965 -0.01029 -0.00676 -0.00357 94 4YZ -0.00798 -0.01323 -0.00744 0.00864 -0.01236 95 9 H 1S -0.00613 -0.01583 -0.01299 -0.00548 -0.02334 96 2S -0.00427 -0.02177 -0.01747 -0.01240 -0.02507 97 10 H 1S 0.00237 -0.00430 -0.00874 -0.00434 0.01882 98 2S 0.00461 0.00196 -0.01590 0.00488 0.02528 99 11 C 1S 0.00480 0.00742 0.00329 0.00118 0.00752 100 2S -0.00791 -0.02078 -0.00691 -0.00214 -0.01863 101 2PX 0.01839 0.02875 0.01257 0.00752 0.03653 102 2PY -0.00289 -0.00193 -0.00484 0.00437 -0.00836 103 2PZ 0.00643 0.00451 0.00859 -0.00897 0.02679 104 3S -0.02731 -0.02701 -0.02355 -0.01480 -0.03285 105 3PX 0.01248 0.00066 0.00632 0.00749 0.01725 106 3PY -0.00508 -0.01966 -0.00941 -0.00327 -0.01615 107 3PZ 0.00394 0.00522 0.00968 -0.01192 0.01052 108 4XX 0.00219 0.00744 0.00215 0.00482 0.00463 109 4YY -0.00022 -0.00284 -0.00071 -0.00169 -0.00125 110 4ZZ -0.00107 -0.00457 -0.00135 -0.00251 -0.00270 111 4XY 0.00071 0.00066 0.00040 0.00003 0.00136 112 4XZ 0.00107 0.00081 0.00036 -0.00008 0.00062 113 4YZ 0.00035 -0.00036 -0.00022 -0.00084 0.00098 114 12 H 1S -0.00989 -0.02034 -0.00879 -0.00529 -0.03049 115 2S -0.00350 -0.01468 -0.00001 -0.01675 -0.02130 116 13 H 1S 0.01142 0.02669 0.00982 0.01420 0.02484 117 2S 0.01692 0.06151 0.01884 0.03321 0.03966 118 14 C 1S 0.00181 0.00868 0.00054 0.00636 0.00590 119 2S -0.00414 -0.01776 -0.00136 -0.01399 -0.00783 120 2PX 0.00432 0.02088 -0.00080 0.01474 0.01472 121 2PY -0.00201 -0.00592 0.00077 -0.00442 -0.00700 122 2PZ -0.00326 -0.01050 0.00034 -0.01052 -0.01729 123 3S -0.00646 -0.06639 -0.01066 -0.04806 -0.02351 124 3PX -0.00019 0.00533 -0.00062 -0.00111 0.00234 125 3PY 0.00054 0.00025 0.00521 0.00526 -0.00614 126 3PZ -0.00320 -0.01256 0.00324 -0.01129 -0.01200 127 4XX 0.00025 0.00239 0.00105 0.00074 0.00063 128 4YY -0.00008 -0.00133 -0.00075 -0.00048 -0.00002 129 4ZZ 0.00035 -0.00044 -0.00031 -0.00004 -0.00020 130 4XY 0.00012 -0.00015 0.00039 -0.00053 0.00068 131 4XZ 0.00039 0.00156 -0.00014 0.00103 0.00133 132 4YZ 0.00009 0.00041 0.00071 0.00021 0.00091 133 15 H 1S 0.00093 -0.00030 0.00055 0.00171 0.00694 134 2S 0.00354 0.01051 0.00519 0.00986 0.00816 135 16 H 1S -0.00011 0.00824 0.00090 0.00462 0.00309 136 2S 0.00165 0.02949 0.00627 0.02402 0.00911 137 17 H 1S 0.13219 0.07497 0.16959 -0.18395 0.13428 138 2S 0.03913 0.03835 0.14226 -0.16120 0.04263 139 18 H 1S -0.03778 -0.01256 0.04264 -0.00217 -0.07012 140 2S -0.04292 -0.02474 0.07154 0.00608 -0.06765 141 19 O 1S 0.00506 -0.00606 -0.00188 0.00720 -0.02204 142 2S -0.01595 0.01455 0.01746 -0.01528 0.04462 143 2PX -0.02371 -0.05405 0.04110 -0.03137 -0.03900 144 2PY -0.05641 0.02195 0.05733 -0.01758 -0.12849 145 2PZ -0.00378 -0.05069 -0.04291 -0.05475 -0.01855 146 3S -0.00280 0.04409 -0.02608 -0.04176 0.08732 147 3PX -0.01771 -0.04782 0.02587 -0.03640 -0.03136 148 3PY -0.03754 0.02403 0.04145 -0.00841 -0.08186 149 3PZ -0.00729 -0.05535 -0.03219 -0.04924 -0.02234 150 4XX -0.00011 0.00296 0.00359 0.00422 0.00069 151 4YY -0.00240 0.00041 0.00269 0.00110 -0.00732 152 4ZZ -0.00105 -0.00402 0.00274 -0.00165 -0.00196 153 4XY 0.00216 -0.00302 -0.00611 -0.00029 -0.00006 154 4XZ -0.00039 0.00122 0.00119 -0.00038 -0.00026 155 4YZ -0.00153 0.00079 0.00423 0.00014 0.00025 156 20 O 1S -0.00817 0.02660 -0.00952 -0.02436 0.03492 157 2S 0.01260 -0.06256 0.03254 0.05495 -0.08914 158 2PX 0.11975 -0.16221 0.10592 0.18094 0.03541 159 2PY -0.05513 0.08197 -0.03444 -0.07953 -0.06759 160 2PZ -0.07486 0.18837 -0.07733 -0.08637 -0.08964 161 3S -0.01458 -0.03692 -0.02900 0.05863 -0.13469 162 3PX 0.05739 -0.09468 0.05561 0.08462 0.00258 163 3PY -0.04411 0.05063 -0.03048 -0.06483 -0.05256 164 3PZ -0.03657 0.09281 -0.04357 -0.06404 -0.05652 165 4XX 0.00397 0.00732 0.00643 0.00497 0.00520 166 4YY 0.00121 -0.00361 0.00068 0.00434 0.00233 167 4ZZ 0.00154 -0.00647 0.00547 -0.00850 0.00370 168 4XY -0.00848 0.00830 0.00376 -0.00941 -0.00425 169 4XZ -0.00877 0.00427 -0.00366 -0.00104 -0.00578 170 4YZ 0.00613 -0.01220 -0.00314 0.00307 0.00522 171 21 C 1S 0.00638 -0.01152 -0.00990 0.00088 0.00659 172 2S -0.01754 0.03151 0.03286 0.00093 -0.00918 173 2PX -0.03068 0.02354 0.02100 -0.02323 -0.04600 174 2PY -0.00786 0.03051 -0.02358 -0.03727 0.01696 175 2PZ 0.01914 -0.02701 -0.00821 -0.00103 0.03497 176 3S -0.01295 0.04935 0.04940 -0.00080 0.00519 177 3PX -0.01965 -0.00272 0.01598 -0.03445 -0.02794 178 3PY -0.00741 0.03168 -0.00309 -0.02777 0.00489 179 3PZ 0.00942 -0.01388 -0.00427 -0.00635 0.00687 180 4XX 0.00210 -0.00733 0.00190 0.00471 -0.00284 181 4YY -0.00472 0.00926 -0.00494 -0.00647 -0.00306 182 4ZZ 0.00371 -0.00745 0.00112 0.00216 0.00512 183 4XY 0.00166 -0.00086 -0.00201 0.00227 0.00068 184 4XZ -0.00197 0.00588 0.00055 -0.00268 -0.00163 185 4YZ -0.00056 0.00624 0.00076 0.00037 -0.00114 186 22 H 1S 0.01540 -0.02377 0.00702 0.01456 0.03113 187 2S 0.01494 -0.04143 -0.00542 0.01429 0.02963 188 23 H 1S 0.00251 -0.00526 0.00494 0.00591 -0.00401 189 2S -0.00188 -0.03558 -0.00677 -0.02528 -0.02482 86 87 88 89 90 86 3PX 0.12473 87 3PY 0.03309 0.05430 88 3PZ 0.06146 0.02262 0.08174 89 4XX -0.00247 0.00219 0.00351 0.00257 90 4YY -0.00008 -0.00157 -0.00049 -0.00066 0.00122 91 4ZZ 0.00043 0.00161 -0.00234 -0.00051 -0.00036 92 4XY -0.00129 -0.00261 -0.00470 -0.00076 0.00008 93 4XZ 0.00042 -0.00122 0.00012 -0.00029 0.00086 94 4YZ -0.00582 -0.00152 0.00033 0.00050 -0.00004 95 9 H 1S -0.01587 0.00394 -0.00445 0.00013 0.00115 96 2S -0.01980 0.00221 -0.00895 -0.00085 0.00170 97 10 H 1S -0.00227 -0.00882 -0.00334 -0.00027 0.00011 98 2S 0.00329 -0.00983 0.00171 0.00021 0.00003 99 11 C 1S 0.00620 0.00413 0.00045 -0.00102 0.00005 100 2S -0.00786 -0.00703 -0.00999 0.00157 -0.00062 101 2PX 0.01115 0.02235 0.01893 -0.00369 0.00094 102 2PY 0.00189 -0.00382 0.00287 0.00007 -0.00025 103 2PZ 0.00121 0.01032 -0.00721 -0.00053 -0.00026 104 3S -0.01695 -0.01115 -0.01682 0.00053 0.00010 105 3PX -0.00040 0.00820 0.00773 -0.00120 -0.00021 106 3PY -0.01069 -0.00503 -0.00600 -0.00009 -0.00016 107 3PZ 0.00266 0.00539 -0.00719 -0.00164 -0.00010 108 4XX 0.00474 0.00286 0.00364 0.00008 -0.00005 109 4YY -0.00209 -0.00033 -0.00131 -0.00006 0.00005 110 4ZZ -0.00276 -0.00257 -0.00178 -0.00011 0.00000 111 4XY 0.00007 0.00068 0.00051 -0.00012 0.00001 112 4XZ 0.00061 0.00055 0.00031 -0.00013 0.00004 113 4YZ -0.00028 0.00030 -0.00062 -0.00010 0.00003 114 12 H 1S -0.00988 -0.01592 -0.00562 0.00064 -0.00016 115 2S -0.00873 -0.01604 -0.00796 -0.00125 0.00008 116 13 H 1S 0.01504 0.01742 0.01523 -0.00108 0.00009 117 2S 0.03712 0.02692 0.03099 -0.00019 0.00024 118 14 C 1S 0.00658 0.00087 0.00573 -0.00012 0.00005 119 2S -0.01730 -0.00301 -0.00704 0.00019 0.00008 120 2PX 0.01932 -0.00355 0.00955 -0.00068 0.00046 121 2PY -0.00217 0.00163 -0.00872 0.00028 0.00026 122 2PZ -0.01183 -0.00358 -0.00538 -0.00014 0.00027 123 3S -0.04974 -0.01820 -0.03324 -0.00132 -0.00051 124 3PX 0.00345 -0.00168 0.00066 -0.00064 0.00060 125 3PY 0.00337 0.00512 -0.00081 0.00024 0.00012 126 3PZ -0.01093 -0.00281 -0.00580 -0.00021 -0.00002 127 4XX 0.00100 -0.00021 0.00097 -0.00006 0.00007 128 4YY -0.00067 -0.00047 -0.00066 0.00003 -0.00001 129 4ZZ 0.00017 0.00081 -0.00019 -0.00002 -0.00004 130 4XY -0.00054 0.00060 0.00011 -0.00007 0.00001 131 4XZ 0.00122 0.00003 0.00086 -0.00001 0.00003 132 4YZ 0.00033 0.00057 0.00004 0.00002 -0.00003 133 15 H 1S 0.00101 0.00437 0.00150 0.00022 -0.00038 134 2S 0.01119 0.01101 0.00609 0.00037 -0.00044 135 16 H 1S 0.00533 -0.00560 0.00481 -0.00021 0.00033 136 2S 0.02228 -0.00153 0.01616 0.00068 0.00028 137 17 H 1S 0.02269 0.03641 -0.06120 -0.00934 -0.00166 138 2S -0.00485 0.02193 -0.05495 -0.00724 -0.00147 139 18 H 1S -0.00642 0.02494 -0.00021 0.00263 0.00051 140 2S -0.00799 0.02647 -0.00149 0.00349 -0.00296 141 19 O 1S 0.00010 0.00839 -0.00190 0.00001 -0.00112 142 2S -0.00143 -0.01356 0.00722 0.00037 0.00166 143 2PX -0.06130 0.00425 -0.00346 -0.00316 0.00309 144 2PY -0.02257 0.07207 0.02407 -0.00010 0.00537 145 2PZ -0.06053 -0.04180 -0.03842 -0.00257 -0.00238 146 3S 0.00886 -0.03795 -0.00347 -0.00164 0.00285 147 3PX -0.05162 -0.00043 -0.01115 -0.00260 0.00146 148 3PY -0.00997 0.05021 0.01959 -0.00019 0.00403 149 3PZ -0.05506 -0.03130 -0.03403 -0.00153 -0.00135 150 4XX 0.00177 0.00133 0.00260 -0.00003 0.00007 151 4YY -0.00045 0.00374 0.00171 0.00023 0.00005 152 4ZZ -0.00144 0.00125 -0.00161 0.00020 -0.00008 153 4XY -0.00314 -0.00169 -0.00009 -0.00042 0.00039 154 4XZ 0.00114 -0.00043 -0.00069 0.00002 -0.00029 155 4YZ 0.00006 -0.00031 -0.00022 0.00011 -0.00036 156 20 O 1S -0.00476 -0.01020 0.00953 -0.00322 0.00182 157 2S 0.01373 0.02120 -0.02437 0.00839 -0.00409 158 2PX -0.03147 0.01151 0.03241 -0.00944 -0.00918 159 2PY -0.02145 0.04808 -0.00628 -0.01046 0.01653 160 2PZ 0.07252 -0.03328 -0.03092 -0.02940 0.00565 161 3S 0.02485 0.01206 -0.02986 0.00468 -0.00025 162 3PX -0.02167 -0.00067 0.00691 -0.00783 -0.00558 163 3PY -0.01953 0.02863 -0.00930 -0.00632 0.01096 164 3PZ 0.03126 -0.02423 -0.02964 -0.02040 0.00316 165 4XX 0.00493 0.00303 0.00340 -0.00032 -0.00004 166 4YY 0.00108 -0.00265 0.00113 0.00061 -0.00085 167 4ZZ -0.00568 0.00102 -0.00309 0.00039 0.00003 168 4XY 0.00179 0.00214 -0.00152 0.00057 0.00024 169 4XZ 0.00025 -0.00086 0.00111 0.00006 0.00022 170 4YZ -0.00470 -0.00169 -0.00029 0.00114 -0.00030 171 21 C 1S -0.00869 -0.00707 -0.00110 -0.00090 0.00096 172 2S 0.01919 0.01699 0.00906 0.00265 -0.00239 173 2PX 0.02153 0.00387 -0.00787 0.00613 -0.00374 174 2PY 0.02818 -0.02953 -0.02186 0.00294 -0.00283 175 2PZ -0.02187 0.00445 -0.00484 -0.00295 0.00195 176 3S 0.02303 0.02300 0.01583 0.00059 -0.00173 177 3PX -0.00700 -0.00175 -0.01562 0.00036 -0.00157 178 3PY 0.01051 0.00031 -0.00461 -0.00021 0.00093 179 3PZ -0.01224 -0.00257 -0.00742 -0.00345 0.00071 180 4XX -0.00316 -0.00097 0.00061 -0.00048 -0.00031 181 4YY 0.00456 -0.00140 -0.00241 0.00034 0.00017 182 4ZZ -0.00388 0.00126 0.00065 0.00021 0.00013 183 4XY 0.00386 -0.00347 -0.00208 0.00027 -0.00068 184 4XZ 0.00126 -0.00087 -0.00070 -0.00104 0.00015 185 4YZ 0.00306 0.00150 0.00113 -0.00104 0.00032 186 22 H 1S -0.01290 0.01181 0.00640 0.00094 0.00056 187 2S -0.01985 0.00734 0.00350 0.00366 0.00073 188 23 H 1S -0.00738 -0.00321 0.00178 -0.00398 -0.00002 189 2S -0.03243 -0.01792 -0.02142 -0.00782 0.00013 91 92 93 94 95 91 4ZZ 0.00177 92 4XY 0.00055 0.00157 93 4XZ -0.00049 0.00038 0.00159 94 4YZ 0.00000 -0.00056 -0.00008 0.00181 95 9 H 1S -0.00051 0.00130 0.00029 0.00132 0.21689 96 2S -0.00047 0.00010 -0.00036 0.00092 0.17480 97 10 H 1S -0.00015 0.00109 0.00042 0.00054 0.00167 98 2S -0.00073 0.00139 0.00109 0.00106 -0.00097 99 11 C 1S -0.00016 -0.00019 0.00002 -0.00076 0.01192 100 2S -0.00010 0.00037 -0.00007 0.00131 -0.02350 101 2PX 0.00063 -0.00065 -0.00012 -0.00182 0.02591 102 2PY -0.00044 -0.00021 -0.00013 -0.00009 -0.03151 103 2PZ 0.00031 0.00053 0.00085 -0.00048 -0.02255 104 3S 0.00097 0.00252 0.00241 0.00406 -0.07034 105 3PX 0.00054 -0.00016 -0.00067 -0.00018 0.02243 106 3PY 0.00021 -0.00030 -0.00049 0.00080 -0.00897 107 3PZ 0.00151 0.00096 -0.00008 -0.00020 -0.01991 108 4XX -0.00012 0.00002 0.00026 -0.00012 -0.00107 109 4YY 0.00008 0.00005 -0.00009 0.00007 0.00654 110 4ZZ 0.00012 -0.00006 -0.00026 0.00005 -0.00226 111 4XY 0.00004 -0.00003 -0.00001 -0.00007 -0.00353 112 4XZ 0.00001 -0.00005 -0.00010 -0.00011 0.00070 113 4YZ 0.00002 0.00003 -0.00002 -0.00001 0.00328 114 12 H 1S 0.00013 -0.00028 -0.00112 0.00061 -0.01313 115 2S 0.00120 -0.00041 -0.00224 -0.00075 -0.01111 116 13 H 1S -0.00012 -0.00011 0.00077 -0.00087 -0.00866 117 2S -0.00138 -0.00081 0.00156 -0.00221 -0.00561 118 14 C 1S -0.00043 -0.00017 0.00013 -0.00020 -0.00735 119 2S 0.00076 0.00072 -0.00013 0.00039 0.01455 120 2PX -0.00081 -0.00117 -0.00001 -0.00086 -0.00328 121 2PY 0.00015 -0.00033 -0.00030 0.00029 0.03619 122 2PZ 0.00080 -0.00008 0.00001 0.00017 0.00280 123 3S 0.00260 0.00093 -0.00191 0.00113 0.04866 124 3PX -0.00021 -0.00002 0.00029 -0.00053 0.00061 125 3PY -0.00006 -0.00104 -0.00101 -0.00020 0.03681 126 3PZ 0.00076 -0.00008 -0.00045 0.00033 0.00266 127 4XX -0.00007 -0.00035 -0.00009 -0.00034 -0.00016 128 4YY 0.00001 0.00013 0.00005 0.00013 -0.00012 129 4ZZ 0.00003 0.00023 0.00006 0.00018 -0.00079 130 4XY 0.00004 0.00004 0.00000 -0.00001 0.00162 131 4XZ -0.00007 -0.00002 0.00002 -0.00001 -0.00031 132 4YZ -0.00001 -0.00005 0.00000 -0.00007 -0.00123 133 15 H 1S -0.00001 0.00092 0.00021 0.00054 -0.00710 134 2S -0.00021 0.00096 0.00034 0.00087 -0.01348 135 16 H 1S -0.00032 -0.00128 -0.00034 -0.00108 -0.00553 136 2S -0.00144 -0.00305 -0.00062 -0.00220 -0.01238 137 17 H 1S 0.00675 0.00634 -0.00355 -0.01346 -0.00756 138 2S 0.00844 0.00604 -0.00266 -0.01024 -0.00284 139 18 H 1S 0.00229 -0.00243 -0.00114 0.00701 -0.00200 140 2S 0.00487 -0.00041 -0.00217 0.00665 -0.00474 141 19 O 1S -0.00027 -0.00006 -0.00024 0.00031 0.00034 142 2S 0.00067 -0.00010 0.00049 -0.00054 -0.00088 143 2PX 0.00288 0.00582 0.00024 -0.00542 -0.00065 144 2PY -0.00049 0.00300 0.00140 -0.00364 -0.00349 145 2PZ 0.00310 -0.00420 -0.00091 0.00347 0.00569 146 3S -0.00035 -0.00067 0.00291 -0.00097 -0.00296 147 3PX 0.00278 0.00413 0.00006 -0.00252 -0.00011 148 3PY -0.00066 0.00134 0.00124 -0.00270 -0.00390 149 3PZ 0.00229 -0.00166 -0.00035 0.00313 0.00487 150 4XX -0.00004 -0.00054 -0.00008 -0.00008 -0.00010 151 4YY -0.00002 0.00036 -0.00014 -0.00034 0.00003 152 4ZZ 0.00005 0.00011 0.00004 0.00041 0.00005 153 4XY -0.00016 0.00033 0.00011 -0.00019 0.00015 154 4XZ 0.00022 0.00000 -0.00009 -0.00008 -0.00001 155 4YZ 0.00031 -0.00040 -0.00015 0.00004 -0.00004 156 20 O 1S -0.00090 0.00469 0.00505 -0.00413 0.00125 157 2S 0.00235 -0.01079 -0.01161 0.00922 -0.00261 158 2PX 0.01398 -0.00448 -0.02005 0.01220 -0.00526 159 2PY -0.00638 -0.01262 0.01476 0.00927 -0.00239 160 2PZ 0.02477 0.01651 0.00340 -0.00084 -0.00185 161 3S 0.00267 -0.01469 -0.00972 0.01448 -0.00517 162 3PX 0.01124 0.00028 -0.01187 0.00699 -0.00311 163 3PY -0.00436 -0.00711 0.01042 0.00564 -0.00103 164 3PZ 0.01746 0.01091 0.00065 0.00083 0.00061 165 4XX 0.00019 -0.00022 -0.00006 -0.00013 -0.00048 166 4YY 0.00032 0.00094 -0.00074 -0.00074 0.00063 167 4ZZ -0.00048 -0.00014 0.00023 -0.00017 0.00015 168 4XY -0.00030 0.00006 0.00079 -0.00053 0.00034 169 4XZ -0.00002 0.00024 0.00065 -0.00001 0.00032 170 4YZ -0.00107 -0.00033 -0.00029 0.00010 0.00055 171 21 C 1S -0.00057 -0.00137 -0.00004 0.00181 0.00010 172 2S 0.00111 0.00301 -0.00068 -0.00437 -0.00066 173 2PX 0.00264 0.00532 -0.00384 -0.00547 0.00114 174 2PY 0.00156 0.00802 0.00057 -0.00723 0.00164 175 2PZ -0.00165 -0.00251 0.00166 0.00160 0.00106 176 3S 0.00098 0.00263 0.00112 -0.00502 -0.00023 177 3PX 0.00328 0.00344 -0.00084 -0.00130 0.00044 178 3PY -0.00015 0.00334 0.00257 -0.00314 -0.00108 179 3PZ 0.00177 -0.00021 -0.00038 0.00124 -0.00048 180 4XX 0.00078 0.00045 -0.00076 0.00012 -0.00008 181 4YY -0.00013 -0.00018 0.00039 -0.00003 0.00007 182 4ZZ -0.00067 -0.00033 0.00018 0.00020 0.00010 183 4XY 0.00053 0.00051 -0.00063 -0.00023 0.00008 184 4XZ 0.00079 0.00003 0.00020 0.00020 -0.00028 185 4YZ 0.00065 0.00033 0.00006 0.00012 -0.00034 186 22 H 1S -0.00334 -0.00174 0.00116 -0.00005 0.00047 187 2S -0.00572 -0.00256 0.00167 0.00088 0.00051 188 23 H 1S 0.00291 0.00086 -0.00022 0.00136 -0.00109 189 2S 0.00705 0.00259 -0.00116 0.00381 -0.00069 96 97 98 99 100 96 2S 0.16312 97 10 H 1S -0.00097 0.21689 98 2S -0.00327 0.17480 0.16312 99 11 C 1S 0.01495 -0.00735 -0.00920 2.05093 100 2S -0.02651 0.01455 0.01851 -0.05356 0.30675 101 2PX 0.05281 -0.00327 -0.01492 -0.00216 0.00247 102 2PY -0.05871 -0.03619 -0.05935 -0.00197 0.00049 103 2PZ -0.04427 0.00279 0.01379 0.00106 -0.00015 104 3S -0.07135 0.04866 0.05328 -0.18822 0.28345 105 3PX 0.03188 0.00062 -0.00389 0.00084 0.00408 106 3PY -0.01736 -0.03681 -0.04916 0.00045 0.00297 107 3PZ -0.02753 0.00266 0.00733 0.00065 -0.00479 108 4XX -0.00228 -0.00016 0.00001 -0.01716 -0.00165 109 4YY 0.00714 -0.00012 0.00025 -0.01550 -0.00526 110 4ZZ -0.00258 -0.00078 -0.00199 -0.01720 -0.00155 111 4XY -0.00143 -0.00162 -0.00254 -0.00095 0.00184 112 4XZ 0.00284 -0.00031 -0.00110 -0.00087 0.00221 113 4YZ 0.00149 0.00123 0.00178 0.00108 -0.00202 114 12 H 1S -0.00817 -0.00710 -0.01833 -0.05232 0.10153 115 2S -0.00323 -0.01348 -0.02633 -0.00563 0.02059 116 13 H 1S -0.00364 -0.00554 -0.01301 -0.05287 0.10266 117 2S -0.00187 -0.01239 -0.01781 -0.00681 0.02188 118 14 C 1S -0.00920 0.01192 0.01495 0.01005 -0.01959 119 2S 0.01851 -0.02350 -0.02651 -0.01959 0.03093 120 2PX -0.01493 0.02590 0.05280 0.00334 -0.00749 121 2PY 0.05934 0.03152 0.05873 -0.06220 0.12851 122 2PZ 0.01380 -0.02254 -0.04426 -0.00195 0.00418 123 3S 0.05329 -0.07034 -0.07135 0.00743 0.01043 124 3PX -0.00391 0.02243 0.03188 0.00123 -0.00547 125 3PY 0.04916 0.00898 0.01737 -0.01339 0.04076 126 3PZ 0.00734 -0.01991 -0.02752 -0.00141 0.00469 127 4XX 0.00001 -0.00107 -0.00228 0.00213 -0.00499 128 4YY 0.00026 0.00654 0.00714 -0.00691 0.01194 129 4ZZ -0.00199 -0.00226 -0.00258 0.00191 -0.00471 130 4XY 0.00254 0.00353 0.00143 -0.00027 0.00034 131 4XZ -0.00109 0.00070 0.00284 0.00003 -0.00021 132 4YZ -0.00178 -0.00328 -0.00149 0.00016 -0.00014 133 15 H 1S -0.01833 -0.01313 -0.00818 0.00750 -0.01927 134 2S -0.02634 -0.01112 -0.00323 0.00827 -0.01896 135 16 H 1S -0.01301 -0.00866 -0.00363 0.00849 -0.02092 136 2S -0.01781 -0.00561 -0.00187 0.01082 -0.02314 137 17 H 1S -0.00513 -0.00200 -0.00900 0.00421 -0.00921 138 2S 0.00157 -0.00474 -0.01453 0.00015 -0.00447 139 18 H 1S -0.00900 -0.00755 -0.00513 -0.00055 0.00176 140 2S -0.01453 -0.00284 0.00157 -0.00210 0.00548 141 19 O 1S 0.00124 0.00125 -0.00309 0.00015 0.00042 142 2S -0.00302 -0.00261 0.00678 -0.00021 -0.00070 143 2PX -0.00815 -0.00526 -0.00002 -0.00393 0.00729 144 2PY -0.00103 0.00239 -0.01304 -0.00083 -0.00074 145 2PZ -0.00002 -0.00184 0.00161 -0.00361 0.00760 146 3S -0.00582 -0.00516 0.01142 -0.00062 -0.00499 147 3PX -0.00565 -0.00310 0.00016 -0.00366 0.00589 148 3PY -0.00233 0.00103 -0.00824 -0.00033 -0.00159 149 3PZ -0.00050 0.00062 0.00427 -0.00369 0.00831 150 4XX 0.00025 -0.00048 -0.00078 0.00027 -0.00037 151 4YY -0.00002 0.00063 -0.00041 0.00008 0.00010 152 4ZZ -0.00007 0.00014 0.00015 -0.00004 0.00041 153 4XY 0.00003 -0.00034 -0.00006 -0.00015 0.00024 154 4XZ 0.00015 0.00031 -0.00008 0.00001 0.00003 155 4YZ -0.00035 -0.00055 -0.00024 0.00000 0.00006 156 20 O 1S -0.00309 0.00034 0.00124 0.00044 -0.00157 157 2S 0.00678 -0.00088 -0.00302 -0.00137 0.00300 158 2PX -0.00002 -0.00065 -0.00815 -0.00296 0.01008 159 2PY 0.01305 0.00349 0.00103 -0.00165 -0.00188 160 2PZ 0.00161 0.00569 -0.00003 0.00003 -0.00152 161 3S 0.01143 -0.00296 -0.00582 -0.00055 0.01055 162 3PX 0.00016 -0.00011 -0.00565 -0.00206 0.00959 163 3PY 0.00825 0.00390 0.00233 -0.00172 -0.00105 164 3PZ 0.00427 0.00487 -0.00050 -0.00059 -0.00081 165 4XX -0.00078 -0.00010 0.00025 0.00012 -0.00090 166 4YY -0.00041 0.00003 -0.00002 -0.00010 -0.00042 167 4ZZ 0.00015 0.00005 -0.00007 -0.00034 -0.00011 168 4XY 0.00006 -0.00015 -0.00003 0.00009 -0.00065 169 4XZ -0.00008 -0.00001 0.00015 -0.00013 -0.00010 170 4YZ 0.00024 0.00004 0.00035 -0.00005 0.00045 171 21 C 1S 0.00086 0.00010 0.00086 -0.00054 0.00085 172 2S -0.00313 -0.00067 -0.00313 0.00146 -0.00316 173 2PX -0.00343 0.00114 -0.00343 0.00150 -0.00258 174 2PY -0.00631 -0.00163 0.00631 0.00098 -0.00132 175 2PZ 0.00331 0.00106 0.00331 -0.00051 0.00143 176 3S -0.00303 -0.00023 -0.00302 0.00214 -0.00369 177 3PX -0.00209 0.00044 -0.00209 -0.00085 0.00243 178 3PY -0.00436 0.00108 0.00436 0.00014 -0.00061 179 3PZ 0.00068 -0.00048 0.00068 -0.00081 0.00134 180 4XX -0.00033 -0.00008 -0.00033 -0.00030 0.00069 181 4YY 0.00029 0.00007 0.00029 0.00022 -0.00059 182 4ZZ 0.00030 0.00010 0.00030 -0.00011 0.00020 183 4XY -0.00018 -0.00008 0.00018 0.00013 0.00007 184 4XZ -0.00021 -0.00028 -0.00021 -0.00006 0.00001 185 4YZ 0.00030 0.00034 -0.00030 0.00009 -0.00026 186 22 H 1S 0.00154 0.00047 0.00154 0.00011 0.00011 187 2S 0.00165 0.00051 0.00165 -0.00052 0.00168 188 23 H 1S -0.00100 -0.00109 -0.00100 -0.00114 0.00218 189 2S -0.00061 -0.00069 -0.00061 -0.00345 0.00717 101 102 103 104 105 101 2PX 0.39946 102 2PY 0.00273 0.38112 103 2PZ 0.00826 -0.00398 0.40015 104 3S -0.02739 -0.00450 0.02951 0.31662 105 3PX 0.18488 0.00135 -0.00023 -0.01343 0.08894 106 3PY 0.00883 0.17478 -0.00087 -0.00454 0.00399 107 3PZ -0.00273 -0.00166 0.17903 0.01442 -0.00470 108 4XX 0.01424 0.00838 0.01103 0.00061 0.00654 109 4YY -0.00118 -0.01525 0.00027 -0.00513 -0.00060 110 4ZZ -0.00941 0.01006 -0.01440 -0.00144 -0.00411 111 4XY 0.01373 0.00048 0.00100 0.00145 0.00648 112 4XZ 0.01148 0.00052 -0.00894 0.00055 0.00512 113 4YZ 0.00121 -0.00053 0.01458 -0.00172 0.00046 114 12 H 1S -0.05700 0.09046 -0.24608 0.07881 -0.02312 115 2S -0.05730 0.07747 -0.22659 -0.00345 -0.02449 116 13 H 1S 0.24468 0.08051 0.06953 0.08698 0.11387 117 2S 0.21796 0.06589 0.06411 0.00976 0.09997 118 14 C 1S 0.00332 0.06220 -0.00194 0.00743 0.00123 119 2S -0.00745 -0.12851 0.00416 0.01044 -0.00546 120 2PX 0.00232 0.00264 -0.00518 -0.00701 -0.00955 121 2PY -0.00256 -0.31517 -0.00037 0.12405 0.00032 122 2PZ -0.00518 0.00032 0.00448 0.00174 0.00000 123 3S -0.00697 -0.12405 0.00171 -0.02347 -0.00318 124 3PX -0.00955 -0.00028 0.00001 -0.00318 -0.00936 125 3PY 0.01500 -0.14739 -0.00995 0.02728 0.00758 126 3PZ 0.00256 0.00426 -0.00656 0.00286 0.00269 127 4XX -0.00014 0.00739 -0.00084 -0.00733 -0.00053 128 4YY 0.00050 -0.00832 -0.00006 0.01334 0.00060 129 4ZZ 0.00083 0.00779 -0.00005 -0.00345 0.00042 130 4XY 0.01106 -0.00012 0.00061 0.00012 0.00558 131 4XZ -0.00040 -0.00087 0.00033 0.00019 -0.00054 132 4YZ 0.00058 -0.00014 0.01102 -0.00030 0.00002 133 15 H 1S 0.00768 0.02963 0.02138 -0.02029 0.00205 134 2S 0.02006 0.05420 0.03578 -0.01040 0.00786 135 16 H 1S -0.02234 0.02680 -0.00813 -0.03329 -0.01771 136 2S -0.03250 0.05105 -0.01878 -0.03856 -0.02212 137 17 H 1S 0.01301 -0.00258 0.00493 -0.02192 0.00374 138 2S -0.00105 0.00322 -0.01332 -0.01601 -0.00226 139 18 H 1S -0.00018 0.00125 0.00333 0.00836 0.00247 140 2S -0.00032 0.00297 0.01127 0.02173 0.00375 141 19 O 1S -0.00037 0.00041 -0.00059 -0.00489 0.00123 142 2S 0.00066 -0.00025 0.00108 0.01225 -0.00373 143 2PX -0.00858 -0.00459 0.00520 0.03591 -0.00294 144 2PY -0.00008 -0.00242 0.00214 0.01185 -0.00707 145 2PZ -0.00808 -0.00167 0.00525 0.03075 0.00084 146 3S 0.00698 -0.00506 0.00339 0.01358 -0.00142 147 3PX -0.00780 -0.00547 0.00518 0.02874 -0.00212 148 3PY 0.00074 -0.00191 0.00125 0.00689 -0.00480 149 3PZ -0.00906 -0.00125 0.00448 0.03049 -0.00030 150 4XX 0.00026 0.00051 -0.00048 -0.00159 -0.00004 151 4YY -0.00004 0.00005 -0.00014 0.00021 -0.00025 152 4ZZ -0.00041 0.00037 0.00005 0.00074 0.00005 153 4XY -0.00029 -0.00001 0.00011 0.00152 -0.00009 154 4XZ 0.00002 0.00013 0.00009 -0.00053 0.00008 155 4YZ 0.00011 0.00004 0.00009 0.00006 0.00024 156 20 O 1S 0.00371 -0.00109 0.00111 -0.00155 0.00042 157 2S -0.00679 0.00234 -0.00124 -0.00300 0.00191 158 2PX -0.01532 0.00093 -0.00048 0.01344 0.00447 159 2PY -0.00018 0.00206 0.00205 0.03549 -0.01304 160 2PZ -0.00340 -0.00211 0.00841 0.03276 -0.00615 161 3S -0.02856 0.00687 -0.01185 0.01109 -0.01174 162 3PX -0.01531 -0.00032 -0.00167 0.01576 -0.00004 163 3PY 0.00127 0.00053 0.00237 0.02545 -0.00761 164 3PZ -0.00060 -0.00217 0.00829 0.02361 -0.00191 165 4XX 0.00191 -0.00015 0.00081 -0.00072 0.00083 166 4YY 0.00058 -0.00020 0.00036 -0.00274 0.00091 167 4ZZ 0.00008 0.00015 0.00070 -0.00033 0.00005 168 4XY 0.00087 -0.00031 0.00007 -0.00088 -0.00015 169 4XZ 0.00037 -0.00003 0.00006 0.00093 -0.00011 170 4YZ -0.00045 0.00006 -0.00042 -0.00078 0.00027 171 21 C 1S -0.00145 0.00079 0.00008 0.00408 -0.00122 172 2S 0.00494 -0.00162 -0.00042 -0.01164 0.00217 173 2PX 0.00379 -0.00213 0.00053 -0.01698 0.00153 174 2PY 0.00601 -0.00249 0.00262 -0.00750 0.00584 175 2PZ -0.00241 0.00040 -0.00197 0.00015 -0.00060 176 3S 0.00726 -0.00446 -0.00090 -0.01289 0.00265 177 3PX -0.00254 -0.00088 0.00502 0.00460 -0.00042 178 3PY 0.00593 -0.00186 0.00317 0.00563 0.00172 179 3PZ -0.00148 0.00002 0.00105 0.00581 0.00013 180 4XX -0.00092 -0.00011 0.00026 0.00219 0.00009 181 4YY 0.00083 0.00006 -0.00003 -0.00108 -0.00010 182 4ZZ -0.00015 0.00007 -0.00029 -0.00025 0.00010 183 4XY -0.00021 0.00007 -0.00022 -0.00194 0.00061 184 4XZ -0.00004 0.00004 0.00048 0.00198 -0.00010 185 4YZ -0.00002 0.00008 0.00009 0.00025 -0.00042 186 22 H 1S 0.00003 0.00019 -0.00255 -0.00593 0.00051 187 2S -0.00245 0.00261 -0.00161 -0.00471 -0.00073 188 23 H 1S -0.00313 -0.00017 0.00208 0.01395 -0.00034 189 2S -0.01062 0.00033 0.00672 0.03205 -0.00214 106 107 108 109 110 106 3PY 0.08740 107 3PZ -0.00054 0.08364 108 4XX 0.00340 0.00441 0.00161 109 4YY -0.00599 0.00025 -0.00038 0.00123 110 4ZZ 0.00421 -0.00604 -0.00066 -0.00029 0.00156 111 4XY 0.00089 0.00022 0.00053 -0.00020 -0.00031 112 4XZ 0.00077 -0.00403 0.00012 -0.00003 -0.00001 113 4YZ -0.00034 0.00671 0.00036 0.00016 -0.00052 114 12 H 1S 0.04112 -0.11025 -0.00782 -0.00511 0.01314 115 2S 0.03435 -0.09887 -0.00873 -0.00337 0.01364 116 13 H 1S 0.04156 0.02494 0.01312 -0.00578 -0.00705 117 2S 0.03171 0.02282 0.01314 -0.00444 -0.00742 118 14 C 1S 0.01339 -0.00141 0.00213 -0.00691 0.00191 119 2S -0.04076 0.00468 -0.00499 0.01194 -0.00471 120 2PX -0.01497 0.00256 -0.00014 0.00050 0.00084 121 2PY -0.14740 -0.00428 -0.00739 0.00832 -0.00779 122 2PZ 0.00992 -0.00656 -0.00084 -0.00005 -0.00006 123 3S -0.02728 0.00286 -0.00733 0.01334 -0.00345 124 3PX -0.00757 0.00269 -0.00053 0.00060 0.00042 125 3PY -0.06679 -0.00691 -0.00364 0.00464 -0.00364 126 3PZ 0.00690 -0.00628 -0.00072 -0.00028 0.00062 127 4XX 0.00364 -0.00072 0.00003 -0.00009 0.00031 128 4YY -0.00464 -0.00028 -0.00009 -0.00007 -0.00023 129 4ZZ 0.00364 0.00062 0.00031 -0.00023 0.00014 130 4XY 0.00026 -0.00008 0.00041 -0.00008 -0.00029 131 4XZ -0.00122 0.00054 0.00002 0.00008 -0.00004 132 4YZ 0.00018 0.00516 0.00030 0.00007 -0.00041 133 15 H 1S 0.01691 0.01669 0.00167 0.00190 -0.00097 134 2S 0.02234 0.02286 0.00396 -0.00144 -0.00102 135 16 H 1S 0.01206 -0.00087 -0.00159 0.00270 0.00160 136 2S 0.01847 -0.00801 -0.00110 -0.00044 0.00324 137 17 H 1S -0.00556 0.01039 -0.00003 0.00008 0.00030 138 2S 0.00098 0.00217 -0.00259 0.00051 0.00254 139 18 H 1S 0.00017 0.00378 0.00117 -0.00054 -0.00040 140 2S 0.00075 0.00921 0.00199 -0.00065 -0.00129 141 19 O 1S 0.00170 -0.00039 -0.00012 0.00003 0.00011 142 2S -0.00436 0.00091 0.00034 -0.00012 -0.00034 143 2PX -0.00522 0.00687 -0.00105 0.00047 0.00047 144 2PY -0.00814 0.00425 0.00003 -0.00019 -0.00049 145 2PZ 0.00401 0.00184 -0.00118 0.00025 0.00073 146 3S -0.00753 0.00147 0.00070 -0.00016 -0.00058 147 3PX -0.00357 0.00617 -0.00108 0.00051 0.00048 148 3PY -0.00664 0.00280 0.00013 -0.00027 -0.00030 149 3PZ 0.00307 0.00230 -0.00099 0.00025 0.00052 150 4XX 0.00025 -0.00035 0.00000 -0.00003 0.00005 151 4YY -0.00046 0.00005 0.00003 -0.00003 -0.00003 152 4ZZ 0.00043 0.00006 0.00003 0.00000 -0.00004 153 4XY -0.00002 0.00013 -0.00007 0.00004 0.00004 154 4XZ 0.00030 0.00008 -0.00001 0.00001 0.00001 155 4YZ 0.00008 -0.00010 0.00005 -0.00003 -0.00001 156 20 O 1S -0.00367 -0.00071 0.00051 -0.00008 -0.00048 157 2S 0.00817 0.00097 -0.00101 0.00029 0.00113 158 2PX 0.01166 0.01572 -0.00387 0.00161 0.00363 159 2PY 0.00111 0.00289 -0.00036 -0.00047 -0.00057 160 2PZ 0.00408 0.03342 -0.00241 0.00108 0.00235 161 3S 0.01352 -0.00007 -0.00312 0.00022 0.00269 162 3PX 0.00814 0.01214 -0.00320 0.00123 0.00273 163 3PY 0.00040 0.00169 -0.00004 -0.00027 -0.00060 164 3PZ 0.00476 0.02473 -0.00227 0.00116 0.00196 165 4XX -0.00053 0.00058 0.00032 -0.00008 -0.00019 166 4YY -0.00032 -0.00001 0.00003 0.00004 0.00003 167 4ZZ 0.00009 -0.00031 -0.00004 0.00002 -0.00001 168 4XY -0.00069 -0.00047 0.00017 -0.00006 -0.00016 169 4XZ -0.00013 -0.00010 0.00010 -0.00002 -0.00010 170 4YZ 0.00010 -0.00133 0.00000 0.00001 -0.00003 171 21 C 1S 0.00091 0.00031 -0.00031 0.00000 0.00011 172 2S -0.00357 -0.00058 0.00073 -0.00023 -0.00036 173 2PX -0.00550 -0.00192 0.00097 -0.00021 -0.00065 174 2PY -0.00294 0.00001 0.00137 -0.00013 -0.00087 175 2PZ 0.00067 -0.00484 -0.00043 0.00010 0.00016 176 3S -0.00542 -0.00071 0.00106 -0.00024 -0.00076 177 3PX 0.00044 0.00326 0.00011 0.00020 -0.00032 178 3PY -0.00378 0.00148 0.00128 -0.00032 -0.00110 179 3PZ 0.00114 0.00192 -0.00064 0.00019 0.00051 180 4XX 0.00032 0.00111 -0.00020 0.00009 0.00017 181 4YY -0.00016 -0.00035 0.00015 -0.00006 -0.00011 182 4ZZ 0.00011 -0.00077 -0.00003 0.00001 -0.00001 183 4XY 0.00048 0.00010 -0.00004 0.00004 0.00009 184 4XZ 0.00035 0.00125 -0.00006 0.00001 0.00008 185 4YZ 0.00011 0.00107 -0.00010 0.00003 0.00009 186 22 H 1S -0.00053 -0.00587 0.00010 -0.00005 -0.00019 187 2S 0.00162 -0.00809 0.00038 -0.00008 -0.00058 188 23 H 1S 0.00267 0.00684 -0.00083 0.00030 0.00070 189 2S 0.00669 0.01308 -0.00196 0.00080 0.00139 111 112 113 114 115 111 4XY 0.00089 112 4XZ 0.00040 0.00065 113 4YZ -0.00001 -0.00032 0.00095 114 12 H 1S -0.00170 0.00471 -0.01047 0.21677 115 2S -0.00232 0.00364 -0.00946 0.17930 0.17241 116 13 H 1S 0.00990 0.00626 0.00220 -0.02461 -0.05553 117 2S 0.00889 0.00503 0.00252 -0.05111 -0.06291 118 14 C 1S 0.00028 0.00003 -0.00016 0.00750 0.00827 119 2S -0.00034 -0.00021 0.00014 -0.01927 -0.01896 120 2PX -0.01106 -0.00040 -0.00058 0.00769 0.02008 121 2PY -0.00012 0.00087 -0.00013 -0.02963 -0.05420 122 2PZ -0.00061 0.00033 -0.01102 0.02138 0.03577 123 3S -0.00013 0.00019 0.00030 -0.02029 -0.01039 124 3PX -0.00558 -0.00055 -0.00002 0.00206 0.00787 125 3PY 0.00025 0.00122 0.00018 -0.01691 -0.02235 126 3PZ 0.00008 0.00054 -0.00516 0.01669 0.02286 127 4XX -0.00041 0.00002 -0.00030 0.00168 0.00396 128 4YY 0.00008 0.00008 -0.00007 0.00191 -0.00144 129 4ZZ 0.00029 -0.00004 0.00041 -0.00098 -0.00103 130 4XY 0.00073 0.00033 0.00011 -0.00208 -0.00259 131 4XZ -0.00033 -0.00005 0.00025 -0.00076 -0.00070 132 4YZ 0.00011 -0.00025 0.00079 -0.00760 -0.00746 133 15 H 1S 0.00208 -0.00076 0.00760 -0.02802 -0.03301 134 2S 0.00259 -0.00070 0.00746 -0.03300 -0.03951 135 16 H 1S -0.00756 -0.00077 -0.00233 0.01642 0.03289 136 2S -0.00705 -0.00066 -0.00265 0.02854 0.04384 137 17 H 1S 0.00049 0.00093 0.00025 -0.00266 0.01259 138 2S -0.00004 0.00077 -0.00041 0.01601 0.03128 139 18 H 1S -0.00033 -0.00018 -0.00017 -0.00222 -0.00346 140 2S 0.00003 -0.00048 0.00043 -0.00824 -0.01426 141 19 O 1S -0.00017 0.00006 -0.00003 0.00093 0.00141 142 2S 0.00034 -0.00013 -0.00002 -0.00183 -0.00309 143 2PX 0.00025 -0.00064 0.00013 0.00018 -0.00321 144 2PY 0.00005 -0.00020 -0.00009 -0.00170 -0.00048 145 2PZ -0.00016 -0.00038 0.00034 0.00091 -0.00475 146 3S 0.00126 -0.00016 0.00041 -0.00731 -0.00846 147 3PX 0.00023 -0.00058 0.00025 -0.00047 -0.00270 148 3PY 0.00013 -0.00013 -0.00005 -0.00153 -0.00017 149 3PZ -0.00030 -0.00046 0.00017 0.00141 -0.00447 150 4XX -0.00004 0.00004 -0.00003 0.00042 0.00082 151 4YY -0.00002 0.00001 -0.00003 0.00010 0.00013 152 4ZZ -0.00003 -0.00002 -0.00004 0.00013 -0.00029 153 4XY 0.00002 -0.00002 0.00001 0.00007 -0.00013 154 4XZ -0.00001 0.00001 0.00001 0.00006 0.00020 155 4YZ -0.00001 0.00001 -0.00001 -0.00006 -0.00020 156 20 O 1S 0.00014 0.00004 -0.00009 -0.00258 -0.00236 157 2S -0.00024 0.00001 0.00023 0.00478 0.00442 158 2PX -0.00018 -0.00019 0.00050 0.01275 0.02355 159 2PY 0.00002 -0.00045 0.00027 -0.00189 -0.00793 160 2PZ 0.00008 -0.00013 0.00117 0.00315 0.02459 161 3S -0.00112 -0.00009 0.00005 0.01925 0.01853 162 3PX -0.00027 -0.00015 0.00031 0.01151 0.01923 163 3PY 0.00008 -0.00037 0.00016 -0.00251 -0.00761 164 3PZ 0.00018 -0.00011 0.00101 0.00138 0.01707 165 4XX 0.00006 0.00002 0.00002 -0.00134 -0.00120 166 4YY 0.00001 0.00002 0.00002 -0.00040 0.00027 167 4ZZ 0.00001 -0.00003 0.00001 -0.00038 -0.00064 168 4XY 0.00001 0.00001 -0.00002 -0.00065 -0.00086 169 4XZ 0.00001 -0.00002 -0.00002 -0.00033 -0.00069 170 4YZ -0.00002 0.00000 -0.00003 0.00017 -0.00077 171 21 C 1S 0.00001 -0.00012 0.00000 0.00065 0.00001 172 2S 0.00000 0.00023 -0.00009 -0.00191 0.00066 173 2PX 0.00000 0.00023 -0.00020 -0.00270 -0.00041 174 2PY 0.00032 0.00014 0.00001 -0.00507 -0.00585 175 2PZ -0.00004 -0.00011 -0.00009 0.00138 -0.00251 176 3S -0.00002 0.00033 -0.00014 -0.00318 -0.00051 177 3PX -0.00003 -0.00014 -0.00003 -0.00186 -0.00212 178 3PY 0.00037 0.00001 0.00000 -0.00537 -0.00796 179 3PZ 0.00001 -0.00010 0.00010 0.00103 0.00150 180 4XX 0.00000 -0.00003 0.00004 0.00052 0.00096 181 4YY 0.00001 0.00003 -0.00001 -0.00043 -0.00048 182 4ZZ -0.00001 -0.00002 -0.00002 0.00012 -0.00048 183 4XY -0.00002 0.00003 0.00001 0.00038 0.00090 184 4XZ 0.00001 -0.00001 0.00004 0.00003 0.00060 185 4YZ 0.00000 0.00001 0.00003 0.00021 0.00118 186 22 H 1S -0.00003 0.00000 -0.00018 0.00038 -0.00304 187 2S -0.00004 -0.00012 -0.00031 0.00003 -0.00685 188 23 H 1S 0.00000 -0.00015 0.00026 0.00165 0.00413 189 2S -0.00004 -0.00051 0.00047 0.00327 0.00566 116 117 118 119 120 116 13 H 1S 0.21519 117 2S 0.17214 0.15964 118 14 C 1S 0.00849 0.01082 2.05093 119 2S -0.02092 -0.02314 -0.05356 0.30675 120 2PX -0.02233 -0.03249 -0.00216 0.00247 0.39946 121 2PY -0.02680 -0.05106 0.00197 -0.00049 -0.00273 122 2PZ -0.00813 -0.01879 0.00106 -0.00015 0.00826 123 3S -0.03329 -0.03855 -0.18821 0.28344 -0.02739 124 3PX -0.01771 -0.02211 0.00084 0.00408 0.18488 125 3PY -0.01206 -0.01847 -0.00045 -0.00297 -0.00883 126 3PZ -0.00087 -0.00802 0.00065 -0.00479 -0.00274 127 4XX -0.00159 -0.00111 -0.01716 -0.00165 0.01424 128 4YY 0.00270 -0.00043 -0.01550 -0.00526 -0.00119 129 4ZZ 0.00160 0.00324 -0.01720 -0.00155 -0.00941 130 4XY 0.00756 0.00705 0.00095 -0.00184 -0.01373 131 4XZ -0.00077 -0.00066 -0.00087 0.00221 0.01148 132 4YZ 0.00233 0.00265 -0.00108 0.00202 -0.00120 133 15 H 1S 0.01642 0.02854 -0.05232 0.10153 -0.05696 134 2S 0.03288 0.04383 -0.00563 0.02059 -0.05726 135 16 H 1S -0.03097 -0.03287 -0.05287 0.10266 0.24470 136 2S -0.03287 -0.03048 -0.00681 0.02188 0.21797 137 17 H 1S 0.00330 0.00436 -0.00055 0.00176 -0.00018 138 2S -0.00996 -0.01571 -0.00210 0.00548 -0.00031 139 18 H 1S 0.00274 0.00043 0.00421 -0.00920 0.01301 140 2S 0.00830 0.00474 0.00015 -0.00447 -0.00105 141 19 O 1S -0.00084 -0.00168 0.00044 -0.00157 0.00371 142 2S 0.00221 0.00459 -0.00137 0.00300 -0.00679 143 2PX -0.00346 -0.01451 -0.00296 0.01007 -0.01532 144 2PY 0.00090 0.00448 0.00165 0.00188 0.00018 145 2PZ -0.00468 -0.02098 0.00003 -0.00152 -0.00341 146 3S 0.00626 0.01140 -0.00054 0.01055 -0.02854 147 3PX -0.00397 -0.01389 -0.00206 0.00958 -0.01531 148 3PY 0.00110 0.00491 0.00172 0.00105 -0.00127 149 3PZ -0.00449 -0.01877 -0.00059 -0.00081 -0.00060 150 4XX -0.00013 0.00012 0.00012 -0.00090 0.00191 151 4YY 0.00009 0.00034 -0.00010 -0.00042 0.00058 152 4ZZ 0.00004 -0.00022 -0.00034 -0.00011 0.00008 153 4XY -0.00016 -0.00071 -0.00009 0.00065 -0.00087 154 4XZ -0.00004 -0.00016 -0.00013 -0.00010 0.00037 155 4YZ 0.00015 -0.00001 0.00005 -0.00045 0.00045 156 20 O 1S 0.00282 0.00487 0.00015 0.00042 -0.00037 157 2S -0.00546 -0.01002 -0.00020 -0.00070 0.00066 158 2PX -0.01672 -0.04162 -0.00393 0.00729 -0.00858 159 2PY 0.00082 0.00280 0.00083 0.00074 0.00008 160 2PZ -0.00972 -0.02837 -0.00361 0.00759 -0.00807 161 3S -0.02005 -0.02791 -0.00062 -0.00499 0.00697 162 3PX -0.01460 -0.03392 -0.00366 0.00588 -0.00780 163 3PY 0.00186 0.00266 0.00033 0.00159 -0.00074 164 3PZ -0.00718 -0.02417 -0.00369 0.00831 -0.00906 165 4XX 0.00151 0.00237 0.00027 -0.00037 0.00026 166 4YY 0.00015 0.00023 0.00008 0.00010 -0.00004 167 4ZZ 0.00007 -0.00001 -0.00004 0.00041 -0.00041 168 4XY 0.00072 0.00189 0.00015 -0.00024 0.00029 169 4XZ 0.00045 0.00068 0.00001 0.00003 0.00002 170 4YZ -0.00006 0.00009 0.00000 -0.00006 -0.00011 171 21 C 1S -0.00085 -0.00217 -0.00054 0.00085 -0.00145 172 2S 0.00272 0.00712 0.00146 -0.00316 0.00494 173 2PX 0.00323 0.00980 0.00150 -0.00258 0.00379 174 2PY 0.00622 0.00907 -0.00098 0.00132 -0.00601 175 2PZ -0.00156 -0.00118 -0.00051 0.00143 -0.00241 176 3S 0.00387 0.00946 0.00214 -0.00368 0.00725 177 3PX -0.00003 -0.00267 -0.00085 0.00243 -0.00254 178 3PY 0.00695 0.01008 -0.00014 0.00061 -0.00593 179 3PZ -0.00187 -0.00586 -0.00081 0.00134 -0.00148 180 4XX -0.00081 -0.00244 -0.00030 0.00069 -0.00092 181 4YY 0.00063 0.00159 0.00022 -0.00059 0.00083 182 4ZZ -0.00004 0.00007 -0.00011 0.00020 -0.00015 183 4XY -0.00036 -0.00069 -0.00013 -0.00007 0.00021 184 4XZ -0.00022 -0.00119 -0.00006 0.00001 -0.00004 185 4YZ -0.00038 -0.00057 -0.00009 0.00026 0.00002 186 22 H 1S 0.00041 0.00365 0.00011 0.00011 0.00003 187 2S 0.00113 0.00549 -0.00052 0.00168 -0.00245 188 23 H 1S -0.00321 -0.01108 -0.00114 0.00218 -0.00313 189 2S -0.00781 -0.02543 -0.00344 0.00717 -0.01062 121 122 123 124 125 121 2PY 0.38112 122 2PZ 0.00398 0.40015 123 3S 0.00448 0.02951 0.31660 124 3PX -0.00135 -0.00023 -0.01343 0.08895 125 3PY 0.17478 0.00087 0.00454 -0.00399 0.08740 126 3PZ 0.00166 0.17903 0.01442 -0.00470 0.00054 127 4XX -0.00838 0.01103 0.00061 0.00655 -0.00340 128 4YY 0.01525 0.00028 -0.00513 -0.00060 0.00600 129 4ZZ -0.01006 -0.01441 -0.00144 -0.00411 -0.00421 130 4XY 0.00047 -0.00100 -0.00145 -0.00648 0.00089 131 4XZ -0.00052 -0.00893 0.00055 0.00512 -0.00077 132 4YZ -0.00053 -0.01458 0.00172 -0.00046 -0.00034 133 15 H 1S -0.09043 -0.24610 0.07881 -0.02310 -0.04111 134 2S -0.07745 -0.22661 -0.00345 -0.02448 -0.03434 135 16 H 1S -0.08045 0.06953 0.08698 0.11388 -0.04154 136 2S -0.06585 0.06412 0.00977 0.09998 -0.03169 137 17 H 1S -0.00125 0.00333 0.00835 0.00247 -0.00017 138 2S -0.00298 0.01128 0.02173 0.00375 -0.00075 139 18 H 1S 0.00258 0.00493 -0.02192 0.00374 0.00555 140 2S -0.00321 -0.01333 -0.01601 -0.00226 -0.00098 141 19 O 1S 0.00109 0.00111 -0.00155 0.00042 0.00367 142 2S -0.00234 -0.00124 -0.00300 0.00192 -0.00816 143 2PX -0.00093 -0.00048 0.01343 0.00447 -0.01166 144 2PY 0.00206 -0.00205 -0.03549 0.01304 0.00111 145 2PZ 0.00211 0.00840 0.03274 -0.00615 -0.00409 146 3S -0.00687 -0.01185 0.01108 -0.01173 -0.01352 147 3PX 0.00032 -0.00167 0.01575 -0.00004 -0.00815 148 3PY 0.00053 -0.00237 -0.02545 0.00761 0.00040 149 3PZ 0.00217 0.00828 0.02359 -0.00190 -0.00476 150 4XX 0.00015 0.00081 -0.00072 0.00083 0.00053 151 4YY 0.00020 0.00036 -0.00274 0.00091 0.00032 152 4ZZ -0.00015 0.00070 -0.00033 0.00005 -0.00009 153 4XY -0.00031 -0.00007 0.00088 0.00015 -0.00069 154 4XZ 0.00003 0.00006 0.00093 -0.00011 0.00013 155 4YZ 0.00006 0.00042 0.00078 -0.00027 0.00010 156 20 O 1S -0.00041 -0.00059 -0.00489 0.00124 -0.00170 157 2S 0.00025 0.00108 0.01225 -0.00373 0.00436 158 2PX 0.00458 0.00520 0.03590 -0.00295 0.00522 159 2PY -0.00242 -0.00214 -0.01186 0.00707 -0.00814 160 2PZ 0.00167 0.00525 0.03073 0.00085 -0.00402 161 3S 0.00506 0.00339 0.01358 -0.00142 0.00753 162 3PX 0.00547 0.00518 0.02873 -0.00212 0.00357 163 3PY -0.00191 -0.00125 -0.00690 0.00480 -0.00664 164 3PZ 0.00125 0.00447 0.03047 -0.00030 -0.00307 165 4XX -0.00051 -0.00048 -0.00159 -0.00004 -0.00025 166 4YY -0.00005 -0.00014 0.00021 -0.00025 0.00046 167 4ZZ -0.00037 0.00005 0.00074 0.00005 -0.00043 168 4XY -0.00001 -0.00011 -0.00152 0.00009 -0.00002 169 4XZ -0.00013 0.00009 -0.00053 0.00008 -0.00030 170 4YZ 0.00004 -0.00009 -0.00006 -0.00024 0.00008 171 21 C 1S -0.00079 0.00008 0.00408 -0.00122 -0.00091 172 2S 0.00162 -0.00042 -0.01164 0.00217 0.00357 173 2PX 0.00213 0.00053 -0.01697 0.00153 0.00550 174 2PY -0.00249 -0.00262 0.00749 -0.00583 -0.00294 175 2PZ -0.00040 -0.00197 0.00015 -0.00061 -0.00067 176 3S 0.00447 -0.00090 -0.01288 0.00264 0.00542 177 3PX 0.00088 0.00502 0.00459 -0.00042 -0.00044 178 3PY -0.00186 -0.00317 -0.00563 -0.00172 -0.00378 179 3PZ -0.00003 0.00104 0.00580 0.00013 -0.00114 180 4XX 0.00011 0.00026 0.00219 0.00009 -0.00032 181 4YY -0.00006 -0.00003 -0.00108 -0.00010 0.00016 182 4ZZ -0.00007 -0.00029 -0.00025 0.00010 -0.00011 183 4XY 0.00007 0.00022 0.00194 -0.00061 0.00048 184 4XZ -0.00004 0.00048 0.00198 -0.00010 -0.00035 185 4YZ 0.00008 -0.00009 -0.00025 0.00042 0.00011 186 22 H 1S -0.00019 -0.00255 -0.00593 0.00051 0.00054 187 2S -0.00261 -0.00161 -0.00470 -0.00073 -0.00161 188 23 H 1S 0.00017 0.00208 0.01395 -0.00034 -0.00268 189 2S -0.00033 0.00671 0.03204 -0.00213 -0.00669 126 127 128 129 130 126 3PZ 0.08364 127 4XX 0.00441 0.00161 128 4YY 0.00026 -0.00038 0.00123 129 4ZZ -0.00604 -0.00066 -0.00029 0.00156 130 4XY -0.00022 -0.00053 0.00020 0.00031 0.00089 131 4XZ -0.00403 0.00012 -0.00003 -0.00001 -0.00040 132 4YZ -0.00671 -0.00036 -0.00016 0.00052 -0.00001 133 15 H 1S -0.11026 -0.00783 -0.00511 0.01314 0.00169 134 2S -0.09887 -0.00873 -0.00338 0.01364 0.00232 135 16 H 1S 0.02494 0.01313 -0.00579 -0.00705 -0.00990 136 2S 0.02282 0.01314 -0.00444 -0.00742 -0.00888 137 17 H 1S 0.00378 0.00117 -0.00054 -0.00040 0.00033 138 2S 0.00922 0.00199 -0.00065 -0.00129 -0.00003 139 18 H 1S 0.01038 -0.00003 0.00008 0.00030 -0.00049 140 2S 0.00217 -0.00259 0.00051 0.00254 0.00004 141 19 O 1S -0.00071 0.00051 -0.00008 -0.00048 -0.00014 142 2S 0.00097 -0.00101 0.00029 0.00113 0.00024 143 2PX 0.01571 -0.00386 0.00161 0.00363 0.00018 144 2PY -0.00289 0.00036 0.00047 0.00057 0.00002 145 2PZ 0.03340 -0.00241 0.00108 0.00235 -0.00008 146 3S -0.00007 -0.00312 0.00022 0.00269 0.00112 147 3PX 0.01213 -0.00320 0.00123 0.00273 0.00027 148 3PY -0.00169 0.00004 0.00027 0.00060 0.00008 149 3PZ 0.02471 -0.00227 0.00116 0.00196 -0.00018 150 4XX 0.00058 0.00032 -0.00008 -0.00019 -0.00006 151 4YY -0.00001 0.00003 0.00004 0.00003 -0.00001 152 4ZZ -0.00031 -0.00004 0.00002 -0.00001 -0.00001 153 4XY 0.00047 -0.00017 0.00006 0.00016 0.00001 154 4XZ -0.00010 0.00010 -0.00002 -0.00010 -0.00001 155 4YZ 0.00133 0.00000 -0.00001 0.00003 -0.00002 156 20 O 1S -0.00039 -0.00013 0.00003 0.00011 0.00017 157 2S 0.00091 0.00034 -0.00012 -0.00034 -0.00034 158 2PX 0.00687 -0.00105 0.00047 0.00047 -0.00025 159 2PY -0.00425 -0.00003 0.00019 0.00049 0.00005 160 2PZ 0.00183 -0.00118 0.00025 0.00073 0.00016 161 3S 0.00147 0.00070 -0.00016 -0.00058 -0.00126 162 3PX 0.00617 -0.00108 0.00051 0.00048 -0.00023 163 3PY -0.00281 -0.00013 0.00027 0.00030 0.00013 164 3PZ 0.00229 -0.00099 0.00025 0.00052 0.00030 165 4XX -0.00035 0.00000 -0.00003 0.00005 0.00004 166 4YY 0.00005 0.00003 -0.00003 -0.00003 0.00002 167 4ZZ 0.00006 0.00003 0.00000 -0.00004 0.00003 168 4XY -0.00013 0.00007 -0.00004 -0.00004 0.00002 169 4XZ 0.00008 -0.00001 0.00001 0.00001 0.00001 170 4YZ 0.00010 -0.00005 0.00003 0.00001 -0.00001 171 21 C 1S 0.00031 -0.00031 0.00000 0.00011 -0.00001 172 2S -0.00058 0.00073 -0.00023 -0.00036 0.00000 173 2PX -0.00191 0.00097 -0.00021 -0.00065 0.00000 174 2PY -0.00001 -0.00137 0.00013 0.00087 0.00032 175 2PZ -0.00483 -0.00043 0.00010 0.00016 0.00004 176 3S -0.00071 0.00106 -0.00024 -0.00076 0.00002 177 3PX 0.00325 0.00011 0.00020 -0.00032 0.00003 178 3PY -0.00148 -0.00128 0.00032 0.00110 0.00037 179 3PZ 0.00192 -0.00064 0.00019 0.00051 -0.00001 180 4XX 0.00111 -0.00020 0.00009 0.00017 0.00000 181 4YY -0.00035 0.00015 -0.00006 -0.00011 -0.00001 182 4ZZ -0.00077 -0.00003 0.00001 -0.00001 0.00001 183 4XY -0.00010 0.00004 -0.00004 -0.00009 -0.00002 184 4XZ 0.00125 -0.00006 0.00001 0.00008 -0.00001 185 4YZ -0.00107 0.00010 -0.00003 -0.00009 0.00000 186 22 H 1S -0.00587 0.00010 -0.00005 -0.00019 0.00003 187 2S -0.00808 0.00038 -0.00008 -0.00058 0.00004 188 23 H 1S 0.00684 -0.00083 0.00030 0.00070 0.00000 189 2S 0.01307 -0.00196 0.00080 0.00139 0.00004 131 132 133 134 135 131 4XZ 0.00065 132 4YZ 0.00032 0.00095 133 15 H 1S 0.00470 0.01046 0.21677 134 2S 0.00364 0.00945 0.17930 0.17240 135 16 H 1S 0.00626 -0.00220 -0.02461 -0.05553 0.21519 136 2S 0.00503 -0.00252 -0.05111 -0.06291 0.17214 137 17 H 1S -0.00018 0.00017 -0.00222 -0.00346 0.00274 138 2S -0.00048 -0.00043 -0.00825 -0.01426 0.00831 139 18 H 1S 0.00093 -0.00025 -0.00266 0.01259 0.00330 140 2S 0.00077 0.00041 0.01600 0.03127 -0.00996 141 19 O 1S 0.00004 0.00009 -0.00258 -0.00236 0.00282 142 2S 0.00001 -0.00023 0.00478 0.00441 -0.00546 143 2PX -0.00019 -0.00050 0.01275 0.02354 -0.01672 144 2PY 0.00045 0.00027 0.00189 0.00792 -0.00082 145 2PZ -0.00013 -0.00117 0.00315 0.02458 -0.00972 146 3S -0.00009 -0.00005 0.01924 0.01852 -0.02004 147 3PX -0.00015 -0.00031 0.01150 0.01922 -0.01460 148 3PY 0.00037 0.00016 0.00251 0.00760 -0.00185 149 3PZ -0.00011 -0.00101 0.00139 0.01707 -0.00719 150 4XX 0.00002 -0.00002 -0.00134 -0.00120 0.00151 151 4YY 0.00002 -0.00002 -0.00040 0.00027 0.00015 152 4ZZ -0.00003 -0.00001 -0.00038 -0.00064 0.00007 153 4XY -0.00001 -0.00002 0.00065 0.00086 -0.00072 154 4XZ -0.00002 0.00002 -0.00033 -0.00069 0.00045 155 4YZ 0.00000 -0.00003 -0.00017 0.00077 0.00006 156 20 O 1S 0.00006 0.00003 0.00093 0.00141 -0.00084 157 2S -0.00013 0.00002 -0.00183 -0.00309 0.00221 158 2PX -0.00064 -0.00013 0.00017 -0.00321 -0.00346 159 2PY 0.00020 -0.00009 0.00170 0.00048 -0.00090 160 2PZ -0.00038 -0.00034 0.00091 -0.00475 -0.00468 161 3S -0.00016 -0.00041 -0.00731 -0.00846 0.00626 162 3PX -0.00058 -0.00025 -0.00048 -0.00270 -0.00396 163 3PY 0.00013 -0.00005 0.00153 0.00017 -0.00110 164 3PZ -0.00046 -0.00017 0.00141 -0.00447 -0.00449 165 4XX 0.00004 0.00003 0.00042 0.00082 -0.00013 166 4YY 0.00001 0.00003 0.00010 0.00013 0.00009 167 4ZZ -0.00002 0.00004 0.00013 -0.00029 0.00004 168 4XY 0.00002 0.00001 -0.00007 0.00013 0.00016 169 4XZ 0.00001 -0.00001 0.00006 0.00020 -0.00004 170 4YZ -0.00001 -0.00001 0.00006 0.00020 -0.00015 171 21 C 1S -0.00012 0.00000 0.00065 0.00001 -0.00085 172 2S 0.00023 0.00009 -0.00191 0.00066 0.00272 173 2PX 0.00023 0.00020 -0.00270 -0.00041 0.00322 174 2PY -0.00014 0.00001 0.00507 0.00585 -0.00622 175 2PZ -0.00011 0.00009 0.00138 -0.00251 -0.00156 176 3S 0.00033 0.00014 -0.00318 -0.00051 0.00386 177 3PX -0.00014 0.00003 -0.00186 -0.00212 -0.00003 178 3PY -0.00001 0.00000 0.00537 0.00796 -0.00695 179 3PZ -0.00010 -0.00010 0.00104 0.00150 -0.00187 180 4XX -0.00003 -0.00004 0.00052 0.00096 -0.00081 181 4YY 0.00003 0.00001 -0.00043 -0.00048 0.00063 182 4ZZ -0.00002 0.00002 0.00012 -0.00048 -0.00004 183 4XY -0.00003 0.00001 -0.00038 -0.00090 0.00036 184 4XZ -0.00001 -0.00004 0.00003 0.00060 -0.00022 185 4YZ -0.00001 0.00003 -0.00021 -0.00118 0.00038 186 22 H 1S 0.00000 0.00018 0.00038 -0.00304 0.00041 187 2S -0.00012 0.00031 0.00003 -0.00685 0.00113 188 23 H 1S -0.00015 -0.00026 0.00165 0.00413 -0.00321 189 2S -0.00051 -0.00047 0.00327 0.00566 -0.00781 136 137 138 139 140 136 2S 0.15964 137 17 H 1S 0.00043 0.21513 138 2S 0.00475 0.15898 0.14253 139 18 H 1S 0.00435 -0.00991 -0.00501 0.21512 140 2S -0.01571 -0.00501 -0.00014 0.15897 0.14252 141 19 O 1S 0.00487 -0.00279 -0.00197 0.01282 0.01379 142 2S -0.01002 0.00880 0.00720 -0.02690 -0.02820 143 2PX -0.04161 0.02792 0.05717 -0.01029 -0.00389 144 2PY -0.00279 0.02038 0.04583 0.02050 0.02782 145 2PZ -0.02837 -0.00863 0.00701 0.05198 0.09370 146 3S -0.02790 0.01003 -0.00120 -0.06287 -0.05496 147 3PX -0.03392 0.02086 0.04128 0.00199 0.01334 148 3PY -0.00265 0.01409 0.02974 0.01344 0.01586 149 3PZ -0.02417 -0.00676 0.00662 0.04014 0.06766 150 4XX 0.00237 -0.00019 0.00011 0.00263 0.00065 151 4YY 0.00023 0.00068 0.00223 0.00078 0.00208 152 4ZZ -0.00001 -0.00004 -0.00076 0.00410 0.00237 153 4XY -0.00189 -0.00091 0.00028 -0.00297 -0.00282 154 4XZ 0.00068 0.00087 0.00097 -0.00342 -0.00108 155 4YZ -0.00009 0.00058 0.00074 0.00327 0.00477 156 20 O 1S -0.00168 0.01282 0.01379 -0.00279 -0.00197 157 2S 0.00460 -0.02690 -0.02820 0.00879 0.00720 158 2PX -0.01450 -0.01029 -0.00388 0.02792 0.05716 159 2PY -0.00447 -0.02051 -0.02784 -0.02038 -0.04583 160 2PZ -0.02097 0.05198 0.09371 -0.00864 0.00699 161 3S 0.01140 -0.06287 -0.05495 0.01003 -0.00120 162 3PX -0.01388 0.00199 0.01335 0.02086 0.04128 163 3PY -0.00490 -0.01345 -0.01588 -0.01408 -0.02974 164 3PZ -0.01876 0.04014 0.06767 -0.00677 0.00660 165 4XX 0.00012 0.00263 0.00065 -0.00019 0.00011 166 4YY 0.00034 0.00078 0.00208 0.00068 0.00223 167 4ZZ -0.00022 0.00410 0.00237 -0.00004 -0.00076 168 4XY 0.00071 0.00297 0.00282 0.00091 -0.00028 169 4XZ -0.00016 -0.00342 -0.00108 0.00087 0.00097 170 4YZ 0.00001 -0.00327 -0.00477 -0.00058 -0.00074 171 21 C 1S -0.00217 -0.00639 -0.00664 -0.00639 -0.00664 172 2S 0.00712 0.01742 0.01862 0.01742 0.01862 173 2PX 0.00980 0.02347 0.03203 0.02348 0.03204 174 2PY -0.00907 0.02367 0.02340 -0.02367 -0.02339 175 2PZ -0.00119 -0.00881 -0.02333 -0.00881 -0.02333 176 3S 0.00946 0.02692 0.02466 0.02692 0.02466 177 3PX -0.00267 0.01896 0.02622 0.01896 0.02622 178 3PY -0.01008 0.01605 0.01284 -0.01604 -0.01284 179 3PZ -0.00586 0.00208 0.00067 0.00208 0.00067 180 4XX -0.00244 0.00020 0.00292 0.00020 0.00292 181 4YY 0.00159 -0.00001 -0.00055 -0.00001 -0.00055 182 4ZZ 0.00007 -0.00167 -0.00352 -0.00167 -0.00352 183 4XY 0.00069 0.00039 0.00063 -0.00039 -0.00063 184 4XZ -0.00119 0.00197 0.00320 0.00197 0.00320 185 4YZ 0.00057 0.00185 0.00225 -0.00185 -0.00225 186 22 H 1S 0.00365 -0.00859 -0.02133 -0.00859 -0.02133 187 2S 0.00549 -0.01971 -0.03375 -0.01971 -0.03375 188 23 H 1S -0.01108 0.00315 0.01187 0.00315 0.01186 189 2S -0.02543 0.00885 0.02652 0.00885 0.02651 141 142 143 144 145 141 19 O 1S 2.07561 142 2S -0.17780 0.50274 143 2PX 0.00635 -0.01602 0.61891 144 2PY 0.03934 -0.07420 0.05184 0.66751 145 2PZ -0.01474 0.02195 0.12921 -0.00021 0.74389 146 3S -0.24634 0.59439 -0.01666 -0.21224 0.11212 147 3PX 0.00455 -0.01074 0.37208 0.06149 0.14986 148 3PY 0.02576 -0.04951 0.05984 0.42595 -0.00051 149 3PZ -0.01067 0.01634 0.13509 -0.00840 0.49385 150 4XX -0.01619 -0.00080 0.00624 -0.00495 0.00255 151 4YY -0.01262 -0.00842 0.00035 0.04102 0.00096 152 4ZZ -0.01277 -0.00781 -0.00492 -0.00627 -0.01860 153 4XY 0.00166 -0.00377 0.02715 0.00460 0.00501 154 4XZ 0.00340 -0.00727 -0.00843 -0.00122 0.00375 155 4YZ -0.00109 0.00217 0.00342 -0.00832 0.02954 156 20 O 1S 0.00077 -0.00160 0.00910 0.01112 -0.00309 157 2S -0.00160 0.00452 -0.01812 -0.02883 0.00329 158 2PX 0.00910 -0.01813 0.00972 -0.00655 0.01636 159 2PY -0.01112 0.02882 0.00655 0.13503 0.00430 160 2PZ -0.00309 0.00329 0.01636 -0.00427 -0.01313 161 3S -0.01101 0.02308 -0.07520 -0.06165 0.01885 162 3PX 0.01177 -0.02562 0.02100 -0.00494 0.01557 163 3PY -0.00498 0.01321 0.01230 0.10395 0.00628 164 3PZ -0.00396 0.00692 0.01000 -0.00409 -0.01051 165 4XX 0.00000 0.00009 0.00255 -0.00359 -0.00261 166 4YY 0.00031 -0.00108 -0.00115 0.00255 -0.00063 167 4ZZ -0.00004 0.00051 0.00203 -0.00079 -0.00134 168 4XY -0.00099 0.00234 -0.00158 0.00245 -0.00155 169 4XZ -0.00039 0.00093 0.00036 0.00260 0.00268 170 4YZ 0.00056 -0.00137 -0.00055 -0.00314 0.00084 171 21 C 1S 0.00368 -0.00672 0.03471 -0.05992 -0.01055 172 2S -0.00203 0.00298 -0.07273 0.13212 0.01807 173 2PX -0.02027 0.04949 -0.09691 0.18920 0.03500 174 2PY 0.02801 -0.06706 0.17475 -0.22058 -0.06335 175 2PZ 0.00807 -0.01880 0.03593 -0.06959 -0.01036 176 3S 0.02965 -0.07504 -0.04358 0.09851 0.00492 177 3PX 0.00241 -0.00617 -0.01035 0.06250 0.04481 178 3PY 0.00259 -0.00242 0.07794 -0.01593 -0.01978 179 3PZ -0.00277 0.00520 0.04615 -0.02573 0.04519 180 4XX 0.00099 -0.00186 0.02081 0.00949 0.01054 181 4YY -0.00619 0.01488 -0.02163 -0.00440 0.00454 182 4ZZ 0.00363 -0.00782 0.00451 -0.00733 -0.01649 183 4XY 0.00596 -0.01406 0.00417 -0.02791 -0.01232 184 4XZ 0.00064 -0.00192 0.00781 -0.00848 0.01795 185 4YZ -0.00161 0.00409 -0.01289 0.00886 -0.02082 186 22 H 1S 0.01123 -0.02518 -0.00183 -0.01429 -0.06396 187 2S 0.00725 -0.01491 -0.02326 -0.03432 -0.11725 188 23 H 1S 0.00801 -0.02061 0.06403 -0.01288 0.05216 189 2S 0.00100 -0.00590 0.12383 -0.03429 0.13127 146 147 148 149 150 146 3S 0.76067 147 3PX -0.01067 0.23554 148 3PY -0.13519 0.05352 0.27450 149 3PZ 0.07654 0.12926 -0.00433 0.33563 150 4XX -0.00067 0.00334 -0.00252 0.00185 0.00074 151 4YY -0.01783 0.00225 0.02579 -0.00021 -0.00028 152 4ZZ -0.01080 -0.00471 -0.00415 -0.01188 0.00002 153 4XY -0.00352 0.01606 0.00407 0.00536 0.00009 154 4XZ -0.00701 -0.00438 -0.00133 0.00179 -0.00011 155 4YZ 0.00677 0.00422 -0.00517 0.01899 0.00027 156 20 O 1S -0.01101 0.01177 0.00498 -0.00396 0.00000 157 2S 0.02308 -0.02562 -0.01321 0.00692 0.00009 158 2PX -0.07519 0.02100 -0.01229 0.01000 0.00255 159 2PY 0.06163 0.00494 0.10394 0.00412 0.00359 160 2PZ 0.01887 0.01557 -0.00625 -0.01051 -0.00261 161 3S 0.06981 -0.06314 -0.03228 0.01403 0.00030 162 3PX -0.06313 0.02451 -0.00922 0.01261 0.00108 163 3PY 0.03226 0.00922 0.07744 0.00649 0.00177 164 3PZ 0.01404 0.01261 -0.00648 -0.00573 -0.00182 165 4XX 0.00030 0.00108 -0.00177 -0.00182 0.00036 166 4YY -0.00505 -0.00019 0.00042 -0.00090 -0.00033 167 4ZZ 0.00033 0.00127 -0.00037 -0.00048 0.00001 168 4XY 0.00364 -0.00128 0.00200 -0.00105 0.00004 169 4XZ 0.00163 0.00074 0.00161 0.00200 -0.00003 170 4YZ -0.00165 -0.00027 -0.00232 0.00130 -0.00004 171 21 C 1S 0.01957 0.01125 -0.03577 -0.00085 -0.00075 172 2S -0.05251 -0.02667 0.07755 -0.00023 0.00110 173 2PX 0.03486 -0.05641 0.11136 0.00520 -0.00914 174 2PY -0.03408 0.07989 -0.13353 -0.02260 0.00066 175 2PZ -0.01698 0.00577 -0.03802 -0.02126 -0.00076 176 3S -0.13434 -0.01208 0.05908 -0.00683 0.00254 177 3PX -0.01247 -0.00014 0.03572 0.02734 -0.00327 178 3PY 0.00765 0.04105 -0.00584 -0.00584 -0.00023 179 3PZ 0.01192 0.02741 -0.01360 0.02750 0.00008 180 4XX -0.00485 0.01458 0.00613 0.00906 0.00018 181 4YY 0.02277 -0.01356 -0.00340 0.00146 -0.00055 182 4ZZ -0.01118 0.00075 -0.00409 -0.01070 0.00024 183 4XY -0.01301 -0.00047 -0.01782 -0.00717 0.00004 184 4XZ 0.00159 0.00694 -0.00506 0.01304 0.00057 185 4YZ 0.00066 -0.00860 0.00510 -0.01492 -0.00022 186 22 H 1S -0.05214 -0.01061 -0.00657 -0.05253 0.00088 187 2S -0.03216 -0.03137 -0.02007 -0.08473 -0.00049 188 23 H 1S -0.03251 0.05656 -0.00786 0.04856 0.00535 189 2S 0.00355 0.09829 -0.02124 0.10795 0.00405 151 152 153 154 155 151 4YY 0.00293 152 4ZZ -0.00029 0.00115 153 4XY 0.00013 -0.00025 0.00154 154 4XZ 0.00005 -0.00011 -0.00035 0.00055 155 4YZ -0.00043 -0.00061 -0.00006 0.00011 0.00156 156 20 O 1S 0.00031 -0.00004 0.00099 -0.00039 -0.00056 157 2S -0.00108 0.00051 -0.00234 0.00093 0.00137 158 2PX -0.00115 0.00203 0.00159 0.00036 0.00055 159 2PY -0.00255 0.00079 0.00245 -0.00260 -0.00314 160 2PZ -0.00063 -0.00135 0.00155 0.00268 -0.00084 161 3S -0.00505 0.00033 -0.00364 0.00163 0.00165 162 3PX -0.00019 0.00127 0.00128 0.00074 0.00027 163 3PY -0.00042 0.00037 0.00200 -0.00161 -0.00232 164 3PZ -0.00090 -0.00048 0.00105 0.00200 -0.00130 165 4XX -0.00033 0.00001 -0.00004 -0.00003 0.00004 166 4YY 0.00088 -0.00023 -0.00016 0.00012 0.00005 167 4ZZ -0.00023 0.00030 0.00004 -0.00017 -0.00001 168 4XY 0.00016 -0.00004 -0.00043 -0.00001 0.00006 169 4XZ 0.00012 -0.00017 0.00001 0.00010 -0.00001 170 4YZ -0.00005 0.00001 0.00006 0.00001 -0.00017 171 21 C 1S -0.00707 0.00146 0.00478 0.00072 -0.00109 172 2S 0.01324 -0.00268 -0.00902 -0.00063 0.00218 173 2PX 0.01503 -0.00327 -0.00118 0.00111 0.00149 174 2PY -0.01035 0.00276 0.00633 -0.00043 0.00046 175 2PZ -0.00494 0.00639 0.00327 -0.00699 0.00679 176 3S 0.00995 -0.00061 -0.00667 0.00039 0.00166 177 3PX 0.00460 -0.00084 0.00074 0.00116 0.00140 178 3PY -0.00087 0.00006 0.00320 -0.00090 -0.00067 179 3PZ -0.00198 0.00090 0.00251 -0.00266 0.00418 180 4XX 0.00064 -0.00056 0.00093 0.00004 -0.00001 181 4YY -0.00033 -0.00034 -0.00083 0.00034 0.00022 182 4ZZ -0.00056 0.00092 0.00020 -0.00049 -0.00038 183 4XY -0.00123 0.00065 0.00007 0.00026 -0.00008 184 4XZ -0.00071 -0.00050 0.00009 0.00035 0.00059 185 4YZ 0.00036 0.00039 -0.00046 0.00001 -0.00096 186 22 H 1S 0.00015 0.00490 -0.00129 -0.00491 0.00201 187 2S -0.00212 0.00625 -0.00065 -0.00411 -0.00132 188 23 H 1S -0.00056 -0.00300 -0.00115 0.00171 -0.00049 189 2S -0.00325 -0.00390 0.00318 0.00188 0.00198 156 157 158 159 160 156 20 O 1S 2.07561 157 2S -0.17780 0.50274 158 2PX 0.00636 -0.01602 0.61890 159 2PY -0.03934 0.07419 -0.05187 0.66749 160 2PZ -0.01475 0.02197 0.12921 0.00019 0.74390 161 3S -0.24635 0.59441 -0.01668 0.21221 0.11217 162 3PX 0.00455 -0.01074 0.37209 -0.06151 0.14985 163 3PY -0.02576 0.04950 -0.05987 0.42595 0.00049 164 3PZ -0.01067 0.01635 0.13508 0.00838 0.49386 165 4XX -0.01619 -0.00080 0.00624 0.00495 0.00255 166 4YY -0.01262 -0.00841 0.00035 -0.04101 0.00096 167 4ZZ -0.01277 -0.00781 -0.00492 0.00627 -0.01861 168 4XY -0.00166 0.00377 -0.02715 0.00461 -0.00501 169 4XZ 0.00340 -0.00727 -0.00844 0.00122 0.00375 170 4YZ 0.00109 -0.00217 -0.00342 -0.00832 -0.02953 171 21 C 1S 0.00368 -0.00672 0.03470 0.05992 -0.01054 172 2S -0.00203 0.00297 -0.07272 -0.13211 0.01804 173 2PX -0.02027 0.04948 -0.09690 -0.18919 0.03495 174 2PY -0.02801 0.06705 -0.17474 -0.22064 0.06330 175 2PZ 0.00806 -0.01878 0.03589 0.06955 -0.01033 176 3S 0.02965 -0.07504 -0.04358 -0.09851 0.00489 177 3PX 0.00241 -0.00617 -0.01035 -0.06252 0.04480 178 3PY -0.00259 0.00242 -0.07796 -0.01595 0.01977 179 3PZ -0.00277 0.00520 0.04614 0.02572 0.04521 180 4XX 0.00099 -0.00186 0.02081 -0.00949 0.01053 181 4YY -0.00619 0.01488 -0.02164 0.00439 0.00453 182 4ZZ 0.00363 -0.00782 0.00451 0.00734 -0.01648 183 4XY -0.00596 0.01406 -0.00417 -0.02791 0.01231 184 4XZ 0.00064 -0.00192 0.00781 0.00847 0.01796 185 4YZ 0.00161 -0.00408 0.01288 0.00886 0.02082 186 22 H 1S 0.01123 -0.02518 -0.00183 0.01431 -0.06395 187 2S 0.00725 -0.01491 -0.02326 0.03435 -0.11723 188 23 H 1S 0.00801 -0.02060 0.06403 0.01287 0.05216 189 2S 0.00100 -0.00590 0.12382 0.03426 0.13128 161 162 163 164 165 161 3S 0.76072 162 3PX -0.01068 0.23555 163 3PY 0.13516 -0.05355 0.27450 164 3PZ 0.07657 0.12925 0.00432 0.33564 165 4XX -0.00067 0.00334 0.00251 0.00185 0.00074 166 4YY -0.01783 0.00225 -0.02579 -0.00021 -0.00028 167 4ZZ -0.01080 -0.00471 0.00415 -0.01188 0.00002 168 4XY 0.00352 -0.01606 0.00408 -0.00536 -0.00009 169 4XZ -0.00700 -0.00439 0.00133 0.00179 -0.00011 170 4YZ -0.00677 -0.00422 -0.00517 -0.01899 -0.00027 171 21 C 1S 0.01957 0.01125 0.03577 -0.00084 -0.00075 172 2S -0.05251 -0.02666 -0.07755 -0.00025 0.00110 173 2PX 0.03485 -0.05640 -0.11135 0.00518 -0.00914 174 2PY 0.03408 -0.07989 -0.13356 0.02258 -0.00066 175 2PZ -0.01698 0.00575 0.03800 -0.02125 -0.00076 176 3S -0.13434 -0.01209 -0.05908 -0.00685 0.00254 177 3PX -0.01247 -0.00013 -0.03573 0.02734 -0.00327 178 3PY -0.00766 -0.04106 -0.00586 0.00583 0.00023 179 3PZ 0.01191 0.02740 0.01360 0.02751 0.00008 180 4XX -0.00485 0.01458 -0.00613 0.00906 0.00018 181 4YY 0.02277 -0.01357 0.00339 0.00146 -0.00055 182 4ZZ -0.01118 0.00075 0.00409 -0.01069 0.00024 183 4XY 0.01300 0.00047 -0.01783 0.00717 -0.00004 184 4XZ 0.00159 0.00694 0.00506 0.01304 0.00057 185 4YZ -0.00065 0.00860 0.00510 0.01493 0.00022 186 22 H 1S -0.05214 -0.01061 0.00658 -0.05252 0.00088 187 2S -0.03216 -0.03137 0.02009 -0.08472 -0.00049 188 23 H 1S -0.03251 0.05656 0.00786 0.04856 0.00535 189 2S 0.00356 0.09829 0.02122 0.10795 0.00405 166 167 168 169 170 166 4YY 0.00293 167 4ZZ -0.00029 0.00115 168 4XY -0.00013 0.00025 0.00154 169 4XZ 0.00005 -0.00011 0.00035 0.00055 170 4YZ 0.00043 0.00061 -0.00006 -0.00011 0.00156 171 21 C 1S -0.00707 0.00146 -0.00478 0.00071 0.00108 172 2S 0.01324 -0.00268 0.00902 -0.00063 -0.00217 173 2PX 0.01503 -0.00327 0.00118 0.00111 -0.00148 174 2PY 0.01036 -0.00276 0.00633 0.00043 0.00047 175 2PZ -0.00494 0.00638 -0.00326 -0.00699 -0.00679 176 3S 0.00996 -0.00061 0.00667 0.00039 -0.00166 177 3PX 0.00460 -0.00084 -0.00074 0.00116 -0.00140 178 3PY 0.00088 -0.00006 0.00320 0.00091 -0.00067 179 3PZ -0.00198 0.00089 -0.00251 -0.00266 -0.00418 180 4XX 0.00064 -0.00056 -0.00093 0.00004 0.00001 181 4YY -0.00033 -0.00034 0.00083 0.00034 -0.00022 182 4ZZ -0.00056 0.00092 -0.00020 -0.00049 0.00038 183 4XY 0.00123 -0.00065 0.00007 -0.00026 -0.00008 184 4XZ -0.00071 -0.00050 -0.00009 0.00035 -0.00059 185 4YZ -0.00036 -0.00039 -0.00046 -0.00001 -0.00096 186 22 H 1S 0.00015 0.00490 0.00129 -0.00491 -0.00201 187 2S -0.00212 0.00625 0.00065 -0.00411 0.00132 188 23 H 1S -0.00056 -0.00300 0.00115 0.00171 0.00049 189 2S -0.00324 -0.00390 -0.00318 0.00188 -0.00198 171 172 173 174 175 171 21 C 1S 2.04988 172 2S -0.06565 0.34507 173 2PX 0.01935 -0.03141 0.38990 174 2PY 0.00000 0.00000 -0.00001 0.29479 175 2PZ -0.00690 0.01462 0.02501 -0.00001 0.46074 176 3S -0.14934 0.26010 -0.06913 0.00001 0.01018 177 3PX 0.01725 -0.03493 0.12988 0.00001 -0.00346 178 3PY 0.00000 0.00000 0.00001 0.07133 -0.00001 179 3PZ -0.00161 0.00463 0.00309 -0.00001 0.16104 180 4XX -0.01697 -0.00181 -0.00428 0.00000 -0.01504 181 4YY -0.01319 -0.01006 0.02121 0.00000 -0.00791 182 4ZZ -0.01826 0.00097 -0.01466 0.00000 0.02222 183 4XY 0.00000 0.00000 0.00000 0.02764 0.00000 184 4XZ -0.00017 -0.00018 -0.01749 0.00000 -0.01530 185 4YZ 0.00000 0.00000 0.00000 -0.01017 -0.00001 186 22 H 1S -0.06049 0.12724 -0.05004 -0.00003 0.27567 187 2S -0.01310 0.03867 -0.02104 -0.00002 0.22748 188 23 H 1S -0.05869 0.11885 -0.21459 0.00001 -0.17364 189 2S -0.00827 0.02348 -0.17715 0.00002 -0.16454 176 177 178 179 180 176 3S 0.23163 177 3PX -0.03445 0.05548 178 3PY 0.00000 0.00000 0.02777 179 3PZ -0.00047 0.00131 -0.00001 0.06559 180 4XX -0.00001 0.00078 0.00000 -0.00236 0.00243 181 4YY -0.01252 0.00632 0.00000 -0.00359 -0.00114 182 4ZZ 0.00474 -0.00612 0.00000 0.00601 -0.00063 183 4XY 0.00000 0.00000 0.00411 0.00000 0.00000 184 4XZ 0.00242 -0.00337 0.00000 -0.00256 0.00114 185 4YZ 0.00000 0.00000 -0.00225 0.00000 0.00000 186 22 H 1S 0.10521 -0.03676 -0.00001 0.08871 -0.01009 187 2S 0.03139 -0.02458 -0.00001 0.06330 -0.01136 188 23 H 1S 0.11412 -0.06665 0.00000 -0.04683 0.01187 189 2S 0.03154 -0.03656 0.00000 -0.02965 0.01580 181 182 183 184 185 181 4YY 0.00355 182 4ZZ -0.00161 0.00259 183 4XY 0.00000 0.00000 0.00351 184 4XZ -0.00048 -0.00084 0.00000 0.00234 185 4YZ 0.00000 0.00000 -0.00055 0.00000 0.00183 186 22 H 1S -0.01175 0.01845 0.00000 -0.00998 0.00000 187 2S -0.00629 0.01676 0.00000 -0.01245 0.00000 188 23 H 1S -0.01320 -0.00197 0.00000 0.01733 0.00000 189 2S -0.01025 -0.00598 0.00000 0.01984 0.00000 186 187 188 189 186 22 H 1S 0.22384 187 2S 0.16995 0.15546 188 23 H 1S -0.04284 -0.07925 0.22402 189 2S -0.08779 -0.11042 0.19017 0.21157 Full Mulliken population analysis: 1 2 3 4 5 1 1 C 1S 2.05282 2 2S -0.01370 0.32755 3 2PX 0.00000 0.00000 0.35515 4 2PY 0.00000 0.00000 0.00000 0.41443 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.40212 6 3S -0.02917 0.19680 0.00000 0.00000 0.00000 7 3PX 0.00000 0.00000 0.12497 0.00000 0.00000 8 3PY 0.00000 0.00000 0.00000 0.07776 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.06992 10 4XX -0.00098 -0.00926 0.00000 0.00000 0.00000 11 4YY -0.00134 -0.00220 0.00000 0.00000 0.00000 12 4ZZ -0.00141 -0.00118 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 -0.00060 -0.00008 -0.00064 -0.00230 17 2S -0.00055 0.01175 0.00109 0.00957 0.03310 18 2PX -0.00010 0.00159 0.01558 0.00035 0.00939 19 2PY -0.00069 0.00979 -0.00035 -0.00037 0.02652 20 2PZ -0.00217 0.03226 0.01190 0.02709 0.03733 21 3S -0.00073 0.01369 0.00012 0.00626 0.03439 22 3PX 0.00003 -0.00012 0.02858 -0.00001 0.00427 23 3PY -0.00067 0.00768 -0.00075 -0.00083 0.01065 24 3PZ -0.00155 0.01812 0.00651 0.01220 0.00354 25 4XX 0.00001 -0.00053 0.00006 -0.00020 -0.00091 26 4YY 0.00002 -0.00046 -0.00001 -0.00025 -0.00035 27 4ZZ -0.00014 0.00189 0.00050 0.00199 -0.00092 28 4XY -0.00001 0.00009 0.00029 0.00000 0.00026 29 4XZ -0.00002 0.00017 0.00134 0.00012 0.00019 30 4YZ -0.00013 0.00141 0.00027 -0.00004 0.00193 31 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 32 2S 0.00000 -0.00009 -0.00002 -0.00030 -0.00005 33 2PX 0.00000 0.00000 -0.00004 0.00000 -0.00001 34 2PY 0.00000 -0.00024 -0.00002 -0.00052 -0.00005 35 2PZ 0.00000 -0.00016 -0.00002 -0.00036 -0.00005 36 3S 0.00005 -0.00115 -0.00026 -0.00152 -0.00166 37 3PX 0.00000 -0.00001 -0.00115 -0.00027 -0.00016 38 3PY 0.00007 -0.00138 -0.00035 0.00058 -0.00015 39 3PZ 0.00007 -0.00140 -0.00034 -0.00242 -0.00021 40 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 41 4YY 0.00000 0.00003 0.00000 0.00014 0.00001 42 4ZZ 0.00000 -0.00001 0.00000 -0.00002 0.00000 43 4XY 0.00000 0.00000 0.00001 0.00000 0.00000 44 4XZ 0.00000 0.00000 0.00001 0.00000 0.00000 45 4YZ 0.00000 0.00001 0.00000 0.00009 0.00000 46 4 C 1S 0.00000 -0.00046 0.00000 -0.00253 0.00000 47 2S -0.00046 0.00935 0.00000 0.03966 0.00000 48 2PX 0.00000 0.00000 0.01518 0.00000 0.00000 49 2PY -0.00253 0.03966 0.00000 0.09673 0.00000 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.00346 51 3S -0.00031 0.01099 0.00000 0.03106 0.00000 52 3PX 0.00000 0.00000 0.02443 0.00000 0.00000 53 3PY -0.00167 0.02306 0.00000 0.01798 0.00000 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.01020 55 4XX 0.00000 -0.00038 0.00000 -0.00084 0.00000 56 4YY -0.00026 0.00361 0.00000 0.00229 0.00000 57 4ZZ 0.00000 -0.00051 0.00000 -0.00133 0.00000 58 4XY 0.00000 0.00000 0.00204 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 0.00201 61 5 H 1S -0.00201 0.03151 0.01630 0.02421 0.05811 62 2S -0.00121 0.01248 0.01123 0.01528 0.03818 63 6 H 1S 0.00000 -0.00017 -0.00001 -0.00057 -0.00013 64 2S 0.00019 -0.00255 -0.00037 -0.00815 -0.00201 65 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 0.00000 -0.00001 0.00000 -0.00002 67 2PX 0.00000 -0.00001 -0.00002 0.00000 -0.00004 68 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 69 2PZ 0.00000 -0.00002 0.00000 0.00000 -0.00004 70 3S 0.00001 0.00008 -0.00033 0.00000 0.00017 71 3PX 0.00002 -0.00065 -0.00035 0.00000 -0.00157 72 3PY 0.00000 0.00000 0.00000 -0.00004 -0.00001 73 3PZ 0.00004 -0.00032 -0.00045 0.00000 0.00009 74 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 76 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4XZ 0.00000 0.00000 0.00001 0.00000 0.00001 79 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 81 2S 0.00000 0.00000 0.00000 0.00000 0.00000 82 2PX 0.00000 0.00000 -0.00001 0.00000 -0.00001 83 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 84 2PZ 0.00000 0.00000 -0.00002 0.00000 -0.00001 85 3S 0.00000 -0.00015 -0.00017 -0.00004 -0.00040 86 3PX 0.00000 0.00000 -0.00053 -0.00022 -0.00056 87 3PY 0.00000 -0.00010 0.00037 0.00003 0.00002 88 3PZ 0.00000 -0.00019 -0.00080 -0.00008 -0.00077 89 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 91 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 92 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00013 0.00000 0.00052 0.00003 97 10 H 1S 0.00000 -0.00019 0.00000 -0.00048 -0.00026 98 2S 0.00019 -0.00279 0.00008 -0.00661 -0.00295 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 0.00001 0.00001 -0.00002 103 2PZ 0.00000 -0.00001 -0.00001 -0.00002 0.00000 104 3S 0.00002 -0.00042 -0.00012 -0.00033 -0.00038 105 3PX 0.00001 -0.00016 -0.00001 -0.00039 0.00004 106 3PY 0.00001 -0.00023 0.00041 0.00008 -0.00088 107 3PZ 0.00001 -0.00023 0.00000 -0.00044 -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 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 116 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 117 2S 0.00000 0.00001 0.00010 -0.00001 -0.00002 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 -0.00004 -0.00006 0.00000 -0.00014 120 2PX 0.00000 -0.00006 0.00004 0.00000 -0.00026 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 -0.00018 -0.00015 0.00000 -0.00039 123 3S 0.00004 -0.00071 -0.00205 0.00001 -0.00159 124 3PX 0.00004 -0.00086 0.00011 0.00003 -0.00298 125 3PY 0.00000 0.00003 0.00004 0.00013 0.00007 126 3PZ 0.00012 -0.00201 -0.00037 -0.00001 -0.00290 127 4XX 0.00000 0.00000 -0.00001 0.00000 0.00001 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00002 0.00006 0.00000 0.00004 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00003 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00014 0.00018 0.00002 0.00021 135 16 H 1S 0.00000 0.00000 -0.00001 0.00000 0.00000 136 2S 0.00000 -0.00004 -0.00059 0.00000 0.00019 137 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00002 0.00001 0.00001 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00000 0.00003 -0.00008 0.00000 0.00002 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 -0.00002 -0.00015 0.00000 -0.00006 147 3PX 0.00000 -0.00007 -0.00015 0.00000 -0.00006 148 3PY 0.00000 0.00000 -0.00004 0.00000 -0.00001 149 3PZ 0.00000 -0.00004 -0.00005 -0.00001 0.00002 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.00003 0.00000 0.00001 163 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00003 0.00000 0.00001 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 -0.00002 0.00000 0.00000 177 3PX 0.00000 0.00000 0.00023 0.00000 0.00003 178 3PY 0.00000 0.00000 0.00003 0.00000 0.00000 179 3PZ 0.00000 0.00000 -0.00002 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 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 0.00004 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 6 7 8 9 10 6 3S 0.23665 7 3PX 0.00000 0.14682 8 3PY 0.00000 0.00000 0.05806 9 3PZ 0.00000 0.00000 0.00000 0.05818 10 4XX -0.00540 0.00000 0.00000 0.00000 0.00073 11 4YY -0.00176 0.00000 0.00000 0.00000 0.00004 12 4ZZ 0.00010 0.00000 0.00000 0.00000 0.00008 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 0.00057 0.00019 -0.00040 -0.00061 0.00001 17 2S 0.00549 -0.00087 0.00362 0.01568 -0.00036 18 2PX 0.00073 0.02581 -0.00025 0.00448 0.00004 19 2PY 0.01080 -0.00098 0.00131 0.00874 -0.00019 20 2PZ 0.01333 0.00536 0.01498 0.00074 -0.00062 21 3S -0.01157 -0.00246 0.00205 0.01608 -0.00084 22 3PX 0.00067 0.04680 -0.00111 0.00457 -0.00011 23 3PY 0.00480 -0.00117 0.00079 0.00413 -0.00027 24 3PZ 0.00210 0.00505 0.01101 0.00065 -0.00018 25 4XX -0.00040 -0.00018 -0.00046 -0.00021 0.00002 26 4YY -0.00145 -0.00002 -0.00041 -0.00028 0.00000 27 4ZZ 0.00253 0.00049 0.00106 -0.00076 -0.00002 28 4XY 0.00003 0.00021 -0.00001 0.00004 0.00000 29 4XZ 0.00004 0.00103 -0.00002 0.00003 0.00000 30 4YZ 0.00037 0.00002 -0.00001 0.00005 -0.00004 31 3 C 1S -0.00001 0.00000 0.00010 -0.00009 0.00000 32 2S -0.00108 -0.00010 -0.00226 0.00033 0.00000 33 2PX -0.00004 -0.00102 -0.00028 -0.00020 0.00000 34 2PY -0.00519 0.00000 -0.00558 0.00027 0.00000 35 2PZ 0.00148 0.00004 0.00101 0.00049 0.00000 36 3S -0.00123 -0.00022 -0.00338 -0.00104 0.00003 37 3PX -0.00079 -0.00494 -0.00136 -0.00076 0.00001 38 3PY -0.00657 -0.00034 -0.00205 0.00089 0.00000 39 3PZ 0.00329 -0.00048 0.00197 -0.00058 -0.00001 40 4XX -0.00007 0.00000 -0.00017 -0.00006 0.00000 41 4YY 0.00044 -0.00002 0.00071 0.00000 0.00000 42 4ZZ -0.00011 0.00003 -0.00016 0.00000 0.00000 43 4XY 0.00000 0.00005 0.00000 0.00001 0.00000 44 4XZ -0.00002 0.00010 -0.00001 0.00000 0.00000 45 4YZ 0.00013 0.00000 0.00016 0.00002 0.00000 46 4 C 1S -0.00031 0.00000 -0.00167 0.00000 0.00000 47 2S 0.01099 0.00000 0.02307 0.00000 -0.00038 48 2PX 0.00000 0.02443 0.00000 0.00000 0.00000 49 2PY 0.03106 0.00000 0.01798 0.00000 -0.00084 50 2PZ 0.00000 0.00000 0.00000 0.01020 0.00000 51 3S -0.00467 0.00000 0.01031 0.00000 -0.00083 52 3PX 0.00000 0.04128 0.00000 0.00000 0.00000 53 3PY 0.01030 0.00000 0.00190 0.00000 -0.00069 54 3PZ 0.00000 0.00000 0.00000 0.01004 0.00000 55 4XX -0.00083 0.00000 -0.00069 0.00000 0.00002 56 4YY 0.00381 0.00000 0.00115 0.00000 -0.00006 57 4ZZ -0.00199 0.00000 -0.00204 0.00000 0.00001 58 4XY 0.00000 0.00130 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 0.00046 0.00000 61 5 H 1S 0.04222 0.00788 0.00986 0.02403 -0.00036 62 2S 0.03625 0.00864 0.00743 0.01856 0.00032 63 6 H 1S -0.00414 0.00006 -0.00333 0.00017 0.00000 64 2S -0.01645 -0.00018 -0.01333 0.00033 0.00010 65 7 C 1S 0.00000 0.00002 0.00000 0.00002 0.00000 66 2S -0.00003 -0.00059 0.00000 -0.00062 0.00000 67 2PX 0.00036 -0.00051 0.00000 -0.00030 0.00000 68 2PY 0.00000 0.00000 0.00009 0.00000 0.00000 69 2PZ 0.00011 -0.00063 0.00000 -0.00068 0.00000 70 3S 0.00047 -0.00225 0.00000 -0.00168 0.00000 71 3PX 0.00174 -0.00125 0.00000 -0.00234 0.00000 72 3PY 0.00000 0.00000 -0.00020 -0.00001 0.00000 73 3PZ 0.00066 -0.00273 0.00000 -0.00122 -0.00003 74 4XX -0.00004 0.00004 0.00000 -0.00005 0.00000 75 4YY 0.00000 -0.00003 0.00000 -0.00002 0.00000 76 4ZZ 0.00007 0.00008 0.00000 0.00014 0.00000 77 4XY 0.00000 0.00000 -0.00001 0.00000 0.00000 78 4XZ 0.00000 0.00008 0.00000 0.00008 0.00000 79 4YZ 0.00000 0.00000 -0.00002 0.00000 0.00000 80 8 C 1S 0.00000 0.00001 0.00000 0.00001 0.00000 81 2S 0.00000 -0.00029 -0.00003 -0.00023 0.00000 82 2PX -0.00010 -0.00048 -0.00026 -0.00085 0.00000 83 2PY -0.00008 0.00014 0.00002 0.00001 0.00000 84 2PZ -0.00011 -0.00123 -0.00039 -0.00083 0.00000 85 3S -0.00079 -0.00156 -0.00041 -0.00183 0.00000 86 3PX -0.00069 -0.00149 -0.00149 -0.00410 0.00000 87 3PY -0.00029 0.00180 0.00008 0.00119 0.00000 88 3PZ -0.00045 -0.00467 -0.00119 -0.00299 0.00001 89 4XX 0.00000 -0.00001 -0.00001 -0.00002 0.00000 90 4YY 0.00000 0.00000 0.00000 -0.00001 0.00000 91 4ZZ 0.00001 0.00006 0.00001 0.00005 0.00000 92 4XY 0.00000 -0.00001 0.00000 0.00000 0.00000 93 4XZ -0.00001 0.00000 -0.00001 -0.00001 0.00000 94 4YZ 0.00000 -0.00001 0.00000 -0.00001 0.00000 95 9 H 1S 0.00014 0.00000 0.00034 -0.00001 0.00000 96 2S 0.00203 -0.00002 0.00381 0.00011 0.00000 97 10 H 1S -0.00397 0.00003 -0.00003 -0.00158 0.00000 98 2S -0.01341 0.00029 -0.00224 -0.00516 0.00000 99 11 C 1S 0.00002 0.00001 0.00001 0.00001 0.00000 100 2S -0.00038 -0.00025 -0.00015 -0.00013 0.00000 101 2PX -0.00067 -0.00013 -0.00021 -0.00049 0.00000 102 2PY -0.00021 0.00023 0.00009 -0.00050 0.00000 103 2PZ -0.00082 -0.00037 -0.00079 -0.00015 0.00000 104 3S -0.00472 -0.00083 -0.00209 -0.00150 0.00002 105 3PX -0.00270 0.00002 -0.00093 -0.00135 0.00000 106 3PY -0.00122 0.00171 -0.00003 -0.00233 0.00000 107 3PZ -0.00311 -0.00033 -0.00223 -0.00045 0.00002 108 4XX -0.00001 0.00002 -0.00005 -0.00002 0.00000 109 4YY 0.00001 -0.00003 0.00003 -0.00001 0.00000 110 4ZZ 0.00003 -0.00001 0.00002 0.00006 0.00000 111 4XY 0.00001 0.00000 0.00000 0.00002 0.00000 112 4XZ -0.00003 0.00000 -0.00002 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00002 -0.00001 0.00000 114 12 H 1S 0.00001 0.00000 0.00002 0.00001 0.00000 115 2S 0.00032 0.00000 0.00031 0.00023 0.00000 116 13 H 1S 0.00004 0.00007 -0.00002 0.00004 0.00000 117 2S 0.00062 0.00138 -0.00036 -0.00003 0.00000 118 14 C 1S 0.00002 0.00006 0.00000 0.00005 0.00000 119 2S -0.00047 -0.00094 -0.00004 -0.00079 0.00000 120 2PX 0.00037 0.00033 -0.00004 0.00003 0.00000 121 2PY -0.00002 0.00002 0.00017 -0.00003 0.00000 122 2PZ -0.00145 -0.00148 -0.00016 -0.00112 0.00001 123 3S 0.00196 -0.00722 -0.00019 0.00182 0.00005 124 3PX 0.00125 -0.00006 -0.00003 -0.00127 0.00003 125 3PY 0.00007 0.00009 0.00106 0.00000 0.00000 126 3PZ -0.00137 -0.00113 -0.00025 -0.00149 0.00014 127 4XX -0.00003 -0.00023 -0.00001 0.00016 0.00000 128 4YY -0.00007 0.00001 0.00000 -0.00010 0.00000 129 4ZZ 0.00018 0.00049 0.00002 0.00005 0.00000 130 4XY 0.00000 0.00000 -0.00002 0.00000 0.00000 131 4XZ 0.00002 0.00000 0.00000 0.00008 0.00000 132 4YZ 0.00000 0.00000 -0.00005 0.00000 0.00000 133 15 H 1S 0.00005 0.00007 0.00004 0.00006 0.00000 134 2S 0.00085 0.00129 0.00040 0.00019 0.00000 135 16 H 1S -0.00013 -0.00083 -0.00001 0.00002 0.00000 136 2S -0.00096 -0.00342 -0.00002 0.00000 0.00000 137 17 H 1S 0.00000 0.00001 0.00001 0.00001 0.00000 138 2S 0.00014 0.00029 0.00024 0.00042 0.00000 139 18 H 1S 0.00002 -0.00006 0.00002 -0.00001 0.00000 140 2S 0.00022 -0.00057 0.00020 -0.00001 0.00000 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S -0.00004 -0.00009 0.00000 -0.00004 0.00000 143 2PX 0.00012 -0.00009 -0.00001 0.00012 0.00000 144 2PY 0.00000 -0.00003 -0.00001 -0.00001 0.00000 145 2PZ 0.00015 0.00008 -0.00003 0.00015 0.00000 146 3S -0.00009 -0.00141 -0.00002 -0.00037 0.00000 147 3PX 0.00108 0.00001 -0.00010 0.00099 0.00001 148 3PY 0.00004 -0.00038 -0.00009 -0.00013 0.00000 149 3PZ 0.00114 0.00081 -0.00014 0.00065 0.00001 150 4XX 0.00001 0.00001 0.00000 0.00001 0.00000 151 4YY 0.00000 -0.00003 0.00000 -0.00001 0.00000 152 4ZZ -0.00001 0.00003 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00004 0.00000 0.00001 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00001 0.00001 0.00000 0.00001 0.00000 158 2PX 0.00001 0.00006 0.00001 0.00003 0.00000 159 2PY 0.00001 0.00000 0.00000 0.00001 0.00000 160 2PZ -0.00001 0.00007 0.00000 0.00001 0.00000 161 3S 0.00005 -0.00003 0.00000 0.00006 0.00000 162 3PX 0.00010 0.00072 0.00007 0.00039 0.00000 163 3PY 0.00009 -0.00021 -0.00002 0.00002 0.00000 164 3PZ -0.00006 0.00090 0.00005 0.00010 0.00000 165 4XX 0.00000 -0.00002 -0.00001 -0.00001 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00001 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 -0.00007 0.00000 -0.00001 0.00000 173 2PX 0.00000 -0.00005 0.00000 -0.00001 0.00000 174 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 175 2PZ -0.00001 -0.00001 0.00000 0.00000 0.00000 176 3S 0.00002 -0.00040 -0.00002 -0.00009 0.00000 177 3PX 0.00002 0.00174 0.00003 0.00031 0.00000 178 3PY 0.00003 0.00024 -0.00004 0.00005 0.00000 179 3PZ 0.00003 0.00002 0.00002 0.00000 0.00000 180 4XX 0.00000 0.00001 0.00000 0.00001 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S -0.00001 -0.00002 0.00000 0.00000 0.00000 187 2S -0.00022 0.00020 -0.00001 -0.00002 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00001 0.00011 0.00000 0.00004 0.00000 11 12 13 14 15 11 4YY 0.00115 12 4ZZ -0.00018 0.00110 13 4XY 0.00000 0.00000 0.00077 14 4XZ 0.00000 0.00000 0.00000 0.00070 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00134 16 2 C 1S 0.00001 -0.00012 -0.00001 -0.00002 -0.00014 17 2S -0.00045 0.00170 0.00010 0.00017 0.00145 18 2PX -0.00002 0.00041 0.00035 0.00110 0.00028 19 2PY -0.00027 0.00200 0.00000 0.00021 -0.00003 20 2PZ -0.00070 -0.00077 0.00029 0.00021 0.00176 21 3S -0.00065 0.00205 0.00005 0.00000 0.00074 22 3PX -0.00014 0.00052 0.00034 0.00069 0.00003 23 3PY -0.00054 0.00077 0.00000 0.00000 0.00005 24 3PZ -0.00048 -0.00084 0.00009 0.00003 0.00010 25 4XX -0.00001 0.00001 0.00000 0.00000 -0.00005 26 4YY 0.00004 -0.00017 0.00000 -0.00004 0.00001 27 4ZZ -0.00012 0.00004 -0.00002 0.00005 -0.00009 28 4XY 0.00000 0.00000 0.00000 0.00002 0.00000 29 4XZ -0.00002 0.00004 -0.00001 -0.00003 -0.00003 30 4YZ 0.00000 -0.00008 0.00000 -0.00001 0.00002 31 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 32 2S 0.00002 0.00000 0.00000 0.00000 0.00003 33 2PX 0.00001 0.00000 0.00002 0.00000 0.00001 34 2PY 0.00006 0.00000 0.00000 0.00000 0.00008 35 2PZ 0.00003 0.00001 0.00001 0.00000 0.00003 36 3S 0.00012 0.00003 0.00000 0.00000 0.00022 37 3PX 0.00003 -0.00003 0.00022 -0.00004 0.00003 38 3PY 0.00017 0.00007 -0.00001 0.00000 0.00021 39 3PZ -0.00003 0.00011 0.00006 0.00000 0.00003 40 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 41 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 42 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 43 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S -0.00026 0.00000 0.00000 0.00000 0.00000 47 2S 0.00361 -0.00051 0.00000 0.00000 0.00000 48 2PX 0.00000 0.00000 0.00204 0.00000 0.00000 49 2PY 0.00229 -0.00133 0.00000 0.00000 0.00000 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.00201 51 3S 0.00381 -0.00199 0.00000 0.00000 0.00000 52 3PX 0.00000 0.00000 0.00130 0.00000 0.00000 53 3PY 0.00115 -0.00204 0.00000 0.00000 0.00000 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.00046 55 4XX -0.00006 0.00001 0.00000 0.00000 0.00000 56 4YY -0.00007 -0.00001 0.00000 0.00000 0.00000 57 4ZZ -0.00001 0.00002 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00000 -0.00009 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 -0.00025 61 5 H 1S -0.00080 0.00180 0.00071 0.00150 0.00268 62 2S -0.00129 0.00240 0.00016 0.00026 0.00061 63 6 H 1S 0.00002 0.00000 0.00002 0.00000 0.00006 64 2S -0.00017 0.00015 0.00009 0.00000 0.00029 65 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 0.00000 0.00000 0.00000 0.00000 67 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 68 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 69 2PZ 0.00000 0.00001 0.00000 0.00001 0.00000 70 3S -0.00002 0.00006 0.00000 0.00002 0.00000 71 3PX -0.00003 0.00014 0.00000 0.00005 0.00000 72 3PY 0.00000 0.00000 0.00002 0.00000 0.00000 73 3PZ -0.00004 0.00012 0.00000 0.00010 0.00000 74 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 76 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 81 2S 0.00000 0.00000 0.00000 0.00000 0.00000 82 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 83 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 84 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 85 3S 0.00001 0.00000 0.00000 0.00000 0.00001 86 3PX 0.00000 0.00001 0.00000 0.00000 -0.00001 87 3PY 0.00000 -0.00001 0.00000 0.00000 0.00000 88 3PZ 0.00000 0.00001 0.00000 0.00001 0.00001 89 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 91 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 92 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S -0.00001 0.00000 0.00000 0.00000 -0.00001 97 10 H 1S 0.00009 -0.00003 0.00000 0.00000 0.00006 98 2S 0.00098 -0.00058 0.00001 -0.00001 0.00016 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 -0.00003 -0.00002 0.00001 -0.00001 105 3PX -0.00001 0.00002 0.00000 0.00000 -0.00002 106 3PY 0.00004 -0.00006 0.00000 -0.00001 0.00000 107 3PZ -0.00001 -0.00001 0.00000 0.00001 -0.00002 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 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 117 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00001 0.00000 0.00001 0.00000 120 2PX 0.00000 0.00003 0.00000 0.00002 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00004 0.00000 0.00004 0.00000 123 3S -0.00012 0.00023 0.00000 0.00007 -0.00001 124 3PX -0.00008 0.00023 0.00000 0.00004 -0.00001 125 3PY 0.00000 0.00000 0.00002 0.00000 -0.00006 126 3PZ -0.00013 0.00024 0.00000 0.00016 -0.00001 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 -0.00002 0.00000 0.00000 0.00000 135 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 136 2S 0.00000 0.00001 -0.00001 -0.00003 0.00000 137 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3PX 0.00000 -0.00002 0.00000 -0.00001 0.00000 148 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00000 0.00000 0.00000 177 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 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 2.05493 17 2S -0.01338 0.32601 18 2PX 0.00000 0.00000 0.34894 19 2PY 0.00000 0.00000 0.00000 0.41139 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.39186 21 3S -0.03626 0.23449 0.00000 0.00000 0.00000 22 3PX 0.00000 0.00000 0.11485 0.00000 0.00000 23 3PY 0.00000 0.00000 0.00000 0.07561 0.00000 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.09432 25 4XX -0.00092 -0.00901 0.00000 0.00000 0.00000 26 4YY -0.00146 0.00117 0.00000 0.00000 0.00000 27 4ZZ -0.00109 -0.00530 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 -0.00002 0.00000 -0.00006 0.00000 33 2PX 0.00000 0.00000 -0.00004 0.00000 0.00000 34 2PY 0.00000 -0.00006 0.00000 -0.00019 0.00000 35 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00002 36 3S 0.00007 -0.00081 0.00000 -0.00121 0.00000 37 3PX 0.00000 0.00000 -0.00162 0.00000 0.00000 38 3PY 0.00010 -0.00055 0.00000 0.00107 0.00000 39 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00080 40 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 41 4YY 0.00000 0.00000 0.00000 0.00001 0.00000 42 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 43 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00000 -0.00009 0.00000 -0.00024 -0.00016 48 2PX 0.00000 -0.00002 -0.00004 -0.00002 -0.00002 49 2PY 0.00000 -0.00030 0.00000 -0.00052 -0.00036 50 2PZ 0.00000 -0.00005 -0.00001 -0.00005 -0.00005 51 3S -0.00001 -0.00108 -0.00004 -0.00519 0.00148 52 3PX 0.00000 -0.00010 -0.00102 0.00000 0.00004 53 3PY 0.00010 -0.00226 -0.00028 -0.00558 0.00101 54 3PZ -0.00009 0.00033 -0.00020 0.00027 0.00049 55 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 56 4YY 0.00000 0.00002 0.00001 0.00006 0.00003 57 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 58 4XY 0.00000 0.00000 0.00002 0.00000 0.00001 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00003 0.00001 0.00008 0.00003 61 5 H 1S 0.00000 -0.00021 -0.00005 0.00000 -0.00066 62 2S 0.00026 -0.00353 -0.00095 0.00000 -0.01002 63 6 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 64 2S 0.00000 0.00013 -0.00001 0.00019 0.00034 65 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 -0.00009 0.00020 0.00001 0.00006 67 2PX 0.00000 0.00003 0.00187 0.00027 0.00077 68 2PY 0.00000 -0.00002 0.00023 -0.00001 0.00006 69 2PZ 0.00000 0.00007 0.00122 0.00012 0.00032 70 3S 0.00014 -0.00004 0.00261 0.00094 -0.00004 71 3PX 0.00009 -0.00126 0.00616 0.00128 0.00484 72 3PY 0.00000 -0.00033 0.00210 0.00017 0.00095 73 3PZ 0.00002 0.00072 0.00580 0.00057 0.00028 74 4XX 0.00000 0.00003 0.00008 0.00002 0.00007 75 4YY 0.00000 0.00000 -0.00001 0.00000 0.00000 76 4ZZ 0.00000 0.00000 -0.00002 0.00000 -0.00001 77 4XY 0.00000 0.00001 0.00002 0.00000 0.00001 78 4XZ 0.00000 0.00003 0.00011 0.00001 0.00003 79 4YZ 0.00000 0.00001 0.00001 0.00000 0.00000 80 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 81 2S 0.00000 0.00000 0.00000 0.00000 0.00000 82 2PX 0.00000 -0.00001 0.00000 0.00000 0.00000 83 2PY 0.00000 0.00000 -0.00001 -0.00001 0.00000 84 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 85 3S 0.00000 -0.00024 -0.00001 -0.00053 0.00006 86 3PX 0.00001 -0.00037 -0.00015 -0.00023 -0.00034 87 3PY -0.00001 -0.00005 0.00030 -0.00029 0.00025 88 3PZ 0.00000 -0.00029 -0.00014 -0.00013 0.00002 89 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 91 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 92 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00002 0.00000 0.00006 0.00000 97 10 H 1S -0.00197 0.03104 0.00168 0.09663 0.00025 98 2S -0.00122 0.01265 0.00087 0.06397 -0.00001 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 -0.00002 -0.00002 -0.00008 -0.00002 101 2PX 0.00000 -0.00002 -0.00001 -0.00002 -0.00002 102 2PY 0.00000 -0.00011 -0.00011 -0.00027 -0.00006 103 2PZ 0.00000 -0.00002 -0.00002 -0.00003 -0.00001 104 3S -0.00001 -0.00053 0.00050 -0.00351 -0.00080 105 3PX 0.00000 -0.00025 0.00003 -0.00004 -0.00033 106 3PY 0.00009 -0.00230 -0.00058 -0.00465 -0.00096 107 3PZ 0.00000 -0.00033 0.00000 -0.00042 0.00003 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00001 0.00001 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00001 0.00000 0.00002 0.00001 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00001 0.00001 0.00001 114 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00008 0.00000 0.00015 0.00016 116 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 117 2S 0.00000 0.00006 0.00021 0.00010 0.00001 118 14 C 1S 0.00000 -0.00020 -0.00048 -0.00024 -0.00060 119 2S -0.00020 0.00515 0.00949 0.00422 0.01170 120 2PX -0.00064 0.01324 0.00745 0.00782 0.02213 121 2PY -0.00019 0.00380 0.00742 -0.00061 0.00603 122 2PZ -0.00062 0.01221 0.01972 0.00706 0.00976 123 3S 0.00028 0.00640 0.00840 0.01039 0.01788 124 3PX -0.00067 0.01063 -0.00107 0.00493 0.01370 125 3PY -0.00022 0.00175 0.00522 0.00043 0.00356 126 3PZ -0.00061 0.01010 0.01285 0.00454 -0.00081 127 4XX -0.00001 0.00020 -0.00058 0.00027 0.00081 128 4YY 0.00000 -0.00018 -0.00015 -0.00006 -0.00016 129 4ZZ -0.00001 0.00030 0.00102 0.00026 -0.00066 130 4XY -0.00003 0.00045 0.00019 0.00003 0.00068 131 4XZ -0.00007 0.00120 0.00038 0.00065 0.00044 132 4YZ -0.00003 0.00043 0.00066 0.00003 0.00025 133 15 H 1S 0.00000 -0.00014 -0.00004 0.00000 -0.00050 134 2S 0.00018 -0.00271 0.00023 -0.00011 -0.00842 135 16 H 1S 0.00000 -0.00018 -0.00038 -0.00001 -0.00009 136 2S 0.00017 -0.00314 -0.00668 -0.00010 -0.00069 137 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00001 0.00005 0.00004 0.00005 139 18 H 1S 0.00000 -0.00002 -0.00004 0.00000 -0.00005 140 2S 0.00003 -0.00061 -0.00176 -0.00001 -0.00193 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 -0.00001 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 -0.00007 -0.00041 0.00000 0.00000 147 3PX 0.00000 -0.00021 -0.00135 -0.00002 -0.00006 148 3PY 0.00000 0.00000 0.00001 -0.00001 0.00000 149 3PZ 0.00000 -0.00002 -0.00019 0.00000 0.00006 150 4XX 0.00000 0.00000 0.00001 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00002 0.00000 0.00000 177 3PX 0.00000 0.00001 0.00001 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00005 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 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 21 22 23 24 25 21 3S 0.29352 22 3PX 0.00000 0.13460 23 3PY 0.00000 0.00000 0.05434 24 3PZ 0.00000 0.00000 0.00000 0.08688 25 4XX -0.00634 0.00000 0.00000 0.00000 0.00127 26 4YY 0.00257 0.00000 0.00000 0.00000 -0.00013 27 4ZZ -0.00501 0.00000 0.00000 0.00000 0.00007 28 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 29 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 31 3 C 1S 0.00007 0.00000 0.00010 0.00000 0.00000 32 2S -0.00081 0.00000 -0.00055 0.00000 0.00000 33 2PX 0.00000 -0.00162 0.00000 0.00000 0.00000 34 2PY -0.00121 0.00000 0.00107 0.00000 0.00000 35 2PZ 0.00000 0.00000 0.00000 -0.00080 0.00000 36 3S -0.00459 0.00000 -0.00156 0.00000 0.00000 37 3PX 0.00000 -0.00866 0.00000 0.00000 0.00000 38 3PY -0.00156 0.00000 0.00452 0.00000 0.00000 39 3PZ 0.00000 0.00000 0.00000 -0.00320 0.00000 40 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 41 4YY 0.00002 0.00000 -0.00003 0.00000 0.00000 42 4ZZ 0.00001 0.00000 -0.00002 0.00000 0.00000 43 4XY 0.00000 -0.00001 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 -0.00004 0.00000 46 4 C 1S 0.00005 0.00000 0.00007 0.00007 0.00000 47 2S -0.00115 -0.00001 -0.00138 -0.00140 0.00000 48 2PX -0.00026 -0.00115 -0.00035 -0.00034 0.00000 49 2PY -0.00152 -0.00027 0.00058 -0.00242 0.00000 50 2PZ -0.00166 -0.00016 -0.00015 -0.00021 0.00000 51 3S -0.00123 -0.00079 -0.00657 0.00329 -0.00007 52 3PX -0.00022 -0.00495 -0.00034 -0.00048 0.00000 53 3PY -0.00338 -0.00136 -0.00205 0.00197 -0.00017 54 3PZ -0.00104 -0.00076 0.00089 -0.00058 -0.00006 55 4XX 0.00003 0.00001 0.00000 -0.00001 0.00000 56 4YY 0.00012 0.00003 0.00017 -0.00003 0.00000 57 4ZZ 0.00003 -0.00003 0.00007 0.00011 0.00000 58 4XY 0.00000 0.00022 -0.00001 0.00006 0.00000 59 4XZ 0.00000 -0.00004 0.00000 0.00000 0.00000 60 4YZ 0.00022 0.00003 0.00021 0.00003 0.00000 61 5 H 1S -0.00370 0.00035 -0.00008 -0.00328 0.00001 62 2S -0.01436 0.00090 -0.00023 -0.01419 0.00032 63 6 H 1S 0.00011 0.00000 0.00005 0.00019 0.00000 64 2S 0.00160 -0.00013 0.00099 0.00242 0.00000 65 7 C 1S 0.00005 0.00000 -0.00001 -0.00008 0.00000 66 2S -0.00009 0.00035 0.00032 0.00091 0.00002 67 2PX -0.00022 0.00670 0.00053 0.00442 0.00007 68 2PY -0.00008 0.00093 0.00001 0.00082 0.00002 69 2PZ 0.00158 0.00586 0.00076 0.00060 0.00005 70 3S 0.00281 0.00466 0.00185 0.00257 0.00019 71 3PX -0.00116 0.00921 0.00120 0.00994 0.00050 72 3PY -0.00008 0.00428 -0.00005 0.00215 0.00013 73 3PZ 0.00366 0.01035 0.00121 -0.00078 0.00022 74 4XX 0.00050 0.00053 0.00019 0.00046 0.00000 75 4YY -0.00008 -0.00013 -0.00002 -0.00009 0.00000 76 4ZZ -0.00023 -0.00020 -0.00011 -0.00011 0.00000 77 4XY -0.00001 0.00005 0.00004 0.00003 0.00000 78 4XZ 0.00008 0.00028 0.00004 0.00003 0.00000 79 4YZ 0.00002 0.00007 0.00000 0.00000 0.00000 80 8 C 1S 0.00000 0.00001 0.00000 0.00000 0.00000 81 2S -0.00003 -0.00021 -0.00001 -0.00009 0.00000 82 2PX 0.00006 -0.00027 0.00037 0.00001 0.00000 83 2PY -0.00004 -0.00041 0.00007 -0.00034 0.00000 84 2PZ -0.00007 -0.00043 0.00017 0.00000 0.00000 85 3S -0.00063 -0.00028 -0.00030 0.00002 0.00000 86 3PX 0.00011 -0.00120 0.00116 -0.00058 0.00001 87 3PY -0.00066 0.00185 -0.00036 0.00013 0.00000 88 3PZ -0.00047 -0.00121 0.00043 -0.00008 0.00003 89 4XX 0.00001 -0.00002 0.00003 0.00000 0.00000 90 4YY 0.00001 0.00001 0.00001 0.00000 0.00000 91 4ZZ 0.00000 0.00001 -0.00002 0.00000 0.00000 92 4XY 0.00000 0.00006 0.00002 0.00004 0.00000 93 4XZ 0.00000 -0.00002 0.00001 0.00000 0.00000 94 4YZ 0.00001 0.00006 0.00001 0.00001 0.00000 95 9 H 1S 0.00000 0.00000 -0.00002 0.00000 0.00000 96 2S 0.00022 0.00003 -0.00012 0.00001 0.00000 97 10 H 1S 0.04211 0.00016 0.04339 0.00025 -0.00100 98 2S 0.02299 -0.00061 0.04211 -0.00009 -0.00193 99 11 C 1S 0.00000 0.00000 0.00004 0.00003 0.00000 100 2S -0.00029 -0.00019 -0.00092 -0.00047 0.00000 101 2PX 0.00030 0.00004 0.00112 -0.00065 0.00000 102 2PY -0.00115 -0.00077 -0.00110 -0.00094 -0.00001 103 2PZ -0.00023 -0.00017 0.00066 0.00002 0.00000 104 3S -0.00131 0.00307 -0.00621 -0.00390 -0.00008 105 3PX 0.00110 0.00056 0.00211 -0.00136 0.00000 106 3PY -0.00452 -0.00001 -0.00398 -0.00237 -0.00013 107 3PZ -0.00082 -0.00002 0.00054 0.00059 -0.00002 108 4XX -0.00002 0.00010 0.00000 -0.00002 0.00000 109 4YY 0.00002 -0.00010 0.00004 0.00003 0.00000 110 4ZZ 0.00001 -0.00008 -0.00003 0.00003 0.00000 111 4XY 0.00001 0.00000 0.00000 0.00006 0.00000 112 4XZ -0.00001 0.00000 0.00002 0.00000 0.00000 113 4YZ 0.00004 0.00005 0.00002 0.00000 0.00000 114 12 H 1S 0.00005 0.00000 -0.00004 0.00007 0.00000 115 2S 0.00050 -0.00026 -0.00014 0.00109 0.00001 116 13 H 1S -0.00003 0.00020 -0.00011 0.00004 0.00000 117 2S -0.00016 0.00182 -0.00020 0.00028 0.00000 118 14 C 1S 0.00005 -0.00012 -0.00021 -0.00038 -0.00002 119 2S 0.00398 0.00415 0.00297 0.00604 0.00042 120 2PX 0.01012 -0.00083 0.00089 0.01048 -0.00061 121 2PY 0.00280 0.00414 -0.00148 0.00316 0.00035 122 2PZ 0.01394 0.00690 0.00184 -0.00057 0.00093 123 3S -0.00481 -0.00513 0.00622 0.01216 0.00131 124 3PX 0.00531 -0.00501 0.00062 0.00828 -0.00060 125 3PY 0.00027 0.00442 -0.00069 0.00153 0.00037 126 3PZ 0.00943 0.00660 0.00083 -0.00343 0.00097 127 4XX 0.00088 -0.00132 0.00038 0.00124 0.00005 128 4YY -0.00033 0.00012 -0.00035 -0.00033 -0.00003 129 4ZZ -0.00007 0.00173 0.00001 -0.00087 -0.00010 130 4XY 0.00016 0.00000 0.00014 0.00018 -0.00003 131 4XZ 0.00057 0.00000 0.00006 0.00000 -0.00003 132 4YZ 0.00022 0.00015 0.00011 0.00000 0.00001 133 15 H 1S -0.00280 0.00059 0.00001 -0.00303 -0.00001 134 2S -0.01128 0.00426 -0.00019 -0.01434 -0.00034 135 16 H 1S -0.00075 -0.00497 0.00025 -0.00047 0.00013 136 2S -0.00116 -0.01771 0.00063 0.00030 0.00093 137 17 H 1S 0.00001 0.00004 -0.00001 0.00002 0.00000 138 2S 0.00013 0.00076 -0.00011 0.00058 0.00000 139 18 H 1S -0.00085 -0.00135 -0.00001 -0.00053 0.00000 140 2S -0.00506 -0.00782 -0.00004 -0.00547 -0.00003 141 19 O 1S 0.00000 0.00001 0.00000 0.00000 0.00000 142 2S 0.00003 -0.00020 0.00002 -0.00005 0.00000 143 2PX -0.00041 -0.00134 -0.00007 -0.00013 0.00000 144 2PY -0.00001 0.00003 -0.00003 0.00000 0.00000 145 2PZ -0.00010 -0.00016 -0.00002 0.00014 0.00000 146 3S -0.00081 -0.00262 0.00001 -0.00035 0.00000 147 3PX -0.00356 -0.00697 -0.00044 -0.00072 0.00005 148 3PY -0.00006 0.00021 -0.00023 -0.00002 0.00000 149 3PZ -0.00072 -0.00104 -0.00009 0.00126 0.00001 150 4XX 0.00001 0.00023 0.00000 0.00002 0.00000 151 4YY 0.00002 -0.00004 0.00000 0.00000 0.00000 152 4ZZ 0.00002 -0.00002 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00001 -0.00001 0.00000 0.00000 154 4XZ 0.00000 0.00002 0.00000 -0.00001 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00001 -0.00001 0.00000 0.00000 158 2PX 0.00000 0.00001 -0.00002 0.00000 0.00000 159 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S -0.00003 0.00012 -0.00004 0.00000 0.00000 162 3PX -0.00007 0.00007 -0.00023 0.00000 0.00000 163 3PY -0.00004 0.00013 0.00002 0.00002 0.00000 164 3PZ 0.00000 0.00001 -0.00002 0.00001 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00001 0.00000 0.00000 0.00000 173 2PX 0.00001 0.00002 0.00000 0.00000 0.00000 174 2PY 0.00001 0.00003 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00004 0.00019 0.00001 0.00001 0.00000 177 3PX 0.00000 0.00011 -0.00007 0.00000 0.00000 178 3PY 0.00003 0.00052 0.00000 0.00001 0.00000 179 3PZ 0.00000 -0.00001 0.00000 0.00006 0.00000 180 4XX 0.00000 -0.00001 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 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 0.00009 0.00008 0.00007 -0.00002 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S -0.00003 -0.00004 -0.00002 -0.00001 0.00000 26 27 28 29 30 26 4YY 0.00185 27 4ZZ -0.00028 0.00134 28 4XY 0.00000 0.00000 0.00038 29 4XZ 0.00000 0.00000 0.00000 0.00090 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00071 31 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 32 2S 0.00000 0.00000 0.00000 0.00000 0.00000 33 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 34 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 35 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 36 3S 0.00002 0.00001 0.00000 0.00000 0.00000 37 3PX 0.00000 0.00000 -0.00001 0.00000 0.00000 38 3PY -0.00003 -0.00002 0.00000 0.00000 0.00000 39 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00004 40 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 41 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 42 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 43 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00003 -0.00001 0.00000 0.00000 0.00001 48 2PX 0.00000 0.00000 0.00001 0.00001 0.00000 49 2PY 0.00014 -0.00002 0.00000 0.00000 0.00009 50 2PZ 0.00001 0.00000 0.00000 0.00000 0.00000 51 3S 0.00044 -0.00011 0.00000 -0.00002 0.00013 52 3PX -0.00002 0.00003 0.00005 0.00010 0.00000 53 3PY 0.00071 -0.00016 0.00000 -0.00001 0.00016 54 3PZ 0.00000 0.00000 0.00001 0.00000 0.00002 55 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 56 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 57 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 H 1S -0.00001 0.00009 0.00000 0.00003 -0.00001 62 2S -0.00036 0.00050 0.00000 0.00013 -0.00003 63 6 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 64 2S -0.00002 0.00001 0.00000 0.00000 0.00000 65 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 0.00000 0.00000 0.00003 0.00000 67 2PX -0.00001 0.00001 0.00002 0.00011 0.00001 68 2PY 0.00000 0.00000 0.00000 0.00002 0.00000 69 2PZ 0.00000 0.00000 0.00001 0.00002 0.00001 70 3S -0.00014 0.00001 0.00002 0.00013 0.00000 71 3PX -0.00024 0.00010 0.00004 0.00025 0.00006 72 3PY 0.00000 -0.00004 0.00000 0.00005 -0.00001 73 3PZ -0.00005 -0.00002 0.00004 0.00003 0.00000 74 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 76 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 81 2S 0.00000 0.00000 0.00000 0.00000 0.00000 82 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 83 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 84 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 85 3S 0.00002 0.00000 0.00000 0.00001 0.00001 86 3PX -0.00002 0.00004 0.00001 0.00005 0.00001 87 3PY 0.00003 -0.00003 0.00000 -0.00003 0.00000 88 3PZ -0.00001 0.00001 0.00001 0.00001 0.00000 89 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 91 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 92 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00000 0.00000 0.00000 0.00000 97 10 H 1S 0.00749 -0.00121 0.00018 0.00001 0.00002 98 2S 0.00678 -0.00286 0.00003 0.00000 0.00001 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00001 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00005 -0.00001 0.00003 -0.00001 0.00002 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00027 -0.00006 0.00004 0.00000 0.00003 105 3PX -0.00001 -0.00001 0.00000 0.00000 0.00001 106 3PY 0.00057 -0.00012 0.00010 -0.00006 0.00008 107 3PZ 0.00002 0.00001 0.00001 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S -0.00002 0.00000 0.00000 0.00000 0.00000 116 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 117 2S -0.00002 0.00001 -0.00001 0.00000 0.00000 118 14 C 1S 0.00001 -0.00001 -0.00002 -0.00007 -0.00003 119 2S -0.00028 0.00022 0.00037 0.00108 0.00043 120 2PX -0.00027 0.00060 0.00020 0.00032 0.00066 121 2PY -0.00006 0.00030 0.00004 0.00059 0.00003 122 2PZ -0.00028 -0.00077 0.00058 0.00036 0.00028 123 3S -0.00156 0.00064 0.00018 0.00073 0.00027 124 3PX -0.00062 0.00079 0.00000 0.00000 0.00019 125 3PY -0.00036 0.00021 0.00009 0.00017 0.00005 126 3PZ -0.00059 -0.00074 0.00014 0.00000 0.00000 127 4XX -0.00002 -0.00009 -0.00001 0.00003 -0.00001 128 4YY 0.00002 -0.00003 0.00000 -0.00004 0.00000 129 4ZZ -0.00004 0.00005 -0.00002 -0.00001 -0.00002 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ -0.00002 -0.00002 0.00002 0.00002 0.00001 132 4YZ 0.00000 -0.00003 0.00000 0.00000 0.00000 133 15 H 1S 0.00000 0.00011 0.00000 0.00002 0.00000 134 2S -0.00014 0.00103 -0.00001 -0.00005 -0.00003 135 16 H 1S 0.00000 -0.00001 0.00000 0.00003 0.00000 136 2S -0.00012 -0.00025 -0.00002 0.00001 -0.00001 137 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.00000 0.00000 0.00000 0.00001 0.00000 140 2S -0.00001 0.00011 0.00000 0.00006 0.00000 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 148 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00000 0.00000 0.00000 177 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 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 2.05494 32 2S -0.01338 0.32600 33 2PX 0.00000 0.00000 0.34895 34 2PY 0.00000 0.00000 0.00000 0.41139 35 2PZ 0.00000 0.00000 0.00000 0.00000 0.39185 36 3S -0.03626 0.23450 0.00000 0.00000 0.00000 37 3PX 0.00000 0.00000 0.11484 0.00000 0.00000 38 3PY 0.00000 0.00000 0.00000 0.07562 0.00000 39 3PZ 0.00000 0.00000 0.00000 0.00000 0.09432 40 4XX -0.00092 -0.00901 0.00000 0.00000 0.00000 41 4YY -0.00146 0.00117 0.00000 0.00000 0.00000 42 4ZZ -0.00109 -0.00530 0.00000 0.00000 0.00000 43 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S 0.00000 -0.00055 -0.00010 -0.00069 -0.00217 47 2S -0.00060 0.01175 0.00158 0.00980 0.03226 48 2PX -0.00008 0.00109 0.01558 -0.00035 0.01189 49 2PY -0.00064 0.00958 0.00035 -0.00036 0.02711 50 2PZ -0.00230 0.03309 0.00938 0.02654 0.03730 51 3S 0.00057 0.00549 0.00072 0.01081 0.01332 52 3PX 0.00019 -0.00087 0.02581 -0.00098 0.00536 53 3PY -0.00040 0.00362 -0.00025 0.00130 0.01498 54 3PZ -0.00061 0.01568 0.00447 0.00875 0.00074 55 4XX 0.00001 -0.00036 0.00004 -0.00019 -0.00062 56 4YY 0.00001 -0.00045 -0.00002 -0.00027 -0.00070 57 4ZZ -0.00012 0.00170 0.00041 0.00200 -0.00077 58 4XY -0.00001 0.00010 0.00035 0.00000 0.00029 59 4XZ -0.00002 0.00017 0.00110 0.00021 0.00021 60 4YZ -0.00014 0.00145 0.00028 -0.00003 0.00176 61 5 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 0.00013 -0.00001 0.00019 0.00034 63 6 H 1S 0.00000 -0.00021 -0.00005 0.00000 -0.00066 64 2S 0.00026 -0.00353 -0.00095 0.00000 -0.01002 65 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 0.00000 0.00000 0.00000 0.00000 67 2PX 0.00000 -0.00001 0.00000 0.00000 0.00000 68 2PY 0.00000 0.00000 -0.00001 -0.00001 0.00000 69 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 70 3S 0.00000 -0.00024 -0.00001 -0.00053 0.00006 71 3PX 0.00001 -0.00037 -0.00015 -0.00023 -0.00034 72 3PY -0.00001 -0.00005 0.00030 -0.00029 0.00026 73 3PZ 0.00000 -0.00029 -0.00014 -0.00013 0.00002 74 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 76 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 81 2S 0.00000 -0.00009 0.00020 0.00001 0.00006 82 2PX 0.00000 0.00003 0.00187 0.00027 0.00077 83 2PY 0.00000 -0.00002 0.00023 -0.00001 0.00006 84 2PZ 0.00000 0.00007 0.00123 0.00012 0.00032 85 3S 0.00014 -0.00004 0.00261 0.00095 -0.00004 86 3PX 0.00009 -0.00126 0.00616 0.00128 0.00484 87 3PY 0.00000 -0.00033 0.00210 0.00017 0.00095 88 3PZ 0.00002 0.00072 0.00580 0.00057 0.00028 89 4XX 0.00000 0.00003 0.00008 0.00002 0.00007 90 4YY 0.00000 0.00000 -0.00001 0.00000 0.00000 91 4ZZ 0.00000 0.00000 -0.00002 0.00000 -0.00001 92 4XY 0.00000 0.00001 0.00002 0.00000 0.00001 93 4XZ 0.00000 0.00003 0.00011 0.00001 0.00003 94 4YZ 0.00000 0.00001 0.00001 0.00000 0.00000 95 9 H 1S -0.00197 0.03104 0.00169 0.09662 0.00025 96 2S -0.00122 0.01265 0.00088 0.06397 -0.00001 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 0.00002 0.00000 0.00006 0.00000 99 11 C 1S 0.00000 -0.00020 -0.00048 -0.00024 -0.00060 100 2S -0.00020 0.00515 0.00949 0.00422 0.01171 101 2PX -0.00064 0.01324 0.00745 0.00781 0.02214 102 2PY -0.00019 0.00379 0.00741 -0.00061 0.00603 103 2PZ -0.00062 0.01221 0.01973 0.00705 0.00977 104 3S 0.00028 0.00640 0.00841 0.01038 0.01788 105 3PX -0.00067 0.01063 -0.00107 0.00493 0.01371 106 3PY -0.00022 0.00174 0.00521 0.00043 0.00355 107 3PZ -0.00061 0.01010 0.01286 0.00454 -0.00081 108 4XX -0.00001 0.00020 -0.00058 0.00027 0.00081 109 4YY 0.00000 -0.00018 -0.00015 -0.00006 -0.00016 110 4ZZ -0.00001 0.00030 0.00102 0.00026 -0.00066 111 4XY -0.00003 0.00045 0.00019 0.00003 0.00068 112 4XZ -0.00007 0.00120 0.00038 0.00065 0.00044 113 4YZ -0.00003 0.00043 0.00066 0.00003 0.00025 114 12 H 1S 0.00000 -0.00014 -0.00004 0.00000 -0.00050 115 2S 0.00018 -0.00271 0.00023 -0.00011 -0.00843 116 13 H 1S 0.00000 -0.00018 -0.00038 -0.00001 -0.00009 117 2S 0.00017 -0.00314 -0.00668 -0.00010 -0.00069 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 -0.00002 -0.00002 -0.00008 -0.00002 120 2PX 0.00000 -0.00002 -0.00001 -0.00002 -0.00002 121 2PY 0.00000 -0.00011 -0.00011 -0.00027 -0.00006 122 2PZ 0.00000 -0.00002 -0.00002 -0.00003 -0.00001 123 3S -0.00001 -0.00053 0.00050 -0.00351 -0.00080 124 3PX 0.00000 -0.00025 0.00003 -0.00004 -0.00033 125 3PY 0.00009 -0.00230 -0.00058 -0.00465 -0.00096 126 3PZ 0.00000 -0.00033 0.00000 -0.00042 0.00003 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00001 0.00001 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00001 0.00000 0.00002 0.00001 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00001 0.00001 0.00001 133 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00008 0.00000 0.00015 0.00016 135 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 136 2S 0.00000 0.00006 0.00021 0.00010 0.00001 137 17 H 1S 0.00000 -0.00002 -0.00004 0.00000 -0.00005 138 2S 0.00003 -0.00061 -0.00176 -0.00001 -0.00194 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00000 0.00001 0.00005 0.00004 0.00005 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 148 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 -0.00001 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 -0.00007 -0.00041 0.00000 0.00000 162 3PX 0.00000 -0.00022 -0.00135 -0.00002 -0.00006 163 3PY 0.00000 0.00000 0.00001 -0.00001 0.00000 164 3PZ 0.00000 -0.00002 -0.00019 0.00000 0.00006 165 4XX 0.00000 0.00000 0.00001 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00002 0.00000 0.00000 177 3PX 0.00000 0.00001 0.00001 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00005 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 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 0.29356 37 3PX 0.00000 0.13458 38 3PY 0.00000 0.00000 0.05436 39 3PZ 0.00000 0.00000 0.00000 0.08688 40 4XX -0.00634 0.00000 0.00000 0.00000 0.00127 41 4YY 0.00257 0.00000 0.00000 0.00000 -0.00013 42 4ZZ -0.00501 0.00000 0.00000 0.00000 0.00007 43 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S -0.00073 0.00003 -0.00067 -0.00155 0.00001 47 2S 0.01369 -0.00012 0.00769 0.01811 -0.00053 48 2PX 0.00012 0.02858 -0.00075 0.00651 0.00006 49 2PY 0.00627 -0.00001 -0.00083 0.01221 -0.00020 50 2PZ 0.03439 0.00427 0.01066 0.00354 -0.00091 51 3S -0.01157 0.00067 0.00480 0.00210 -0.00040 52 3PX -0.00246 0.04680 -0.00117 0.00505 -0.00018 53 3PY 0.00205 -0.00111 0.00079 0.01102 -0.00046 54 3PZ 0.01607 0.00456 0.00413 0.00065 -0.00021 55 4XX -0.00084 -0.00011 -0.00027 -0.00018 0.00002 56 4YY -0.00065 -0.00014 -0.00054 -0.00048 -0.00001 57 4ZZ 0.00204 0.00051 0.00077 -0.00084 0.00001 58 4XY 0.00005 0.00034 0.00000 0.00009 0.00000 59 4XZ 0.00000 0.00069 0.00000 0.00003 0.00000 60 4YZ 0.00074 0.00003 0.00005 0.00010 -0.00005 61 5 H 1S 0.00011 0.00000 0.00005 0.00019 0.00000 62 2S 0.00160 -0.00013 0.00099 0.00242 0.00000 63 6 H 1S -0.00370 0.00035 -0.00008 -0.00328 0.00001 64 2S -0.01436 0.00090 -0.00023 -0.01419 0.00032 65 7 C 1S 0.00000 0.00001 0.00000 0.00000 0.00000 66 2S -0.00003 -0.00021 -0.00001 -0.00009 0.00000 67 2PX 0.00006 -0.00027 0.00037 0.00001 0.00000 68 2PY -0.00004 -0.00041 0.00007 -0.00034 0.00000 69 2PZ -0.00007 -0.00043 0.00017 0.00000 0.00000 70 3S -0.00063 -0.00028 -0.00030 0.00002 0.00000 71 3PX 0.00011 -0.00120 0.00116 -0.00058 0.00001 72 3PY -0.00066 0.00185 -0.00036 0.00013 0.00000 73 3PZ -0.00048 -0.00121 0.00043 -0.00007 0.00003 74 4XX 0.00001 -0.00002 0.00003 0.00000 0.00000 75 4YY 0.00001 0.00001 0.00001 0.00000 0.00000 76 4ZZ 0.00000 0.00001 -0.00002 0.00000 0.00000 77 4XY 0.00000 0.00006 0.00002 0.00004 0.00000 78 4XZ 0.00000 -0.00002 0.00001 0.00000 0.00000 79 4YZ 0.00001 0.00006 0.00001 0.00001 0.00000 80 8 C 1S 0.00005 0.00000 -0.00001 -0.00008 0.00000 81 2S -0.00009 0.00035 0.00032 0.00091 0.00002 82 2PX -0.00022 0.00670 0.00053 0.00443 0.00007 83 2PY -0.00008 0.00092 0.00001 0.00082 0.00002 84 2PZ 0.00158 0.00586 0.00076 0.00060 0.00005 85 3S 0.00281 0.00466 0.00185 0.00257 0.00019 86 3PX -0.00116 0.00920 0.00120 0.00994 0.00050 87 3PY -0.00008 0.00427 -0.00005 0.00215 0.00013 88 3PZ 0.00367 0.01035 0.00121 -0.00078 0.00022 89 4XX 0.00050 0.00053 0.00019 0.00046 0.00000 90 4YY -0.00008 -0.00013 -0.00002 -0.00009 0.00000 91 4ZZ -0.00023 -0.00020 -0.00011 -0.00011 0.00000 92 4XY -0.00001 0.00005 0.00004 0.00003 0.00000 93 4XZ 0.00008 0.00028 0.00004 0.00003 0.00000 94 4YZ 0.00002 0.00007 0.00000 0.00000 0.00000 95 9 H 1S 0.04211 0.00016 0.04339 0.00025 -0.00100 96 2S 0.02299 -0.00061 0.04211 -0.00009 -0.00193 97 10 H 1S 0.00000 0.00000 -0.00002 0.00000 0.00000 98 2S 0.00022 0.00003 -0.00012 0.00001 0.00000 99 11 C 1S 0.00005 -0.00012 -0.00021 -0.00038 -0.00002 100 2S 0.00399 0.00415 0.00297 0.00604 0.00042 101 2PX 0.01012 -0.00083 0.00089 0.01048 -0.00061 102 2PY 0.00280 0.00414 -0.00148 0.00316 0.00035 103 2PZ 0.01394 0.00690 0.00184 -0.00057 0.00093 104 3S -0.00481 -0.00513 0.00621 0.01217 0.00131 105 3PX 0.00531 -0.00501 0.00062 0.00828 -0.00060 106 3PY 0.00027 0.00441 -0.00069 0.00153 0.00037 107 3PZ 0.00943 0.00661 0.00083 -0.00343 0.00097 108 4XX 0.00088 -0.00132 0.00038 0.00124 0.00005 109 4YY -0.00034 0.00012 -0.00035 -0.00033 -0.00003 110 4ZZ -0.00007 0.00173 0.00001 -0.00087 -0.00010 111 4XY 0.00016 0.00000 0.00014 0.00018 -0.00003 112 4XZ 0.00057 0.00000 0.00006 0.00000 -0.00003 113 4YZ 0.00022 0.00015 0.00011 0.00000 0.00001 114 12 H 1S -0.00280 0.00059 0.00001 -0.00303 -0.00001 115 2S -0.01128 0.00426 -0.00019 -0.01434 -0.00034 116 13 H 1S -0.00075 -0.00496 0.00025 -0.00047 0.00013 117 2S -0.00116 -0.01771 0.00063 0.00030 0.00093 118 14 C 1S 0.00000 0.00000 0.00004 0.00003 0.00000 119 2S -0.00029 -0.00019 -0.00092 -0.00047 0.00000 120 2PX 0.00030 0.00004 0.00112 -0.00065 0.00000 121 2PY -0.00115 -0.00077 -0.00109 -0.00094 -0.00001 122 2PZ -0.00023 -0.00017 0.00066 0.00002 0.00000 123 3S -0.00131 0.00307 -0.00620 -0.00390 -0.00008 124 3PX 0.00110 0.00056 0.00211 -0.00137 0.00000 125 3PY -0.00452 -0.00001 -0.00397 -0.00237 -0.00013 126 3PZ -0.00082 -0.00001 0.00054 0.00059 -0.00002 127 4XX -0.00002 0.00010 0.00000 -0.00002 0.00000 128 4YY 0.00002 -0.00010 0.00004 0.00003 0.00000 129 4ZZ 0.00001 -0.00008 -0.00003 0.00003 0.00000 130 4XY 0.00001 0.00000 0.00000 0.00006 0.00000 131 4XZ -0.00001 0.00000 0.00002 0.00000 0.00000 132 4YZ 0.00004 0.00005 0.00002 0.00000 0.00000 133 15 H 1S 0.00005 0.00000 -0.00004 0.00007 0.00000 134 2S 0.00050 -0.00026 -0.00014 0.00109 0.00001 135 16 H 1S -0.00003 0.00020 -0.00011 0.00004 0.00000 136 2S -0.00016 0.00182 -0.00020 0.00028 0.00000 137 17 H 1S -0.00085 -0.00135 -0.00001 -0.00053 0.00000 138 2S -0.00506 -0.00782 -0.00004 -0.00548 -0.00003 139 18 H 1S 0.00001 0.00004 -0.00001 0.00002 0.00000 140 2S 0.00013 0.00076 -0.00011 0.00058 0.00000 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00001 -0.00001 0.00000 0.00000 143 2PX 0.00000 0.00001 -0.00002 0.00000 0.00000 144 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S -0.00003 0.00012 -0.00004 0.00000 0.00000 147 3PX -0.00007 0.00007 -0.00023 0.00000 0.00000 148 3PY -0.00004 0.00013 0.00002 0.00002 0.00000 149 3PZ 0.00000 0.00001 -0.00002 0.00001 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00001 0.00000 0.00000 0.00000 157 2S 0.00003 -0.00020 0.00002 -0.00005 0.00000 158 2PX -0.00041 -0.00134 -0.00007 -0.00013 0.00000 159 2PY -0.00001 0.00003 -0.00003 0.00000 0.00000 160 2PZ -0.00010 -0.00016 -0.00002 0.00014 0.00000 161 3S -0.00081 -0.00262 0.00001 -0.00035 0.00000 162 3PX -0.00356 -0.00698 -0.00044 -0.00073 0.00005 163 3PY -0.00006 0.00021 -0.00023 -0.00002 0.00000 164 3PZ -0.00072 -0.00104 -0.00009 0.00126 0.00001 165 4XX 0.00001 0.00023 0.00000 0.00002 0.00000 166 4YY 0.00002 -0.00004 0.00000 0.00000 0.00000 167 4ZZ 0.00002 -0.00002 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00001 -0.00001 0.00000 0.00000 169 4XZ 0.00000 0.00002 0.00000 -0.00001 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00001 0.00000 0.00000 0.00000 173 2PX 0.00001 0.00002 0.00000 0.00000 0.00000 174 2PY 0.00001 0.00003 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00004 0.00019 0.00001 0.00001 0.00000 177 3PX 0.00000 0.00011 -0.00007 0.00000 0.00000 178 3PY 0.00003 0.00052 0.00000 0.00001 0.00000 179 3PZ 0.00000 -0.00001 0.00000 0.00006 0.00000 180 4XX 0.00000 -0.00001 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 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 0.00009 0.00008 0.00007 -0.00002 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S -0.00003 -0.00004 -0.00002 -0.00001 0.00000 41 42 43 44 45 41 4YY 0.00185 42 4ZZ -0.00028 0.00134 43 4XY 0.00000 0.00000 0.00038 44 4XZ 0.00000 0.00000 0.00000 0.00090 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00071 46 4 C 1S 0.00002 -0.00014 -0.00001 -0.00002 -0.00013 47 2S -0.00045 0.00189 0.00009 0.00017 0.00141 48 2PX -0.00001 0.00050 0.00029 0.00134 0.00027 49 2PY -0.00025 0.00199 0.00000 0.00012 -0.00004 50 2PZ -0.00035 -0.00092 0.00026 0.00019 0.00193 51 3S -0.00145 0.00253 0.00003 0.00004 0.00037 52 3PX -0.00002 0.00048 0.00021 0.00103 0.00002 53 3PY -0.00041 0.00106 -0.00001 -0.00002 -0.00001 54 3PZ -0.00028 -0.00076 0.00004 0.00003 0.00005 55 4XX 0.00000 -0.00002 0.00000 0.00000 -0.00004 56 4YY 0.00004 -0.00012 0.00000 -0.00002 0.00000 57 4ZZ -0.00017 0.00004 0.00000 0.00004 -0.00008 58 4XY 0.00000 -0.00002 0.00000 -0.00001 0.00000 59 4XZ -0.00004 0.00005 0.00002 -0.00003 -0.00001 60 4YZ 0.00001 -0.00009 0.00000 -0.00003 0.00002 61 5 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S -0.00002 0.00001 0.00000 0.00000 0.00000 63 6 H 1S -0.00001 0.00009 0.00000 0.00003 -0.00001 64 2S -0.00036 0.00050 0.00000 0.00013 -0.00004 65 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 0.00000 0.00000 0.00000 0.00000 67 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 68 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 69 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 70 3S 0.00002 0.00000 0.00000 0.00001 0.00001 71 3PX -0.00002 0.00004 0.00001 0.00005 0.00001 72 3PY 0.00003 -0.00003 0.00000 -0.00003 0.00000 73 3PZ -0.00001 0.00001 0.00001 0.00001 0.00000 74 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 76 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 81 2S 0.00000 0.00000 0.00000 0.00003 0.00000 82 2PX -0.00001 0.00001 0.00002 0.00011 0.00001 83 2PY 0.00000 0.00000 0.00000 0.00002 0.00000 84 2PZ 0.00000 0.00000 0.00001 0.00002 0.00001 85 3S -0.00014 0.00001 0.00002 0.00013 0.00000 86 3PX -0.00024 0.00010 0.00004 0.00025 0.00006 87 3PY 0.00000 -0.00004 0.00000 0.00005 -0.00001 88 3PZ -0.00005 -0.00002 0.00004 0.00003 0.00000 89 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 91 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 92 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 9 H 1S 0.00749 -0.00121 0.00018 0.00001 0.00002 96 2S 0.00678 -0.00286 0.00003 0.00000 0.00001 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00001 -0.00001 -0.00002 -0.00007 -0.00003 100 2S -0.00028 0.00022 0.00037 0.00108 0.00043 101 2PX -0.00027 0.00060 0.00020 0.00032 0.00066 102 2PY -0.00006 0.00030 0.00004 0.00059 0.00003 103 2PZ -0.00028 -0.00077 0.00058 0.00036 0.00028 104 3S -0.00156 0.00064 0.00018 0.00073 0.00027 105 3PX -0.00062 0.00079 0.00000 0.00000 0.00019 106 3PY -0.00036 0.00021 0.00009 0.00017 0.00005 107 3PZ -0.00059 -0.00074 0.00014 0.00000 0.00000 108 4XX -0.00002 -0.00009 -0.00001 0.00003 -0.00001 109 4YY 0.00002 -0.00003 0.00000 -0.00004 0.00000 110 4ZZ -0.00004 0.00005 -0.00002 -0.00001 -0.00002 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ -0.00002 -0.00002 0.00002 0.00002 0.00001 113 4YZ 0.00000 -0.00003 0.00000 0.00000 0.00000 114 12 H 1S 0.00000 0.00011 0.00000 0.00002 0.00000 115 2S -0.00014 0.00103 -0.00001 -0.00005 -0.00003 116 13 H 1S 0.00000 -0.00001 0.00000 0.00003 0.00000 117 2S -0.00012 -0.00025 -0.00002 0.00001 -0.00001 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00001 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00005 -0.00001 0.00003 -0.00001 0.00002 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00027 -0.00006 0.00004 0.00000 0.00003 124 3PX -0.00001 -0.00001 0.00000 0.00000 0.00001 125 3PY 0.00057 -0.00012 0.00010 -0.00006 0.00008 126 3PZ 0.00002 0.00001 0.00001 0.00000 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S -0.00002 0.00000 0.00000 0.00000 0.00000 135 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 136 2S -0.00002 0.00001 -0.00001 0.00000 0.00000 137 17 H 1S 0.00000 0.00000 0.00000 0.00001 0.00000 138 2S -0.00001 0.00011 0.00000 0.00006 0.00000 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00000 0.00000 0.00000 0.00000 0.00000 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 148 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00000 0.00000 0.00000 177 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 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 C 1S 2.05282 47 2S -0.01370 0.32755 48 2PX 0.00000 0.00000 0.35515 49 2PY 0.00000 0.00000 0.00000 0.41443 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.40212 51 3S -0.02917 0.19680 0.00000 0.00000 0.00000 52 3PX 0.00000 0.00000 0.12497 0.00000 0.00000 53 3PY 0.00000 0.00000 0.00000 0.07776 0.00000 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.06992 55 4XX -0.00098 -0.00926 0.00000 0.00000 0.00000 56 4YY -0.00134 -0.00220 0.00000 0.00000 0.00000 57 4ZZ -0.00141 -0.00118 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 -0.00017 -0.00001 -0.00057 -0.00013 62 2S 0.00019 -0.00255 -0.00037 -0.00816 -0.00201 63 6 H 1S -0.00201 0.03151 0.01630 0.02419 0.05812 64 2S -0.00121 0.01248 0.01123 0.01526 0.03819 65 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 0.00000 0.00000 0.00000 0.00000 67 2PX 0.00000 0.00000 -0.00001 0.00000 -0.00001 68 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 69 2PZ 0.00000 0.00000 -0.00002 0.00000 -0.00001 70 3S 0.00000 -0.00015 -0.00017 -0.00004 -0.00040 71 3PX 0.00000 0.00000 -0.00053 -0.00022 -0.00056 72 3PY 0.00000 -0.00010 0.00037 0.00003 0.00002 73 3PZ 0.00000 -0.00019 -0.00080 -0.00008 -0.00077 74 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 76 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 81 2S 0.00000 0.00000 -0.00001 0.00000 -0.00002 82 2PX 0.00000 -0.00001 -0.00002 0.00000 -0.00004 83 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 84 2PZ 0.00000 -0.00002 0.00000 0.00000 -0.00004 85 3S 0.00001 0.00008 -0.00034 0.00000 0.00017 86 3PX 0.00002 -0.00065 -0.00035 0.00000 -0.00158 87 3PY 0.00000 0.00000 0.00000 -0.00004 -0.00001 88 3PZ 0.00004 -0.00032 -0.00045 0.00000 0.00009 89 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 91 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 92 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XZ 0.00000 0.00000 0.00001 0.00000 0.00001 94 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 9 H 1S 0.00000 -0.00019 0.00000 -0.00048 -0.00026 96 2S 0.00019 -0.00279 0.00008 -0.00661 -0.00295 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 0.00013 0.00000 0.00052 0.00003 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 -0.00004 -0.00006 0.00000 -0.00014 101 2PX 0.00000 -0.00006 0.00004 0.00000 -0.00026 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 -0.00018 -0.00015 0.00000 -0.00039 104 3S 0.00004 -0.00071 -0.00205 0.00001 -0.00159 105 3PX 0.00004 -0.00086 0.00011 0.00003 -0.00298 106 3PY 0.00000 0.00003 0.00004 0.00013 0.00007 107 3PZ 0.00012 -0.00201 -0.00037 -0.00001 -0.00290 108 4XX 0.00000 0.00000 -0.00001 0.00000 0.00001 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00002 0.00006 0.00000 0.00004 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00003 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00014 0.00018 0.00002 0.00021 116 13 H 1S 0.00000 0.00000 -0.00001 0.00000 0.00000 117 2S 0.00000 -0.00004 -0.00059 0.00000 0.00019 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 -0.00001 0.00000 121 2PY 0.00000 0.00000 0.00001 0.00001 -0.00002 122 2PZ 0.00000 -0.00001 -0.00001 -0.00002 0.00000 123 3S 0.00002 -0.00042 -0.00012 -0.00033 -0.00038 124 3PX 0.00001 -0.00016 -0.00001 -0.00039 0.00004 125 3PY 0.00001 -0.00023 0.00041 0.00008 -0.00088 126 3PZ 0.00001 -0.00023 0.00000 -0.00044 -0.00001 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 135 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 136 2S 0.00000 0.00001 0.00010 -0.00001 -0.00002 137 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00003 -0.00008 0.00000 0.00002 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00000 0.00000 0.00002 0.00001 0.00001 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3PX 0.00000 0.00000 0.00003 0.00000 0.00001 148 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 149 3PZ 0.00000 0.00000 0.00003 0.00000 0.00001 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 -0.00002 -0.00015 0.00000 -0.00006 162 3PX 0.00000 -0.00007 -0.00015 0.00000 -0.00006 163 3PY 0.00000 0.00000 -0.00004 0.00000 -0.00001 164 3PZ 0.00000 -0.00004 -0.00005 -0.00001 0.00002 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 -0.00002 0.00000 0.00000 177 3PX 0.00000 0.00000 0.00023 0.00000 0.00003 178 3PY 0.00000 0.00000 0.00003 0.00000 0.00000 179 3PZ 0.00000 0.00000 -0.00002 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 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 0.00004 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 0.23666 52 3PX 0.00000 0.14682 53 3PY 0.00000 0.00000 0.05806 54 3PZ 0.00000 0.00000 0.00000 0.05819 55 4XX -0.00540 0.00000 0.00000 0.00000 0.00073 56 4YY -0.00177 0.00000 0.00000 0.00000 0.00004 57 4ZZ 0.00011 0.00000 0.00000 0.00000 0.00008 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 -0.00414 0.00006 -0.00333 0.00017 0.00000 62 2S -0.01645 -0.00017 -0.01333 0.00033 0.00010 63 6 H 1S 0.04222 0.00788 0.00985 0.02404 -0.00036 64 2S 0.03625 0.00865 0.00742 0.01857 0.00032 65 7 C 1S 0.00000 0.00001 0.00000 0.00001 0.00000 66 2S 0.00000 -0.00029 -0.00003 -0.00023 0.00000 67 2PX -0.00010 -0.00048 -0.00026 -0.00085 0.00000 68 2PY -0.00008 0.00014 0.00002 0.00001 0.00000 69 2PZ -0.00011 -0.00123 -0.00039 -0.00084 0.00000 70 3S -0.00079 -0.00156 -0.00041 -0.00183 0.00000 71 3PX -0.00069 -0.00149 -0.00149 -0.00411 0.00000 72 3PY -0.00029 0.00180 0.00008 0.00119 0.00000 73 3PZ -0.00045 -0.00467 -0.00119 -0.00299 0.00001 74 4XX 0.00000 -0.00001 -0.00001 -0.00002 0.00000 75 4YY 0.00000 0.00000 0.00000 -0.00001 0.00000 76 4ZZ 0.00001 0.00006 0.00001 0.00005 0.00000 77 4XY 0.00000 -0.00001 0.00000 0.00000 0.00000 78 4XZ -0.00001 0.00000 -0.00001 -0.00001 0.00000 79 4YZ 0.00000 -0.00001 0.00000 -0.00001 0.00000 80 8 C 1S 0.00000 0.00002 0.00000 0.00002 0.00000 81 2S -0.00003 -0.00059 0.00000 -0.00062 0.00000 82 2PX 0.00036 -0.00051 0.00000 -0.00031 0.00000 83 2PY 0.00000 0.00000 0.00009 0.00000 0.00000 84 2PZ 0.00011 -0.00063 0.00000 -0.00069 0.00000 85 3S 0.00047 -0.00225 0.00000 -0.00168 0.00000 86 3PX 0.00174 -0.00125 0.00000 -0.00234 0.00000 87 3PY 0.00000 0.00000 -0.00020 -0.00001 0.00000 88 3PZ 0.00066 -0.00274 0.00000 -0.00122 -0.00003 89 4XX -0.00004 0.00004 0.00000 -0.00005 0.00000 90 4YY 0.00000 -0.00003 0.00000 -0.00002 0.00000 91 4ZZ 0.00007 0.00008 0.00000 0.00014 0.00000 92 4XY 0.00000 0.00000 -0.00001 0.00000 0.00000 93 4XZ 0.00000 0.00008 0.00000 0.00008 0.00000 94 4YZ 0.00000 0.00000 -0.00002 0.00000 0.00000 95 9 H 1S -0.00397 0.00003 -0.00003 -0.00158 0.00000 96 2S -0.01341 0.00028 -0.00224 -0.00516 0.00000 97 10 H 1S 0.00014 0.00000 0.00034 -0.00001 0.00000 98 2S 0.00203 -0.00002 0.00381 0.00011 0.00000 99 11 C 1S 0.00002 0.00006 0.00000 0.00005 0.00000 100 2S -0.00047 -0.00094 -0.00004 -0.00079 0.00000 101 2PX 0.00037 0.00032 -0.00004 0.00003 0.00000 102 2PY -0.00002 0.00002 0.00017 -0.00003 0.00000 103 2PZ -0.00145 -0.00148 -0.00017 -0.00112 0.00001 104 3S 0.00196 -0.00722 -0.00019 0.00182 0.00005 105 3PX 0.00125 -0.00006 -0.00003 -0.00127 0.00003 106 3PY 0.00007 0.00010 0.00107 0.00000 0.00000 107 3PZ -0.00137 -0.00113 -0.00025 -0.00149 0.00014 108 4XX -0.00003 -0.00023 -0.00001 0.00016 0.00000 109 4YY -0.00007 0.00001 0.00000 -0.00010 0.00000 110 4ZZ 0.00018 0.00049 0.00002 0.00005 0.00000 111 4XY 0.00000 0.00000 -0.00002 0.00000 0.00000 112 4XZ 0.00002 0.00000 0.00000 0.00008 0.00000 113 4YZ 0.00000 0.00000 -0.00005 0.00000 0.00000 114 12 H 1S 0.00005 0.00007 0.00004 0.00006 0.00000 115 2S 0.00085 0.00129 0.00040 0.00019 0.00000 116 13 H 1S -0.00013 -0.00083 -0.00001 0.00002 0.00000 117 2S -0.00096 -0.00342 -0.00002 0.00000 0.00000 118 14 C 1S 0.00002 0.00001 0.00001 0.00001 0.00000 119 2S -0.00038 -0.00025 -0.00015 -0.00013 0.00000 120 2PX -0.00067 -0.00013 -0.00021 -0.00049 0.00000 121 2PY -0.00021 0.00023 0.00009 -0.00050 0.00000 122 2PZ -0.00082 -0.00037 -0.00079 -0.00015 0.00000 123 3S -0.00472 -0.00083 -0.00209 -0.00150 0.00002 124 3PX -0.00270 0.00002 -0.00093 -0.00135 0.00000 125 3PY -0.00122 0.00171 -0.00003 -0.00232 0.00000 126 3PZ -0.00311 -0.00033 -0.00223 -0.00045 0.00002 127 4XX -0.00001 0.00002 -0.00005 -0.00002 0.00000 128 4YY 0.00001 -0.00003 0.00003 -0.00001 0.00000 129 4ZZ 0.00003 -0.00001 0.00002 0.00006 0.00000 130 4XY 0.00001 0.00000 0.00000 0.00002 0.00000 131 4XZ -0.00003 0.00000 -0.00002 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00002 -0.00001 0.00000 133 15 H 1S 0.00001 0.00000 0.00002 0.00001 0.00000 134 2S 0.00032 0.00000 0.00031 0.00023 0.00000 135 16 H 1S 0.00004 0.00007 -0.00002 0.00004 0.00000 136 2S 0.00062 0.00138 -0.00036 -0.00003 0.00000 137 17 H 1S 0.00002 -0.00006 0.00002 -0.00001 0.00000 138 2S 0.00022 -0.00057 0.00020 -0.00001 0.00000 139 18 H 1S 0.00000 0.00001 0.00001 0.00001 0.00000 140 2S 0.00014 0.00029 0.00024 0.00042 0.00000 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00001 0.00001 0.00000 0.00001 0.00000 143 2PX 0.00001 0.00006 0.00001 0.00004 0.00000 144 2PY 0.00001 0.00000 0.00000 0.00001 0.00000 145 2PZ -0.00001 0.00007 0.00000 0.00001 0.00000 146 3S 0.00005 -0.00003 0.00000 0.00006 0.00000 147 3PX 0.00010 0.00072 0.00007 0.00039 0.00000 148 3PY 0.00009 -0.00021 -0.00002 0.00002 0.00000 149 3PZ -0.00006 0.00090 0.00005 0.00010 0.00000 150 4XX 0.00000 -0.00002 -0.00001 -0.00001 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00001 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S -0.00004 -0.00009 0.00000 -0.00004 0.00000 158 2PX 0.00012 -0.00009 -0.00001 0.00012 0.00000 159 2PY 0.00000 -0.00003 -0.00001 -0.00001 0.00000 160 2PZ 0.00015 0.00008 -0.00003 0.00015 0.00000 161 3S -0.00009 -0.00141 -0.00002 -0.00037 0.00000 162 3PX 0.00108 0.00001 -0.00010 0.00099 0.00001 163 3PY 0.00004 -0.00038 -0.00009 -0.00013 0.00000 164 3PZ 0.00114 0.00081 -0.00014 0.00065 0.00001 165 4XX 0.00001 0.00001 0.00000 0.00001 0.00000 166 4YY 0.00000 -0.00003 0.00000 -0.00001 0.00000 167 4ZZ -0.00001 0.00003 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00004 0.00000 0.00001 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 -0.00007 0.00000 -0.00001 0.00000 173 2PX 0.00000 -0.00005 0.00000 -0.00001 0.00000 174 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 175 2PZ -0.00001 -0.00001 0.00000 0.00000 0.00000 176 3S 0.00002 -0.00040 -0.00002 -0.00009 0.00000 177 3PX 0.00002 0.00174 0.00003 0.00031 0.00000 178 3PY 0.00003 0.00024 -0.00004 0.00005 0.00000 179 3PZ 0.00003 0.00002 0.00002 0.00000 0.00000 180 4XX 0.00000 0.00001 0.00000 0.00001 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S -0.00001 -0.00002 0.00000 0.00000 0.00000 187 2S -0.00022 0.00020 -0.00001 -0.00002 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00001 0.00011 0.00000 0.00004 0.00000 56 57 58 59 60 56 4YY 0.00115 57 4ZZ -0.00018 0.00110 58 4XY 0.00000 0.00000 0.00077 59 4XZ 0.00000 0.00000 0.00000 0.00070 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00134 61 5 H 1S 0.00002 0.00000 0.00002 0.00000 0.00006 62 2S -0.00017 0.00015 0.00009 0.00000 0.00029 63 6 H 1S -0.00081 0.00181 0.00071 0.00150 0.00268 64 2S -0.00130 0.00240 0.00016 0.00026 0.00061 65 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 0.00000 0.00000 0.00000 0.00000 67 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 68 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 69 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 70 3S 0.00001 0.00000 0.00000 0.00000 0.00001 71 3PX 0.00000 0.00001 0.00000 0.00000 -0.00001 72 3PY 0.00000 -0.00001 0.00000 0.00000 0.00000 73 3PZ 0.00000 0.00001 0.00000 0.00001 0.00001 74 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 76 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 81 2S 0.00000 0.00000 0.00000 0.00000 0.00000 82 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 83 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 84 2PZ 0.00000 0.00001 0.00000 0.00001 0.00000 85 3S -0.00002 0.00006 0.00000 0.00002 0.00000 86 3PX -0.00003 0.00014 0.00000 0.00005 0.00000 87 3PY 0.00000 0.00000 0.00002 0.00000 0.00000 88 3PZ -0.00004 0.00012 0.00000 0.00010 0.00000 89 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 91 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 92 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 9 H 1S 0.00009 -0.00003 0.00000 0.00000 0.00006 96 2S 0.00098 -0.00058 0.00001 -0.00001 0.00016 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S -0.00001 0.00000 0.00000 0.00000 -0.00001 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00001 0.00000 0.00001 0.00000 101 2PX 0.00000 0.00003 0.00000 0.00002 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00004 0.00000 0.00004 0.00000 104 3S -0.00012 0.00023 0.00000 0.00007 -0.00001 105 3PX -0.00008 0.00023 0.00000 0.00004 -0.00001 106 3PY 0.00000 0.00000 0.00002 0.00000 -0.00006 107 3PZ -0.00013 0.00024 0.00000 0.00016 -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 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 -0.00002 0.00000 0.00000 0.00000 116 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 117 2S 0.00000 0.00001 -0.00001 -0.00003 0.00000 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00003 -0.00003 -0.00002 0.00001 -0.00001 124 3PX -0.00001 0.00002 0.00000 0.00000 -0.00002 125 3PY 0.00004 -0.00006 0.00000 -0.00001 0.00000 126 3PZ -0.00001 -0.00001 0.00000 0.00001 -0.00002 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 136 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 137 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00000 0.00000 0.00000 0.00000 0.00000 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 148 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 -0.00002 0.00000 -0.00001 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00000 0.00000 0.00000 177 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 61 62 63 64 65 61 5 H 1S 0.21724 62 2S 0.11525 0.16429 63 6 H 1S -0.00001 -0.00090 0.21724 64 2S -0.00090 -0.00524 0.11525 0.16428 65 7 C 1S 0.00000 0.00000 0.00000 0.00000 2.05261 66 2S 0.00000 0.00001 0.00000 0.00000 -0.01388 67 2PX 0.00000 0.00003 0.00000 0.00000 0.00000 68 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 69 2PZ 0.00000 0.00005 0.00000 -0.00001 0.00000 70 3S -0.00001 -0.00029 0.00000 0.00012 -0.03169 71 3PX 0.00003 0.00045 0.00000 -0.00010 0.00000 72 3PY 0.00001 0.00014 0.00000 0.00017 0.00000 73 3PZ -0.00004 -0.00034 0.00001 0.00006 0.00000 74 4XX 0.00000 0.00000 0.00000 0.00000 -0.00098 75 4YY 0.00000 0.00000 0.00000 0.00000 -0.00136 76 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00119 77 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 81 2S 0.00000 0.00000 0.00000 0.00001 -0.00066 82 2PX 0.00000 0.00000 0.00000 0.00003 0.00000 83 2PY 0.00000 0.00000 0.00000 0.00000 -0.00298 84 2PZ 0.00000 -0.00001 0.00000 0.00005 0.00000 85 3S 0.00000 0.00012 -0.00001 -0.00029 0.00022 86 3PX 0.00000 -0.00010 0.00003 0.00045 0.00000 87 3PY 0.00000 0.00017 0.00001 0.00014 -0.00027 88 3PZ 0.00001 0.00006 -0.00004 -0.00034 0.00000 89 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YY 0.00000 0.00000 0.00000 0.00000 -0.00028 91 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 92 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 9 H 1S 0.00000 0.00000 -0.00002 -0.00105 0.00000 96 2S 0.00000 -0.00014 -0.00108 -0.00576 0.00000 97 10 H 1S -0.00002 -0.00105 0.00000 0.00000 0.00000 98 2S -0.00108 -0.00576 0.00000 -0.00014 0.00001 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00008 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00013 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00001 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00027 0.00000 104 3S 0.00000 0.00001 0.00008 0.00142 0.00000 105 3PX 0.00000 -0.00003 0.00010 0.00127 0.00000 106 3PY 0.00000 -0.00001 0.00002 0.00016 0.00000 107 3PZ 0.00000 -0.00009 0.00012 0.00197 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 -0.00002 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 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00002 0.00000 -0.00018 0.00000 116 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 117 2S 0.00000 0.00000 0.00000 -0.00006 0.00000 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00008 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00013 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00027 0.00000 0.00000 0.00000 123 3S 0.00008 0.00142 0.00000 0.00001 0.00002 124 3PX 0.00010 0.00127 0.00000 -0.00003 0.00005 125 3PY 0.00002 0.00016 0.00000 -0.00001 0.00000 126 3PZ 0.00012 0.00196 0.00000 -0.00009 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 -0.00002 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 -0.00018 0.00000 0.00002 0.00000 135 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 136 2S 0.00000 -0.00006 0.00000 0.00000 0.00000 137 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00001 0.00000 -0.00010 0.00025 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00228 140 2S 0.00000 -0.00010 0.00000 0.00001 -0.00156 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 -0.00002 143 2PX 0.00000 0.00000 0.00000 0.00000 -0.00023 144 2PY 0.00000 0.00000 0.00000 0.00000 -0.00005 145 2PZ 0.00000 0.00003 0.00000 0.00000 -0.00013 146 3S 0.00000 0.00019 0.00000 -0.00001 0.00037 147 3PX -0.00001 0.00014 0.00000 0.00000 -0.00205 148 3PY 0.00000 0.00000 0.00000 0.00000 -0.00079 149 3PZ -0.00002 0.00013 0.00000 -0.00001 -0.00126 150 4XX 0.00000 0.00000 0.00000 0.00000 -0.00006 151 4YY 0.00000 0.00000 0.00000 0.00000 -0.00001 152 4ZZ 0.00000 -0.00001 0.00000 0.00000 -0.00002 153 4XY 0.00000 0.00000 0.00000 0.00000 -0.00007 154 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00016 155 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00005 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00003 0.00000 161 3S 0.00000 -0.00001 0.00000 0.00019 -0.00001 162 3PX 0.00000 0.00000 -0.00001 0.00014 0.00003 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00012 164 3PZ 0.00000 -0.00001 -0.00002 0.00013 -0.00001 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 -0.00001 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 -0.00001 0.00000 -0.00001 0.00010 177 3PX 0.00001 0.00008 0.00001 0.00008 0.00029 178 3PY 0.00000 0.00005 0.00000 0.00005 0.00003 179 3PZ 0.00000 -0.00001 0.00000 -0.00001 0.00009 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 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 0.00001 0.00008 0.00001 0.00008 -0.00001 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 66 67 68 69 70 66 2S 0.33257 67 2PX 0.00000 0.35371 68 2PY 0.00000 0.00000 0.42804 69 2PZ 0.00000 0.00000 0.00000 0.37250 70 3S 0.22153 0.00000 0.00000 0.00000 0.29971 71 3PX 0.00000 0.10357 0.00000 0.00000 0.00000 72 3PY 0.00000 0.00000 0.06761 0.00000 0.00000 73 3PZ 0.00000 0.00000 0.00000 0.08661 0.00000 74 4XX -0.00823 0.00000 0.00000 0.00000 -0.00569 75 4YY -0.00089 0.00000 0.00000 0.00000 -0.00013 76 4ZZ -0.00395 0.00000 0.00000 0.00000 -0.00315 77 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 8 C 1S -0.00066 0.00000 -0.00298 0.00000 0.00022 81 2S 0.01406 0.00000 0.04390 0.00000 0.00850 82 2PX 0.00000 0.01689 0.00000 0.00000 0.00000 83 2PY 0.04391 0.00000 0.10306 0.00000 0.03420 84 2PZ 0.00000 0.00000 0.00000 0.01345 0.00000 85 3S 0.00850 0.00000 0.03419 0.00000 -0.02067 86 3PX 0.00000 0.02495 0.00000 0.00000 0.00000 87 3PY 0.01059 0.00000 0.01765 0.00000 -0.00416 88 3PZ 0.00000 0.00000 0.00000 0.02001 0.00000 89 4XX -0.00058 0.00000 -0.00161 0.00000 -0.00086 90 4YY 0.00372 0.00000 0.00305 0.00000 0.00373 91 4ZZ -0.00072 0.00000 -0.00139 0.00000 -0.00221 92 4XY 0.00000 0.00216 0.00000 0.00000 0.00000 93 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YZ 0.00000 0.00000 0.00000 0.00225 0.00000 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00001 96 2S 0.00001 0.00000 0.00004 0.00000 0.00040 97 10 H 1S 0.00000 -0.00001 -0.00001 0.00000 -0.00045 98 2S -0.00014 -0.00057 -0.00047 -0.00021 -0.00291 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 -0.00006 101 2PX 0.00000 -0.00001 0.00000 0.00000 -0.00015 102 2PY 0.00000 0.00000 0.00000 0.00000 -0.00004 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00001 104 3S -0.00005 -0.00069 0.00006 -0.00003 -0.00107 105 3PX 0.00000 -0.00016 -0.00001 0.00000 -0.00023 106 3PY 0.00001 0.00000 -0.00002 0.00001 -0.00032 107 3PZ 0.00001 0.00003 0.00000 -0.00005 0.00008 108 4XX 0.00000 0.00000 0.00000 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 H 1S 0.00000 0.00000 0.00000 0.00000 0.00002 115 2S 0.00002 0.00008 -0.00003 -0.00002 0.00031 116 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 117 2S 0.00000 0.00001 0.00000 0.00000 0.00004 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00001 119 2S 0.00000 -0.00003 0.00000 0.00000 -0.00039 120 2PX -0.00002 -0.00009 0.00000 0.00000 -0.00103 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00001 122 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00005 123 3S -0.00057 -0.00076 -0.00002 -0.00003 -0.00286 124 3PX -0.00086 -0.00005 -0.00002 -0.00005 -0.00331 125 3PY 0.00001 0.00006 -0.00012 0.00000 0.00010 126 3PZ -0.00002 -0.00003 0.00000 -0.00015 -0.00013 127 4XX 0.00000 0.00002 0.00000 0.00000 0.00014 128 4YY 0.00000 0.00000 0.00000 0.00000 -0.00001 129 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00003 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 H 1S 0.00000 -0.00001 0.00000 0.00000 -0.00045 134 2S -0.00009 -0.00046 0.00000 0.00016 -0.00210 135 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00001 136 2S 0.00002 0.00011 0.00000 0.00001 0.00046 137 17 H 1S -0.00021 -0.00002 -0.00048 0.00001 -0.00438 138 2S -0.00404 -0.00034 -0.00663 -0.00022 -0.01600 139 18 H 1S 0.03690 0.00793 0.03846 0.05133 0.05109 140 2S 0.01879 0.00288 0.02289 0.03191 0.03021 141 19 O 1S -0.00007 -0.00042 -0.00007 -0.00030 0.00133 142 2S 0.00123 0.00793 0.00179 0.00540 -0.02020 143 2PX 0.01163 0.01475 0.00636 0.01937 0.00349 144 2PY 0.00233 0.00492 -0.00073 0.00370 0.00289 145 2PZ 0.00563 0.02017 0.00360 0.00309 0.00684 146 3S -0.00405 0.00779 -0.00266 0.00959 -0.06295 147 3PX 0.02126 0.00872 0.00721 0.01956 0.00095 148 3PY 0.00710 0.00657 -0.00457 0.00651 0.00840 149 3PZ 0.01050 0.02145 0.00438 -0.00174 0.01609 150 4XX 0.00082 -0.00105 0.00079 0.00109 0.00153 151 4YY 0.00013 0.00047 0.00000 0.00044 0.00058 152 4ZZ 0.00024 0.00134 0.00049 -0.00045 0.00101 153 4XY 0.00081 0.00074 0.00022 0.00104 0.00017 154 4XZ 0.00148 0.00068 0.00040 0.00008 0.00042 155 4YZ 0.00045 0.00134 0.00014 0.00010 0.00017 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 -0.00013 157 2S -0.00003 -0.00003 -0.00007 -0.00003 0.00200 158 2PX -0.00004 0.00007 -0.00016 -0.00005 -0.00074 159 2PY -0.00017 -0.00008 -0.00034 -0.00005 -0.00427 160 2PZ 0.00001 -0.00008 -0.00013 0.00003 0.00027 161 3S -0.00011 -0.00115 0.00120 -0.00084 0.01262 162 3PX -0.00090 0.00052 -0.00165 -0.00102 -0.00356 163 3PY -0.00335 -0.00153 -0.00361 -0.00042 -0.01641 164 3PZ 0.00029 -0.00155 -0.00159 -0.00018 0.00197 165 4XX 0.00000 -0.00001 -0.00004 0.00002 0.00004 166 4YY -0.00003 -0.00001 -0.00006 0.00001 -0.00062 167 4ZZ 0.00000 0.00002 -0.00002 0.00000 -0.00011 168 4XY 0.00002 0.00002 0.00012 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00001 0.00000 0.00000 170 4YZ 0.00001 0.00001 0.00006 0.00000 -0.00001 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00007 172 2S -0.00017 -0.00052 -0.00020 0.00001 -0.00077 173 2PX -0.00050 -0.00057 -0.00023 -0.00040 -0.00349 174 2PY -0.00005 -0.00033 -0.00001 -0.00024 0.00049 175 2PZ -0.00019 -0.00046 -0.00005 0.00001 -0.00159 176 3S -0.00108 -0.00375 -0.00142 -0.00004 0.00114 177 3PX -0.00351 0.00031 -0.00101 -0.00346 -0.00871 178 3PY -0.00050 -0.00201 -0.00009 -0.00105 0.00058 179 3PZ -0.00101 -0.00140 -0.00016 0.00004 -0.00128 180 4XX 0.00003 0.00016 -0.00002 0.00008 -0.00025 181 4YY -0.00002 -0.00007 0.00000 -0.00003 -0.00017 182 4ZZ 0.00002 0.00010 -0.00001 0.00001 0.00033 183 4XY 0.00001 0.00001 0.00000 0.00002 0.00002 184 4XZ 0.00002 0.00013 0.00001 0.00003 0.00006 185 4YZ 0.00000 0.00006 0.00000 0.00000 0.00002 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00021 187 2S 0.00018 0.00049 0.00002 0.00017 0.00178 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00005 189 2S -0.00004 0.00100 0.00005 -0.00012 -0.00222 71 72 73 74 75 71 3PX 0.12474 72 3PY 0.00000 0.05431 73 3PZ 0.00000 0.00000 0.08173 74 4XX 0.00000 0.00000 0.00000 0.00257 75 4YY 0.00000 0.00000 0.00000 -0.00022 0.00122 76 4ZZ 0.00000 0.00000 0.00000 -0.00017 -0.00012 77 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 8 C 1S 0.00000 -0.00027 0.00000 0.00000 -0.00028 81 2S 0.00000 0.01059 0.00000 -0.00058 0.00372 82 2PX 0.02495 0.00000 0.00000 0.00000 0.00000 83 2PY 0.00000 0.01765 0.00000 -0.00161 0.00305 84 2PZ 0.00000 0.00000 0.02001 0.00000 0.00000 85 3S 0.00000 -0.00417 0.00000 -0.00086 0.00373 86 3PX 0.03516 0.00000 0.00000 0.00000 0.00000 87 3PY 0.00000 0.00160 0.00000 -0.00173 0.00134 88 3PZ 0.00000 0.00000 0.02759 0.00000 0.00000 89 4XX 0.00000 -0.00173 0.00000 0.00004 -0.00004 90 4YY 0.00000 0.00134 0.00000 -0.00004 -0.00006 91 4ZZ 0.00000 -0.00081 0.00000 0.00000 -0.00004 92 4XY 0.00129 0.00000 0.00000 0.00000 0.00000 93 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YZ 0.00000 0.00000 0.00098 0.00000 0.00000 95 9 H 1S 0.00000 0.00003 0.00000 0.00000 0.00000 96 2S 0.00007 0.00037 0.00002 0.00000 0.00000 97 10 H 1S -0.00066 0.00017 -0.00012 0.00000 0.00000 98 2S -0.00300 0.00034 -0.00089 -0.00003 0.00005 99 11 C 1S 0.00001 0.00000 0.00000 0.00000 0.00000 100 2S -0.00045 0.00004 -0.00001 0.00000 0.00000 101 2PX -0.00059 -0.00006 -0.00002 0.00000 0.00000 102 2PY -0.00004 -0.00001 -0.00001 0.00000 0.00000 103 2PZ 0.00003 0.00000 -0.00002 0.00000 0.00000 104 3S -0.00499 0.00095 -0.00021 -0.00001 0.00000 105 3PX -0.00061 -0.00019 -0.00001 0.00002 -0.00001 106 3PY 0.00039 -0.00007 -0.00001 0.00000 0.00000 107 3PZ 0.00016 -0.00002 -0.00026 0.00000 0.00000 108 4XX 0.00003 0.00000 0.00000 0.00000 0.00000 109 4YY -0.00001 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 -0.00001 0.00000 0.00000 0.00000 111 4XY 0.00001 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 H 1S 0.00001 -0.00003 0.00000 0.00000 0.00000 115 2S 0.00085 -0.00059 -0.00014 0.00000 0.00000 116 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 117 2S 0.00029 0.00001 0.00002 0.00000 0.00000 118 14 C 1S 0.00004 0.00000 0.00000 0.00000 0.00000 119 2S -0.00054 -0.00001 -0.00004 0.00000 0.00000 120 2PX -0.00093 -0.00007 -0.00012 0.00001 0.00000 121 2PY -0.00001 -0.00005 0.00000 0.00000 0.00000 122 2PZ -0.00001 0.00000 -0.00009 0.00000 0.00000 123 3S -0.00325 -0.00007 -0.00021 0.00002 0.00000 124 3PX 0.00013 -0.00011 -0.00021 0.00011 0.00001 125 3PY 0.00014 -0.00044 0.00001 0.00000 0.00000 126 3PZ -0.00007 0.00000 -0.00061 0.00001 0.00000 127 4XX 0.00044 0.00001 0.00003 0.00000 0.00000 128 4YY -0.00009 0.00000 0.00000 0.00000 0.00000 129 4ZZ -0.00011 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 -0.00001 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 H 1S -0.00048 -0.00014 0.00009 0.00000 0.00000 134 2S -0.00172 -0.00057 0.00049 -0.00004 0.00000 135 16 H 1S 0.00003 0.00000 0.00000 0.00000 0.00000 136 2S 0.00124 0.00011 0.00012 0.00000 0.00000 137 17 H 1S -0.00015 -0.00396 0.00001 0.00000 0.00001 138 2S -0.00044 -0.00968 0.00022 0.00021 -0.00032 139 18 H 1S 0.00330 0.01136 0.02349 -0.00138 -0.00041 140 2S -0.00079 0.00771 0.02377 -0.00261 -0.00056 141 19 O 1S 0.00029 -0.00027 0.00044 -0.00004 0.00000 142 2S -0.00428 0.00287 -0.00588 0.00111 -0.00019 143 2PX 0.00051 0.00069 0.00347 -0.00088 -0.00052 144 2PY -0.00129 0.00461 0.00029 0.00079 0.00017 145 2PZ 0.00776 0.00155 -0.00120 0.00394 -0.00025 146 3S -0.01156 0.00244 -0.01076 0.00123 -0.00005 147 3PX -0.00193 -0.00011 0.00196 -0.00176 -0.00162 148 3PY -0.00310 0.01104 0.00115 0.00111 -0.00053 149 3PZ 0.00886 0.00298 -0.00697 0.00637 -0.00071 150 4XX -0.00127 0.00052 0.00103 -0.00004 -0.00001 151 4YY -0.00036 -0.00023 0.00029 0.00008 -0.00004 152 4ZZ 0.00207 0.00016 -0.00055 0.00009 0.00000 153 4XY 0.00001 0.00020 0.00006 -0.00006 0.00000 154 4XZ 0.00000 0.00004 0.00005 -0.00001 -0.00003 155 4YZ 0.00020 0.00012 0.00001 0.00018 0.00000 156 20 O 1S 0.00000 -0.00014 -0.00001 0.00000 0.00000 157 2S 0.00009 0.00147 0.00035 0.00000 0.00000 158 2PX 0.00019 -0.00020 -0.00007 0.00000 0.00001 159 2PY 0.00105 -0.00423 0.00087 0.00000 0.00002 160 2PZ -0.00124 -0.00151 -0.00029 0.00000 0.00001 161 3S -0.00127 0.00962 -0.00038 -0.00004 0.00013 162 3PX -0.00142 0.00009 -0.00098 -0.00006 0.00010 163 3PY 0.00199 -0.01058 0.00302 -0.00001 0.00038 164 3PZ -0.00483 -0.00484 -0.00247 0.00005 0.00007 165 4XX -0.00009 -0.00019 0.00016 0.00000 0.00000 166 4YY 0.00005 -0.00056 0.00015 0.00000 0.00000 167 4ZZ 0.00011 -0.00017 -0.00006 0.00000 0.00000 168 4XY 0.00001 0.00010 0.00000 0.00000 0.00001 169 4XZ 0.00000 -0.00002 -0.00001 0.00000 0.00000 170 4YZ 0.00000 -0.00001 0.00000 0.00000 0.00001 171 21 C 1S 0.00024 0.00007 -0.00002 0.00000 0.00000 172 2S -0.00343 -0.00115 0.00097 0.00004 -0.00001 173 2PX -0.00246 -0.00024 -0.00079 0.00014 -0.00003 174 2PY -0.00178 -0.00087 -0.00083 0.00003 0.00000 175 2PZ -0.00220 0.00017 0.00003 0.00005 -0.00001 176 3S -0.00718 -0.00271 0.00295 0.00005 -0.00010 177 3PX 0.00157 0.00029 -0.00415 0.00006 -0.00021 178 3PY -0.00176 0.00005 -0.00046 -0.00002 0.00003 179 3PZ -0.00325 -0.00026 -0.00045 0.00043 -0.00006 180 4XX 0.00049 0.00008 0.00008 -0.00001 0.00000 181 4YY -0.00061 0.00004 -0.00019 0.00000 0.00000 182 4ZZ 0.00059 -0.00007 0.00004 0.00000 0.00000 183 4XY -0.00015 -0.00008 -0.00007 0.00000 0.00000 184 4XZ 0.00008 -0.00003 0.00001 0.00002 0.00000 185 4YZ 0.00010 -0.00002 0.00000 0.00001 0.00000 186 22 H 1S 0.00022 -0.00007 0.00011 0.00000 0.00000 187 2S 0.00190 -0.00023 0.00034 0.00004 0.00001 188 23 H 1S 0.00032 0.00003 0.00001 0.00000 0.00000 189 2S 0.00603 0.00084 -0.00068 -0.00023 0.00000 76 77 78 79 80 76 4ZZ 0.00177 77 4XY 0.00000 0.00157 78 4XZ 0.00000 0.00000 0.00159 79 4YZ 0.00000 0.00000 0.00000 0.00181 80 8 C 1S 0.00000 0.00000 0.00000 0.00000 2.05261 81 2S -0.00072 0.00000 0.00000 0.00000 -0.01388 82 2PX 0.00000 0.00216 0.00000 0.00000 0.00000 83 2PY -0.00139 0.00000 0.00000 0.00000 0.00000 84 2PZ 0.00000 0.00000 0.00000 0.00225 0.00000 85 3S -0.00221 0.00000 0.00000 0.00000 -0.03169 86 3PX 0.00000 0.00129 0.00000 0.00000 0.00000 87 3PY -0.00081 0.00000 0.00000 0.00000 0.00000 88 3PZ 0.00000 0.00000 0.00000 0.00098 0.00000 89 4XX 0.00000 0.00000 0.00000 0.00000 -0.00098 90 4YY -0.00004 0.00000 0.00000 0.00000 -0.00136 91 4ZZ 0.00005 0.00000 0.00000 0.00000 -0.00119 92 4XY 0.00000 -0.00001 0.00000 0.00000 0.00000 93 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YZ 0.00000 0.00000 0.00000 -0.00018 0.00000 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00000 0.00000 0.00000 0.00001 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S -0.00001 0.00000 0.00000 0.00001 0.00000 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00001 -0.00001 0.00000 0.00000 0.00002 105 3PX 0.00000 0.00000 0.00000 0.00000 0.00005 106 3PY 0.00000 0.00001 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 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 117 2S 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00001 0.00000 0.00001 0.00000 0.00000 124 3PX -0.00002 0.00000 0.00000 0.00000 0.00000 125 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00002 0.00000 0.00002 0.00000 0.00000 135 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 136 2S 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 H 1S 0.00001 0.00001 0.00000 0.00004 -0.00228 138 2S 0.00033 0.00001 0.00001 0.00022 -0.00156 139 18 H 1S 0.00210 0.00064 0.00044 0.00359 0.00000 140 2S 0.00337 0.00014 0.00008 0.00064 0.00025 141 19 O 1S -0.00001 -0.00005 -0.00009 -0.00003 0.00000 142 2S 0.00021 0.00087 0.00166 0.00057 0.00000 143 2PX 0.00162 0.00035 0.00279 0.00102 0.00000 144 2PY 0.00032 0.00028 0.00124 0.00016 0.00000 145 2PZ -0.00069 0.00138 0.00027 0.00003 0.00000 146 3S 0.00061 0.00101 0.00119 0.00077 -0.00001 147 3PX 0.00391 -0.00001 0.00080 0.00057 0.00003 148 3PY 0.00066 0.00077 0.00085 0.00048 0.00012 149 3PZ -0.00229 0.00089 -0.00001 0.00000 -0.00001 150 4XX 0.00005 0.00002 0.00001 -0.00002 0.00000 151 4YY 0.00003 0.00002 0.00010 0.00001 0.00000 152 4ZZ -0.00003 0.00002 -0.00002 -0.00001 0.00000 153 4XY 0.00004 0.00000 0.00011 -0.00003 0.00000 154 4XZ 0.00000 0.00003 0.00007 0.00000 0.00000 155 4YZ -0.00003 -0.00002 0.00002 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 -0.00002 158 2PX 0.00000 0.00001 0.00000 0.00001 -0.00023 159 2PY 0.00000 0.00001 0.00000 0.00001 -0.00005 160 2PZ 0.00000 0.00001 0.00000 0.00000 -0.00013 161 3S -0.00001 -0.00002 -0.00004 0.00002 0.00037 162 3PX 0.00010 0.00006 0.00000 0.00008 -0.00205 163 3PY -0.00004 0.00008 -0.00004 0.00013 -0.00079 164 3PZ -0.00003 0.00006 0.00000 -0.00001 -0.00126 165 4XX 0.00000 0.00000 0.00000 0.00000 -0.00006 166 4YY 0.00000 0.00001 0.00000 0.00000 -0.00001 167 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00002 168 4XY 0.00000 0.00000 0.00000 0.00000 -0.00007 169 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00016 170 4YZ 0.00000 0.00001 0.00000 0.00000 -0.00005 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00001 0.00002 0.00001 0.00002 0.00000 173 2PX 0.00003 0.00007 0.00008 0.00005 0.00000 174 2PY 0.00001 0.00000 -0.00001 0.00000 0.00000 175 2PZ 0.00001 0.00002 0.00002 0.00001 0.00000 176 3S 0.00006 0.00006 -0.00004 0.00007 0.00010 177 3PX 0.00050 0.00013 0.00005 0.00004 0.00029 178 3PY -0.00001 -0.00008 -0.00009 -0.00004 0.00003 179 3PZ -0.00011 0.00001 0.00000 0.00000 0.00009 180 4XX 0.00001 0.00001 0.00002 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00001 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 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 -0.00007 -0.00001 -0.00002 0.00000 -0.00001 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00009 0.00002 0.00001 -0.00001 0.00000 81 82 83 84 85 81 2S 0.33256 82 2PX 0.00000 0.35371 83 2PY 0.00000 0.00000 0.42805 84 2PZ 0.00000 0.00000 0.00000 0.37249 85 3S 0.22154 0.00000 0.00000 0.00000 0.29975 86 3PX 0.00000 0.10357 0.00000 0.00000 0.00000 87 3PY 0.00000 0.00000 0.06761 0.00000 0.00000 88 3PZ 0.00000 0.00000 0.00000 0.08662 0.00000 89 4XX -0.00823 0.00000 0.00000 0.00000 -0.00569 90 4YY -0.00089 0.00000 0.00000 0.00000 -0.00013 91 4ZZ -0.00395 0.00000 0.00000 0.00000 -0.00315 92 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 9 H 1S 0.00000 -0.00001 -0.00001 0.00000 -0.00045 96 2S -0.00014 -0.00057 -0.00047 -0.00021 -0.00292 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00001 98 2S 0.00001 0.00000 0.00004 0.00000 0.00040 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00001 100 2S 0.00000 -0.00003 0.00000 0.00000 -0.00039 101 2PX -0.00002 -0.00009 0.00000 0.00000 -0.00103 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00001 103 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00005 104 3S -0.00057 -0.00076 -0.00002 -0.00003 -0.00287 105 3PX -0.00086 -0.00006 -0.00002 -0.00005 -0.00332 106 3PY 0.00001 0.00006 -0.00012 0.00000 0.00010 107 3PZ -0.00002 -0.00003 0.00000 -0.00015 -0.00013 108 4XX 0.00000 0.00002 0.00000 0.00000 0.00014 109 4YY 0.00000 0.00000 0.00000 0.00000 -0.00001 110 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00003 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 H 1S 0.00000 -0.00001 0.00000 0.00000 -0.00045 115 2S -0.00009 -0.00046 0.00000 0.00016 -0.00210 116 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00001 117 2S 0.00002 0.00011 0.00000 0.00001 0.00046 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 -0.00006 120 2PX 0.00000 -0.00001 0.00000 0.00000 -0.00015 121 2PY 0.00000 0.00000 0.00000 0.00000 -0.00004 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00001 123 3S -0.00005 -0.00069 0.00006 -0.00003 -0.00107 124 3PX 0.00000 -0.00016 -0.00001 0.00000 -0.00024 125 3PY 0.00001 0.00000 -0.00002 0.00001 -0.00032 126 3PZ 0.00001 0.00003 0.00000 -0.00005 0.00008 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00001 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00002 134 2S 0.00002 0.00008 -0.00003 -0.00002 0.00031 135 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 136 2S 0.00000 0.00001 0.00000 0.00000 0.00004 137 17 H 1S 0.03690 0.00793 0.03848 0.05131 0.05109 138 2S 0.01878 0.00288 0.02290 0.03190 0.03020 139 18 H 1S -0.00021 -0.00002 -0.00048 0.00001 -0.00438 140 2S -0.00404 -0.00034 -0.00663 -0.00022 -0.01600 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 -0.00013 142 2S -0.00003 -0.00003 -0.00007 -0.00003 0.00200 143 2PX -0.00004 0.00007 -0.00016 -0.00005 -0.00074 144 2PY -0.00017 -0.00008 -0.00034 -0.00005 -0.00427 145 2PZ 0.00001 -0.00008 -0.00013 0.00003 0.00027 146 3S -0.00011 -0.00115 0.00120 -0.00084 0.01262 147 3PX -0.00090 0.00052 -0.00165 -0.00102 -0.00356 148 3PY -0.00335 -0.00153 -0.00361 -0.00042 -0.01640 149 3PZ 0.00029 -0.00155 -0.00159 -0.00018 0.00197 150 4XX 0.00000 -0.00001 -0.00004 0.00002 0.00004 151 4YY -0.00003 -0.00001 -0.00006 0.00001 -0.00062 152 4ZZ 0.00000 0.00002 -0.00002 0.00000 -0.00011 153 4XY 0.00002 0.00002 0.00012 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00001 0.00000 0.00000 155 4YZ 0.00001 0.00001 0.00006 0.00000 -0.00001 156 20 O 1S -0.00007 -0.00042 -0.00007 -0.00030 0.00133 157 2S 0.00123 0.00793 0.00179 0.00540 -0.02021 158 2PX 0.01163 0.01476 0.00636 0.01937 0.00349 159 2PY 0.00233 0.00492 -0.00073 0.00370 0.00289 160 2PZ 0.00563 0.02017 0.00360 0.00309 0.00684 161 3S -0.00405 0.00779 -0.00266 0.00958 -0.06296 162 3PX 0.02126 0.00872 0.00721 0.01956 0.00095 163 3PY 0.00710 0.00656 -0.00457 0.00651 0.00839 164 3PZ 0.01050 0.02146 0.00438 -0.00174 0.01610 165 4XX 0.00082 -0.00105 0.00079 0.00109 0.00153 166 4YY 0.00013 0.00047 0.00000 0.00044 0.00058 167 4ZZ 0.00024 0.00134 0.00049 -0.00045 0.00101 168 4XY 0.00081 0.00074 0.00022 0.00104 0.00017 169 4XZ 0.00148 0.00068 0.00040 0.00008 0.00042 170 4YZ 0.00045 0.00134 0.00014 0.00010 0.00017 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00007 172 2S -0.00017 -0.00052 -0.00020 0.00001 -0.00077 173 2PX -0.00050 -0.00057 -0.00023 -0.00040 -0.00349 174 2PY -0.00005 -0.00033 -0.00001 -0.00024 0.00049 175 2PZ -0.00019 -0.00046 -0.00005 0.00001 -0.00159 176 3S -0.00108 -0.00375 -0.00142 -0.00004 0.00114 177 3PX -0.00351 0.00031 -0.00101 -0.00346 -0.00871 178 3PY -0.00050 -0.00201 -0.00009 -0.00105 0.00058 179 3PZ -0.00101 -0.00139 -0.00016 0.00004 -0.00128 180 4XX 0.00003 0.00016 -0.00002 0.00008 -0.00025 181 4YY -0.00002 -0.00007 0.00000 -0.00003 -0.00017 182 4ZZ 0.00002 0.00010 -0.00001 0.00001 0.00033 183 4XY 0.00001 0.00001 0.00000 0.00002 0.00002 184 4XZ 0.00002 0.00013 0.00001 0.00003 0.00006 185 4YZ 0.00000 0.00006 0.00000 0.00000 0.00002 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00021 187 2S 0.00018 0.00049 0.00002 0.00017 0.00178 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00005 189 2S -0.00004 0.00100 0.00005 -0.00012 -0.00222 86 87 88 89 90 86 3PX 0.12473 87 3PY 0.00000 0.05430 88 3PZ 0.00000 0.00000 0.08174 89 4XX 0.00000 0.00000 0.00000 0.00257 90 4YY 0.00000 0.00000 0.00000 -0.00022 0.00122 91 4ZZ 0.00000 0.00000 0.00000 -0.00017 -0.00012 92 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 9 H 1S -0.00066 0.00017 -0.00012 0.00000 0.00000 96 2S -0.00300 0.00034 -0.00089 -0.00003 0.00005 97 10 H 1S 0.00000 0.00003 0.00000 0.00000 0.00000 98 2S 0.00007 0.00037 0.00002 0.00000 0.00000 99 11 C 1S 0.00004 0.00000 0.00000 0.00000 0.00000 100 2S -0.00054 -0.00001 -0.00004 0.00000 0.00000 101 2PX -0.00093 -0.00007 -0.00012 0.00001 0.00000 102 2PY -0.00001 -0.00005 0.00000 0.00000 0.00000 103 2PZ -0.00001 0.00000 -0.00009 0.00000 0.00000 104 3S -0.00326 -0.00007 -0.00021 0.00002 0.00000 105 3PX 0.00013 -0.00011 -0.00021 0.00011 0.00001 106 3PY 0.00014 -0.00044 0.00001 0.00000 0.00000 107 3PZ -0.00007 0.00000 -0.00061 0.00001 0.00000 108 4XX 0.00044 0.00001 0.00003 0.00000 0.00000 109 4YY -0.00009 0.00000 0.00000 0.00000 0.00000 110 4ZZ -0.00011 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 -0.00001 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 H 1S -0.00048 -0.00014 0.00009 0.00000 0.00000 115 2S -0.00172 -0.00058 0.00049 -0.00004 0.00000 116 13 H 1S 0.00003 0.00000 0.00000 0.00000 0.00000 117 2S 0.00124 0.00011 0.00012 0.00000 0.00000 118 14 C 1S 0.00001 0.00000 0.00000 0.00000 0.00000 119 2S -0.00045 0.00004 -0.00001 0.00000 0.00000 120 2PX -0.00059 -0.00006 -0.00002 0.00000 0.00000 121 2PY -0.00004 -0.00001 -0.00001 0.00000 0.00000 122 2PZ 0.00003 0.00000 -0.00002 0.00000 0.00000 123 3S -0.00499 0.00095 -0.00021 -0.00001 0.00000 124 3PX -0.00061 -0.00019 -0.00001 0.00002 -0.00001 125 3PY 0.00039 -0.00007 -0.00001 0.00000 0.00000 126 3PZ 0.00016 -0.00002 -0.00026 0.00000 0.00000 127 4XX 0.00003 0.00000 0.00000 0.00000 0.00000 128 4YY -0.00001 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 -0.00001 0.00000 0.00000 0.00000 130 4XY 0.00001 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 H 1S 0.00001 -0.00003 0.00000 0.00000 0.00000 134 2S 0.00085 -0.00059 -0.00014 0.00000 0.00000 135 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 136 2S 0.00029 0.00001 0.00002 0.00000 0.00000 137 17 H 1S 0.00330 0.01136 0.02349 -0.00138 -0.00041 138 2S -0.00079 0.00772 0.02377 -0.00261 -0.00056 139 18 H 1S -0.00015 -0.00396 0.00001 0.00000 0.00001 140 2S -0.00044 -0.00968 0.00022 0.00021 -0.00032 141 19 O 1S 0.00000 -0.00014 -0.00001 0.00000 0.00000 142 2S 0.00009 0.00147 0.00034 0.00000 0.00000 143 2PX 0.00019 -0.00020 -0.00007 0.00000 0.00001 144 2PY 0.00105 -0.00423 0.00087 0.00000 0.00002 145 2PZ -0.00124 -0.00151 -0.00029 0.00000 0.00001 146 3S -0.00127 0.00962 -0.00039 -0.00004 0.00013 147 3PX -0.00142 0.00009 -0.00098 -0.00006 0.00010 148 3PY 0.00199 -0.01059 0.00303 -0.00001 0.00038 149 3PZ -0.00482 -0.00484 -0.00248 0.00005 0.00007 150 4XX -0.00009 -0.00019 0.00016 0.00000 0.00000 151 4YY 0.00005 -0.00056 0.00015 0.00000 0.00000 152 4ZZ 0.00011 -0.00017 -0.00006 0.00000 0.00000 153 4XY 0.00001 0.00010 0.00000 0.00000 0.00001 154 4XZ 0.00000 -0.00002 -0.00001 0.00000 0.00000 155 4YZ 0.00000 -0.00001 0.00000 0.00000 0.00001 156 20 O 1S 0.00029 -0.00027 0.00045 -0.00004 0.00000 157 2S -0.00428 0.00287 -0.00588 0.00111 -0.00019 158 2PX 0.00051 0.00069 0.00347 -0.00088 -0.00052 159 2PY -0.00129 0.00461 0.00029 0.00079 0.00017 160 2PZ 0.00777 0.00155 -0.00120 0.00394 -0.00025 161 3S -0.01156 0.00244 -0.01076 0.00123 -0.00005 162 3PX -0.00193 -0.00011 0.00196 -0.00176 -0.00162 163 3PY -0.00310 0.01105 0.00114 0.00111 -0.00053 164 3PZ 0.00886 0.00298 -0.00697 0.00637 -0.00071 165 4XX -0.00127 0.00052 0.00104 -0.00004 -0.00001 166 4YY -0.00036 -0.00023 0.00029 0.00008 -0.00004 167 4ZZ 0.00207 0.00016 -0.00055 0.00009 0.00000 168 4XY 0.00001 0.00020 0.00006 -0.00006 0.00000 169 4XZ 0.00000 0.00004 0.00005 -0.00001 -0.00003 170 4YZ 0.00020 0.00012 0.00001 0.00018 0.00000 171 21 C 1S 0.00024 0.00007 -0.00002 0.00000 0.00000 172 2S -0.00343 -0.00115 0.00097 0.00004 -0.00001 173 2PX -0.00246 -0.00025 -0.00079 0.00014 -0.00003 174 2PY -0.00178 -0.00087 -0.00083 0.00003 0.00000 175 2PZ -0.00220 0.00017 0.00003 0.00005 -0.00001 176 3S -0.00718 -0.00271 0.00295 0.00005 -0.00010 177 3PX 0.00157 0.00029 -0.00415 0.00006 -0.00021 178 3PY -0.00176 0.00005 -0.00046 -0.00002 0.00003 179 3PZ -0.00325 -0.00026 -0.00045 0.00043 -0.00006 180 4XX 0.00049 0.00008 0.00008 -0.00001 0.00000 181 4YY -0.00061 0.00004 -0.00019 0.00000 0.00000 182 4ZZ 0.00059 -0.00007 0.00004 0.00000 0.00000 183 4XY -0.00015 -0.00008 -0.00007 0.00000 0.00000 184 4XZ 0.00008 -0.00003 0.00001 0.00002 0.00000 185 4YZ 0.00010 -0.00002 0.00000 0.00001 0.00000 186 22 H 1S 0.00022 -0.00007 0.00011 0.00000 0.00000 187 2S 0.00190 -0.00023 0.00034 0.00004 0.00001 188 23 H 1S 0.00032 0.00003 0.00001 0.00000 0.00000 189 2S 0.00603 0.00084 -0.00068 -0.00023 0.00000 91 92 93 94 95 91 4ZZ 0.00177 92 4XY 0.00000 0.00157 93 4XZ 0.00000 0.00000 0.00159 94 4YZ 0.00000 0.00000 0.00000 0.00181 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.21689 96 2S -0.00001 0.00000 0.00000 0.00001 0.11507 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 -0.00012 101 2PX 0.00000 0.00000 0.00000 0.00000 -0.00015 102 2PY 0.00000 0.00000 0.00000 0.00000 -0.00028 103 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00011 104 3S 0.00001 0.00000 0.00001 0.00000 -0.00433 105 3PX -0.00002 0.00000 0.00000 0.00000 -0.00193 106 3PY 0.00000 0.00000 0.00000 0.00000 -0.00115 107 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00145 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00004 110 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00001 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00002 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00002 114 12 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 115 2S 0.00002 0.00000 0.00002 0.00000 -0.00039 116 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 117 2S 0.00000 0.00000 0.00000 0.00000 -0.00016 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00001 -0.00001 0.00000 0.00000 0.00008 124 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 3PY 0.00000 0.00001 0.00000 0.00000 0.00023 126 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 136 2S 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 H 1S 0.00209 0.00064 0.00044 0.00359 0.00000 138 2S 0.00337 0.00014 0.00008 0.00064 -0.00007 139 18 H 1S 0.00001 0.00001 0.00000 0.00004 0.00000 140 2S 0.00033 0.00001 0.00001 0.00022 0.00000 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00001 0.00000 0.00001 0.00000 144 2PY 0.00000 0.00001 0.00000 0.00001 0.00000 145 2PZ 0.00000 0.00001 0.00000 0.00000 0.00000 146 3S -0.00001 -0.00002 -0.00004 0.00002 0.00000 147 3PX 0.00010 0.00006 0.00000 0.00008 0.00000 148 3PY -0.00004 0.00008 -0.00004 0.00013 0.00000 149 3PZ -0.00003 0.00006 0.00000 -0.00001 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00001 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00001 0.00000 0.00000 0.00000 156 20 O 1S -0.00001 -0.00005 -0.00009 -0.00003 0.00000 157 2S 0.00021 0.00087 0.00166 0.00057 0.00000 158 2PX 0.00162 0.00035 0.00279 0.00102 0.00000 159 2PY 0.00032 0.00028 0.00123 0.00016 0.00000 160 2PZ -0.00069 0.00138 0.00027 0.00003 0.00000 161 3S 0.00061 0.00101 0.00119 0.00077 -0.00001 162 3PX 0.00391 -0.00001 0.00080 0.00057 -0.00001 163 3PY 0.00066 0.00077 0.00085 0.00048 0.00000 164 3PZ -0.00229 0.00089 -0.00001 0.00000 0.00000 165 4XX 0.00005 0.00002 0.00001 -0.00002 0.00000 166 4YY 0.00003 0.00002 0.00010 0.00001 0.00000 167 4ZZ -0.00003 0.00002 -0.00002 -0.00001 0.00000 168 4XY 0.00004 0.00000 0.00011 -0.00003 0.00000 169 4XZ 0.00000 0.00003 0.00007 0.00000 0.00000 170 4YZ -0.00003 -0.00002 0.00002 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00001 0.00002 0.00001 0.00002 0.00000 173 2PX 0.00003 0.00007 0.00008 0.00005 0.00000 174 2PY 0.00001 0.00000 -0.00001 0.00000 0.00000 175 2PZ 0.00001 0.00002 0.00002 0.00001 0.00000 176 3S 0.00006 0.00006 -0.00004 0.00007 0.00000 177 3PX 0.00050 0.00013 0.00005 0.00004 0.00000 178 3PY -0.00001 -0.00008 -0.00009 -0.00004 0.00000 179 3PZ -0.00011 0.00001 0.00000 0.00000 0.00000 180 4XX 0.00001 0.00001 0.00002 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00001 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 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 -0.00007 -0.00001 -0.00002 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00009 0.00002 0.00001 -0.00001 0.00000 96 97 98 99 100 96 2S 0.16312 97 10 H 1S 0.00000 0.21689 98 2S 0.00000 0.11507 0.16312 99 11 C 1S 0.00017 0.00000 0.00000 2.05093 100 2S -0.00246 0.00000 0.00006 -0.01173 0.30675 101 2PX -0.00265 0.00000 0.00002 0.00000 0.00000 102 2PY -0.00439 0.00000 0.00028 0.00000 0.00000 103 2PZ -0.00188 0.00000 0.00002 0.00000 0.00000 104 3S -0.01673 0.00008 0.00133 -0.03468 0.23023 105 3PX -0.00635 0.00000 0.00008 0.00000 0.00000 106 3PY -0.00515 0.00023 0.00299 0.00000 0.00000 107 3PZ -0.00463 0.00000 0.00013 0.00000 0.00000 108 4XX -0.00017 0.00000 0.00000 -0.00136 -0.00117 109 4YY 0.00064 0.00000 0.00000 -0.00123 -0.00373 110 4ZZ -0.00018 0.00000 0.00000 -0.00136 -0.00110 111 4XY 0.00005 0.00000 0.00000 0.00000 0.00000 112 4XZ -0.00006 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00005 0.00000 0.00000 0.00000 0.00000 114 12 H 1S -0.00029 0.00000 0.00000 -0.00165 0.02726 115 2S -0.00053 0.00000 -0.00016 -0.00051 0.00973 116 13 H 1S -0.00011 0.00000 0.00000 -0.00167 0.02754 117 2S -0.00027 0.00000 -0.00010 -0.00062 0.01033 118 14 C 1S 0.00000 0.00000 0.00017 0.00000 -0.00013 119 2S 0.00006 -0.00012 -0.00247 -0.00013 0.00357 120 2PX 0.00002 -0.00015 -0.00265 0.00000 0.00000 121 2PY 0.00028 -0.00028 -0.00439 -0.00105 0.02296 122 2PZ 0.00002 -0.00011 -0.00188 0.00000 0.00000 123 3S 0.00133 -0.00433 -0.01673 0.00033 0.00284 124 3PX 0.00008 -0.00193 -0.00635 0.00000 0.00000 125 3PY 0.00299 -0.00115 -0.00515 -0.00140 0.02012 126 3PZ 0.00013 -0.00145 -0.00463 0.00000 0.00000 127 4XX 0.00000 0.00000 -0.00017 0.00000 -0.00023 128 4YY 0.00000 0.00004 0.00064 -0.00011 0.00253 129 4ZZ 0.00000 -0.00001 -0.00018 0.00000 -0.00022 130 4XY 0.00000 0.00002 0.00005 0.00000 0.00000 131 4XZ 0.00000 0.00000 -0.00006 0.00000 0.00000 132 4YZ 0.00000 0.00002 0.00005 0.00000 0.00000 133 15 H 1S 0.00000 -0.00001 -0.00029 0.00000 -0.00011 134 2S -0.00016 -0.00039 -0.00053 0.00010 -0.00181 135 16 H 1S 0.00000 0.00000 -0.00010 0.00000 -0.00013 136 2S -0.00010 -0.00016 -0.00027 0.00014 -0.00231 137 17 H 1S -0.00013 0.00000 0.00000 0.00000 0.00000 138 2S 0.00021 0.00000 -0.00004 0.00000 -0.00012 139 18 H 1S 0.00000 0.00000 -0.00013 0.00000 0.00000 140 2S -0.00004 -0.00007 0.00021 0.00000 0.00002 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00004 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00004 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 -0.00001 0.00036 0.00000 0.00000 147 3PX -0.00001 -0.00001 0.00001 0.00000 0.00000 148 3PY 0.00000 0.00000 0.00025 0.00000 0.00000 149 3PZ 0.00000 0.00000 0.00003 0.00000 0.00000 150 4XX 0.00000 0.00000 -0.00001 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00004 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00004 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00036 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00001 0.00000 -0.00001 0.00000 0.00000 163 3PY 0.00025 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00003 0.00000 0.00000 0.00000 0.00000 165 4XX -0.00001 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S -0.00001 0.00000 -0.00001 0.00000 0.00000 177 3PX -0.00002 0.00000 -0.00002 0.00000 0.00000 178 3PY -0.00003 0.00000 -0.00003 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 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 101 102 103 104 105 101 2PX 0.39946 102 2PY 0.00000 0.38112 103 2PZ 0.00000 0.00000 0.40015 104 3S 0.00000 0.00000 0.00000 0.31662 105 3PX 0.10533 0.00000 0.00000 0.00000 0.08894 106 3PY 0.00000 0.09958 0.00000 0.00000 0.00000 107 3PZ 0.00000 0.00000 0.10200 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00038 0.00000 109 4YY 0.00000 0.00000 0.00000 -0.00323 0.00000 110 4ZZ 0.00000 0.00000 0.00000 -0.00091 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 H 1S 0.00378 0.01178 0.08205 0.02945 0.00217 115 2S 0.00277 0.00736 0.05511 -0.00242 0.00261 116 13 H 1S 0.08143 0.00963 0.00595 0.03249 0.05357 117 2S 0.05295 0.00575 0.00400 0.00684 0.05341 118 14 C 1S 0.00000 -0.00105 0.00000 0.00033 0.00000 119 2S 0.00000 0.02296 0.00000 0.00284 0.00000 120 2PX 0.00014 0.00000 0.00000 0.00000 -0.00174 121 2PY 0.00000 0.07743 0.00000 0.02725 0.00000 122 2PZ 0.00000 0.00000 0.00027 0.00000 0.00000 123 3S 0.00000 0.02725 0.00000 -0.01130 0.00000 124 3PX -0.00174 0.00000 0.00000 0.00000 -0.00450 125 3PY 0.00000 0.03429 0.00000 0.01588 0.00000 126 3PZ 0.00000 0.00000 -0.00119 0.00000 0.00000 127 4XX 0.00000 -0.00059 0.00000 -0.00138 0.00000 128 4YY 0.00000 0.00253 0.00000 0.00379 0.00000 129 4ZZ 0.00000 -0.00062 0.00000 -0.00065 0.00000 130 4XY 0.00109 0.00000 0.00000 0.00000 0.00077 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00109 0.00000 0.00000 133 15 H 1S -0.00001 -0.00033 -0.00012 -0.00129 -0.00003 134 2S -0.00019 -0.00489 -0.00166 -0.00249 -0.00028 135 16 H 1S -0.00014 -0.00033 -0.00001 -0.00222 -0.00148 136 2S -0.00158 -0.00474 -0.00023 -0.00949 -0.00415 137 17 H 1S -0.00001 0.00000 0.00000 -0.00035 -0.00019 138 2S 0.00003 0.00002 0.00017 -0.00165 0.00045 139 18 H 1S 0.00000 0.00000 0.00000 0.00002 -0.00002 140 2S 0.00000 -0.00001 -0.00002 0.00065 -0.00022 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00000 0.00001 0.00000 147 3PX 0.00000 0.00000 0.00000 0.00007 0.00002 148 3PY 0.00000 0.00000 0.00000 0.00001 0.00002 149 3PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 -0.00001 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00003 0.00013 162 3PX 0.00001 0.00000 0.00000 0.00014 0.00000 163 3PY 0.00000 0.00000 0.00000 -0.00002 -0.00002 164 3PZ 0.00000 0.00000 0.00000 -0.00003 -0.00001 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00000 -0.00001 -0.00001 177 3PX 0.00000 0.00000 0.00000 0.00002 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 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 106 107 108 109 110 106 3PY 0.08740 107 3PZ 0.00000 0.08364 108 4XX 0.00000 0.00000 0.00161 109 4YY 0.00000 0.00000 -0.00013 0.00123 110 4ZZ 0.00000 0.00000 -0.00022 -0.00010 0.00156 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 H 1S 0.00757 0.05194 -0.00099 -0.00081 0.00520 115 2S 0.00718 0.05287 -0.00306 -0.00121 0.00568 116 13 H 1S 0.00703 0.00302 0.00518 -0.00087 -0.00094 117 2S 0.00609 0.00313 0.00547 -0.00158 -0.00261 118 14 C 1S -0.00140 0.00000 0.00000 -0.00011 0.00000 119 2S 0.02012 0.00000 -0.00023 0.00253 -0.00022 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.03429 0.00000 -0.00059 0.00253 -0.00062 122 2PZ 0.00000 -0.00119 0.00000 0.00000 0.00000 123 3S 0.01588 0.00000 -0.00138 0.00379 -0.00065 124 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 3PY 0.01485 0.00000 -0.00137 0.00190 -0.00137 126 3PZ 0.00000 -0.00302 0.00000 0.00000 0.00000 127 4XX -0.00137 0.00000 0.00000 -0.00001 0.00000 128 4YY 0.00190 0.00000 -0.00001 -0.00003 -0.00002 129 4ZZ -0.00137 0.00000 0.00000 -0.00002 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00071 0.00000 0.00000 0.00000 133 15 H 1S -0.00262 -0.00133 0.00000 0.00002 0.00000 134 2S -0.00791 -0.00417 0.00024 -0.00015 -0.00007 135 16 H 1S -0.00193 -0.00002 -0.00001 0.00003 0.00000 136 2S -0.00662 -0.00039 -0.00008 -0.00005 0.00021 137 17 H 1S -0.00006 -0.00020 0.00000 0.00000 0.00000 138 2S 0.00004 -0.00017 -0.00009 0.00001 0.00005 139 18 H 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 140 2S -0.00004 -0.00021 0.00001 0.00000 0.00000 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00001 0.00000 0.00000 0.00000 0.00000 147 3PX 0.00002 0.00001 0.00000 0.00000 0.00000 148 3PY 0.00001 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00001 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00002 0.00006 0.00000 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00005 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00000 0.00000 0.00000 177 3PX 0.00000 0.00001 0.00000 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 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 111 112 113 114 115 111 4XY 0.00089 112 4XZ 0.00000 0.00065 113 4YZ 0.00000 0.00000 0.00095 114 12 H 1S 0.00006 0.00045 0.00199 0.21677 115 2S 0.00002 0.00009 0.00044 0.11803 0.17241 116 13 H 1S 0.00172 0.00078 0.00010 -0.00052 -0.00875 117 2S 0.00038 0.00015 0.00003 -0.00805 -0.02613 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00010 119 2S 0.00000 0.00000 0.00000 -0.00011 -0.00182 120 2PX 0.00109 0.00000 0.00000 -0.00001 -0.00019 121 2PY 0.00000 0.00000 0.00000 -0.00033 -0.00489 122 2PZ 0.00000 0.00000 0.00109 -0.00012 -0.00166 123 3S 0.00000 0.00000 0.00000 -0.00129 -0.00249 124 3PX 0.00077 0.00000 0.00000 -0.00003 -0.00029 125 3PY 0.00000 0.00000 0.00000 -0.00262 -0.00791 126 3PZ 0.00000 0.00000 0.00071 -0.00133 -0.00417 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00024 128 4YY 0.00000 0.00000 0.00000 0.00002 -0.00015 129 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00007 130 4XY -0.00014 0.00000 0.00000 0.00000 0.00002 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 -0.00015 0.00006 0.00030 133 15 H 1S 0.00000 0.00000 0.00006 -0.00004 -0.00166 134 2S 0.00002 0.00000 0.00030 -0.00166 -0.00812 135 16 H 1S 0.00006 0.00000 0.00001 0.00000 0.00043 136 2S 0.00029 0.00000 0.00003 0.00037 0.00391 137 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00064 138 2S 0.00000 0.00001 0.00000 0.00081 0.00647 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 140 2S 0.00000 0.00000 0.00000 -0.00002 -0.00048 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 148 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00001 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00005 162 3PX 0.00000 0.00000 0.00000 0.00000 0.00014 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00006 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00000 0.00000 0.00000 177 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 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 116 117 118 119 120 116 13 H 1S 0.21519 117 2S 0.11332 0.15964 118 14 C 1S 0.00000 0.00014 2.05093 119 2S -0.00013 -0.00231 -0.01173 0.30675 120 2PX -0.00014 -0.00158 0.00000 0.00000 0.39946 121 2PY -0.00033 -0.00474 0.00000 0.00000 0.00000 122 2PZ -0.00001 -0.00023 0.00000 0.00000 0.00000 123 3S -0.00222 -0.00949 -0.03468 0.23023 0.00000 124 3PX -0.00148 -0.00415 0.00000 0.00000 0.10534 125 3PY -0.00193 -0.00662 0.00000 0.00000 0.00000 126 3PZ -0.00002 -0.00039 0.00000 0.00000 0.00000 127 4XX -0.00001 -0.00008 -0.00136 -0.00117 0.00000 128 4YY 0.00003 -0.00005 -0.00123 -0.00373 0.00000 129 4ZZ 0.00000 0.00021 -0.00136 -0.00110 0.00000 130 4XY 0.00006 0.00029 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00001 0.00003 0.00000 0.00000 0.00000 133 15 H 1S 0.00000 0.00037 -0.00165 0.02726 0.00377 134 2S 0.00043 0.00391 -0.00051 0.00973 0.00277 135 16 H 1S -0.00005 -0.00190 -0.00167 0.02754 0.08144 136 2S -0.00190 -0.00682 -0.00062 0.01033 0.05295 137 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S -0.00001 -0.00027 0.00000 0.00002 0.00000 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 140 2S 0.00000 0.00001 0.00000 -0.00012 0.00003 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3PX 0.00000 0.00000 0.00000 0.00000 0.00001 148 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 -0.00002 0.00000 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00000 0.00000 0.00000 177 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 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 121 122 123 124 125 121 2PY 0.38112 122 2PZ 0.00000 0.40015 123 3S 0.00000 0.00000 0.31660 124 3PX 0.00000 0.00000 0.00000 0.08895 125 3PY 0.09958 0.00000 0.00000 0.00000 0.08740 126 3PZ 0.00000 0.10200 0.00000 0.00000 0.00000 127 4XX 0.00000 0.00000 0.00038 0.00000 0.00000 128 4YY 0.00000 0.00000 -0.00323 0.00000 0.00000 129 4ZZ 0.00000 0.00000 -0.00091 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 H 1S 0.01178 0.08207 0.02945 0.00216 0.00756 134 2S 0.00736 0.05512 -0.00242 0.00260 0.00717 135 16 H 1S 0.00962 0.00595 0.03249 0.05358 0.00702 136 2S 0.00574 0.00400 0.00684 0.05341 0.00608 137 17 H 1S 0.00000 0.00000 0.00002 -0.00002 0.00000 138 2S -0.00001 -0.00002 0.00065 -0.00022 -0.00004 139 18 H 1S 0.00000 0.00000 -0.00035 -0.00019 -0.00006 140 2S 0.00002 0.00017 -0.00165 0.00045 0.00004 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 -0.00001 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00003 0.00013 0.00001 147 3PX 0.00000 0.00000 0.00014 0.00000 0.00002 148 3PY 0.00000 0.00000 -0.00002 -0.00002 0.00000 149 3PZ 0.00000 0.00000 -0.00003 -0.00001 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00001 0.00000 0.00001 162 3PX 0.00000 0.00000 0.00007 0.00002 0.00002 163 3PY 0.00000 0.00000 0.00001 0.00002 0.00001 164 3PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 -0.00001 -0.00001 0.00000 177 3PX 0.00000 0.00000 0.00002 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 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 126 127 128 129 130 126 3PZ 0.08364 127 4XX 0.00000 0.00161 128 4YY 0.00000 -0.00013 0.00123 129 4ZZ 0.00000 -0.00022 -0.00010 0.00156 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00089 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 H 1S 0.05195 -0.00099 -0.00081 0.00520 0.00006 134 2S 0.05288 -0.00306 -0.00121 0.00568 0.00002 135 16 H 1S 0.00302 0.00518 -0.00087 -0.00094 0.00172 136 2S 0.00313 0.00547 -0.00159 -0.00261 0.00038 137 17 H 1S -0.00001 0.00000 0.00000 0.00000 0.00000 138 2S -0.00021 0.00001 0.00000 0.00000 0.00000 139 18 H 1S -0.00020 0.00000 0.00000 0.00000 0.00000 140 2S -0.00017 -0.00009 0.00001 0.00005 0.00000 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3PX 0.00006 0.00000 0.00000 0.00000 0.00000 148 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00005 0.00000 0.00000 0.00000 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00001 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00000 0.00000 0.00000 177 3PX 0.00001 0.00000 0.00000 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 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 131 132 133 134 135 131 4XZ 0.00065 132 4YZ 0.00000 0.00095 133 15 H 1S 0.00045 0.00199 0.21677 134 2S 0.00009 0.00044 0.11803 0.17240 135 16 H 1S 0.00078 0.00010 -0.00052 -0.00875 0.21519 136 2S 0.00015 0.00003 -0.00805 -0.02613 0.11332 137 17 H 1S 0.00000 0.00000 0.00000 -0.00001 0.00000 138 2S 0.00000 0.00000 -0.00002 -0.00048 0.00000 139 18 H 1S 0.00000 0.00000 0.00000 0.00064 0.00000 140 2S 0.00001 0.00000 0.00081 0.00646 -0.00001 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00001 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00000 0.00005 0.00000 147 3PX 0.00000 0.00000 0.00000 0.00014 0.00000 148 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00000 0.00000 0.00000 -0.00006 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00000 0.00000 0.00000 177 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 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 136 137 138 139 140 136 2S 0.15964 137 17 H 1S 0.00000 0.21513 138 2S 0.00001 0.10465 0.14253 139 18 H 1S 0.00000 0.00000 -0.00011 0.21512 140 2S -0.00027 -0.00011 -0.00002 0.10465 0.14252 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00013 142 2S 0.00000 0.00000 0.00002 -0.00005 -0.00188 143 2PX 0.00000 0.00000 0.00009 -0.00002 -0.00014 144 2PY 0.00000 0.00000 0.00014 -0.00001 -0.00015 145 2PZ 0.00000 0.00000 -0.00001 -0.00014 -0.00395 146 3S 0.00000 0.00001 -0.00002 -0.00231 -0.01051 147 3PX -0.00002 0.00002 0.00085 0.00014 0.00252 148 3PY 0.00000 0.00003 0.00113 -0.00014 -0.00045 149 3PZ 0.00000 0.00001 -0.00016 -0.00334 -0.01531 150 4XX 0.00000 0.00000 0.00000 0.00002 0.00006 151 4YY 0.00000 0.00000 0.00002 0.00000 0.00015 152 4ZZ 0.00000 0.00000 0.00000 0.00005 0.00026 153 4XY 0.00000 0.00000 0.00000 0.00001 0.00002 154 4XZ 0.00000 0.00000 0.00000 0.00005 0.00006 155 4YZ 0.00000 0.00000 0.00000 0.00001 0.00004 156 20 O 1S 0.00000 0.00000 0.00013 0.00000 0.00000 157 2S 0.00000 -0.00005 -0.00188 0.00000 0.00002 158 2PX 0.00000 -0.00002 -0.00014 0.00000 0.00009 159 2PY 0.00000 -0.00001 -0.00015 0.00000 0.00014 160 2PZ 0.00000 -0.00014 -0.00395 0.00000 -0.00001 161 3S 0.00000 -0.00231 -0.01051 0.00001 -0.00002 162 3PX 0.00000 0.00014 0.00252 0.00002 0.00085 163 3PY 0.00000 -0.00014 -0.00045 0.00003 0.00113 164 3PZ 0.00000 -0.00334 -0.01531 0.00001 -0.00016 165 4XX 0.00000 0.00002 0.00006 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00015 0.00000 0.00002 167 4ZZ 0.00000 0.00005 0.00026 0.00000 0.00000 168 4XY 0.00000 0.00001 0.00002 0.00000 0.00000 169 4XZ 0.00000 0.00005 0.00006 0.00000 0.00000 170 4YZ 0.00000 0.00001 0.00004 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00019 0.00000 0.00019 173 2PX 0.00000 0.00000 0.00031 0.00000 0.00031 174 2PY 0.00000 0.00000 0.00014 0.00000 0.00014 175 2PZ 0.00000 0.00000 0.00020 0.00000 0.00020 176 3S 0.00000 0.00014 0.00130 0.00014 0.00130 177 3PX 0.00000 0.00027 0.00224 0.00027 0.00224 178 3PY 0.00000 0.00014 0.00069 0.00014 0.00069 179 3PZ 0.00000 -0.00003 -0.00005 -0.00003 -0.00005 180 4XX 0.00000 0.00000 0.00003 0.00000 0.00003 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 -0.00003 0.00000 -0.00003 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 -0.00002 0.00000 -0.00002 185 4YZ 0.00000 0.00000 -0.00001 0.00000 -0.00001 186 22 H 1S 0.00000 0.00000 -0.00001 0.00000 -0.00001 187 2S 0.00000 -0.00001 -0.00030 -0.00001 -0.00030 188 23 H 1S 0.00000 0.00000 0.00002 0.00000 0.00002 189 2S 0.00000 0.00002 0.00069 0.00002 0.00069 141 142 143 144 145 141 19 O 1S 2.07561 142 2S -0.04155 0.50274 143 2PX 0.00000 0.00000 0.61891 144 2PY 0.00000 0.00000 0.00000 0.66751 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.74389 146 3S -0.04121 0.45390 0.00000 0.00000 0.00000 147 3PX 0.00000 0.00000 0.18661 0.00000 0.00000 148 3PY 0.00000 0.00000 0.00000 0.21362 0.00000 149 3PZ 0.00000 0.00000 0.00000 0.00000 0.24767 150 4XX -0.00054 -0.00044 0.00000 0.00000 0.00000 151 4YY -0.00042 -0.00460 0.00000 0.00000 0.00000 152 4ZZ -0.00043 -0.00427 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 -0.00001 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 -0.00001 0.00000 -0.00010 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S -0.00001 0.00034 0.00000 -0.00120 0.00000 162 3PX 0.00000 0.00000 0.00018 0.00000 0.00000 163 3PY 0.00003 -0.00069 0.00000 -0.00639 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00009 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00002 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 -0.00001 -0.00009 -0.00022 -0.00001 172 2S -0.00002 0.00026 0.00486 0.01278 0.00044 173 2PX -0.00021 0.00431 0.00280 0.01956 0.00092 174 2PY -0.00042 0.00845 0.01806 0.02363 0.00241 175 2PZ -0.00003 0.00060 0.00094 0.00264 -0.00034 176 3S 0.00108 -0.01635 0.00313 0.01024 0.00013 177 3PX 0.00011 -0.00140 -0.00042 0.00692 0.00126 178 3PY -0.00016 0.00080 0.00862 0.00069 0.00080 179 3PZ 0.00004 -0.00043 0.00130 0.00105 0.00482 180 4XX 0.00001 -0.00014 -0.00045 0.00103 0.00029 181 4YY -0.00008 0.00203 0.00292 -0.00052 0.00023 182 4ZZ 0.00000 -0.00023 -0.00012 -0.00029 0.00016 183 4XY -0.00009 0.00192 0.00030 0.00429 0.00063 184 4XZ 0.00000 0.00007 0.00014 0.00043 0.00060 185 4YZ -0.00001 0.00021 0.00065 0.00050 0.00100 186 22 H 1S 0.00000 -0.00006 0.00000 -0.00004 -0.00019 187 2S 0.00008 -0.00110 0.00071 -0.00113 -0.00457 188 23 H 1S 0.00000 -0.00004 -0.00022 -0.00003 -0.00004 189 2S 0.00001 -0.00042 -0.00591 -0.00110 -0.00125 146 147 148 149 150 146 3S 0.76067 147 3PX 0.00000 0.23554 148 3PY 0.00000 0.00000 0.27450 149 3PZ 0.00000 0.00000 0.00000 0.33563 150 4XX -0.00047 0.00000 0.00000 0.00000 0.00074 151 4YY -0.01246 0.00000 0.00000 0.00000 -0.00009 152 4ZZ -0.00755 0.00000 0.00000 0.00000 0.00001 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S -0.00001 0.00000 0.00003 0.00000 0.00000 157 2S 0.00034 0.00000 -0.00069 0.00000 0.00000 158 2PX 0.00000 0.00018 0.00000 0.00000 0.00000 159 2PY -0.00120 0.00000 -0.00639 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 -0.00009 0.00000 161 3S 0.00560 0.00000 -0.00581 0.00000 0.00000 162 3PX 0.00000 0.00196 0.00000 0.00000 0.00000 163 3PY -0.00581 0.00000 -0.02512 0.00000 -0.00010 164 3PZ 0.00000 0.00000 0.00000 -0.00046 0.00000 165 4XX 0.00000 0.00000 -0.00010 0.00000 0.00000 166 4YY -0.00029 0.00000 0.00006 0.00000 0.00000 167 4ZZ 0.00001 0.00000 -0.00002 0.00000 0.00000 168 4XY 0.00000 0.00004 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 -0.00004 0.00000 171 21 C 1S 0.00079 -0.00067 -0.00307 -0.00002 -0.00001 172 2S -0.01391 0.00715 0.03008 -0.00002 0.00015 173 2PX 0.00530 -0.00185 0.02629 0.00031 -0.00040 174 2PY 0.00750 0.01886 0.01948 0.00196 -0.00013 175 2PZ 0.00095 0.00035 0.00330 -0.00369 0.00004 176 3S -0.06101 0.00328 0.02318 -0.00068 0.00066 177 3PX -0.00428 -0.00003 0.01058 0.00206 -0.00054 178 3PY -0.00380 0.01216 -0.00008 0.00064 0.00009 179 3PZ -0.00150 0.00206 0.00148 0.01139 -0.00001 180 4XX -0.00103 -0.00174 0.00219 0.00082 0.00001 181 4YY 0.00608 0.00421 -0.00090 0.00017 -0.00014 182 4ZZ -0.00190 -0.00015 -0.00117 -0.00027 0.00002 183 4XY 0.00162 0.00001 0.00175 0.00038 0.00000 184 4XZ -0.00005 -0.00003 0.00027 0.00127 -0.00001 185 4YZ 0.00003 0.00046 0.00018 0.00210 -0.00002 186 22 H 1S -0.00220 0.00067 -0.00044 -0.00420 0.00001 187 2S -0.00660 0.00501 -0.00346 -0.01726 -0.00005 188 23 H 1S -0.00132 -0.00548 -0.00051 -0.00094 0.00008 189 2S 0.00072 -0.02470 -0.00360 -0.00543 0.00050 151 152 153 154 155 151 4YY 0.00293 152 4ZZ -0.00010 0.00115 153 4XY 0.00000 0.00000 0.00154 154 4XZ 0.00000 0.00000 0.00000 0.00055 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00156 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00002 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S -0.00029 0.00001 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.00004 0.00000 0.00000 163 3PY 0.00006 -0.00002 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00004 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00003 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S -0.00016 0.00000 -0.00013 0.00000 -0.00001 172 2S 0.00282 -0.00022 0.00151 0.00003 0.00013 173 2PX 0.00333 -0.00025 0.00008 -0.00002 0.00010 174 2PY 0.00188 -0.00030 0.00119 -0.00003 -0.00003 175 2PZ 0.00040 0.00005 0.00022 0.00046 0.00064 176 3S 0.00293 -0.00014 0.00051 -0.00001 0.00005 177 3PX 0.00137 -0.00020 0.00003 0.00001 0.00004 178 3PY 0.00025 -0.00002 0.00008 -0.00003 0.00001 179 3PZ 0.00022 -0.00005 0.00007 0.00021 0.00047 180 4XX 0.00016 -0.00004 -0.00006 0.00000 0.00000 181 4YY -0.00006 -0.00004 0.00019 -0.00003 0.00002 182 4ZZ -0.00006 0.00004 -0.00002 -0.00001 0.00001 183 4XY 0.00028 -0.00007 0.00001 0.00001 0.00001 184 4XZ 0.00007 -0.00001 0.00000 -0.00001 0.00007 185 4YZ 0.00003 -0.00001 0.00005 0.00000 0.00011 186 22 H 1S 0.00000 0.00005 0.00001 0.00006 0.00003 187 2S -0.00021 0.00068 0.00002 0.00016 -0.00006 188 23 H 1S 0.00000 -0.00001 0.00002 0.00001 0.00000 189 2S -0.00032 -0.00031 -0.00016 0.00003 -0.00002 156 157 158 159 160 156 20 O 1S 2.07561 157 2S -0.04155 0.50274 158 2PX 0.00000 0.00000 0.61890 159 2PY 0.00000 0.00000 0.00000 0.66749 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.74390 161 3S -0.04121 0.45392 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.18661 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.21362 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.24768 165 4XX -0.00054 -0.00044 0.00000 0.00000 0.00000 166 4YY -0.00042 -0.00460 0.00000 0.00000 0.00000 167 4ZZ -0.00043 -0.00427 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 -0.00001 -0.00009 -0.00022 -0.00001 172 2S -0.00002 0.00026 0.00486 0.01278 0.00044 173 2PX -0.00021 0.00431 0.00280 0.01955 0.00092 174 2PY -0.00042 0.00845 0.01806 0.02363 0.00240 175 2PZ -0.00003 0.00060 0.00094 0.00264 -0.00034 176 3S 0.00108 -0.01635 0.00313 0.01024 0.00013 177 3PX 0.00011 -0.00140 -0.00042 0.00692 0.00126 178 3PY -0.00016 0.00079 0.00863 0.00069 0.00080 179 3PZ 0.00004 -0.00043 0.00130 0.00105 0.00483 180 4XX 0.00001 -0.00014 -0.00045 0.00103 0.00029 181 4YY -0.00008 0.00203 0.00292 -0.00052 0.00022 182 4ZZ 0.00000 -0.00023 -0.00012 -0.00029 0.00016 183 4XY -0.00009 0.00192 0.00030 0.00429 0.00062 184 4XZ 0.00000 0.00007 0.00014 0.00043 0.00060 185 4YZ -0.00001 0.00020 0.00065 0.00050 0.00100 186 22 H 1S 0.00000 -0.00006 0.00000 -0.00004 -0.00019 187 2S 0.00008 -0.00110 0.00071 -0.00113 -0.00457 188 23 H 1S 0.00000 -0.00004 -0.00022 -0.00003 -0.00004 189 2S 0.00001 -0.00042 -0.00591 -0.00110 -0.00126 161 162 163 164 165 161 3S 0.76072 162 3PX 0.00000 0.23555 163 3PY 0.00000 0.00000 0.27450 164 3PZ 0.00000 0.00000 0.00000 0.33564 165 4XX -0.00047 0.00000 0.00000 0.00000 0.00074 166 4YY -0.01246 0.00000 0.00000 0.00000 -0.00009 167 4ZZ -0.00755 0.00000 0.00000 0.00000 0.00001 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00079 -0.00067 -0.00307 -0.00002 -0.00001 172 2S -0.01391 0.00714 0.03007 -0.00002 0.00015 173 2PX 0.00530 -0.00185 0.02629 0.00031 -0.00040 174 2PY 0.00750 0.01886 0.01949 0.00196 -0.00013 175 2PZ 0.00095 0.00034 0.00330 -0.00369 0.00004 176 3S -0.06101 0.00328 0.02319 -0.00068 0.00066 177 3PX -0.00428 -0.00003 0.01059 0.00206 -0.00054 178 3PY -0.00380 0.01217 -0.00008 0.00063 0.00009 179 3PZ -0.00150 0.00206 0.00148 0.01139 -0.00001 180 4XX -0.00103 -0.00174 0.00219 0.00082 0.00001 181 4YY 0.00608 0.00421 -0.00089 0.00017 -0.00014 182 4ZZ -0.00190 -0.00015 -0.00117 -0.00027 0.00002 183 4XY 0.00162 0.00001 0.00175 0.00038 0.00000 184 4XZ -0.00005 -0.00003 0.00027 0.00127 -0.00001 185 4YZ 0.00003 0.00046 0.00018 0.00210 -0.00002 186 22 H 1S -0.00220 0.00066 -0.00045 -0.00420 0.00001 187 2S -0.00660 0.00501 -0.00347 -0.01725 -0.00005 188 23 H 1S -0.00132 -0.00548 -0.00051 -0.00094 0.00008 189 2S 0.00072 -0.02469 -0.00359 -0.00543 0.00050 166 167 168 169 170 166 4YY 0.00293 167 4ZZ -0.00010 0.00115 168 4XY 0.00000 0.00000 0.00154 169 4XZ 0.00000 0.00000 0.00000 0.00055 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00156 171 21 C 1S -0.00016 0.00000 -0.00013 0.00000 -0.00001 172 2S 0.00282 -0.00022 0.00151 0.00003 0.00013 173 2PX 0.00333 -0.00025 0.00008 -0.00002 0.00010 174 2PY 0.00188 -0.00030 0.00119 -0.00003 -0.00003 175 2PZ 0.00040 0.00005 0.00022 0.00046 0.00064 176 3S 0.00293 -0.00014 0.00051 -0.00001 0.00005 177 3PX 0.00137 -0.00020 0.00003 0.00001 0.00004 178 3PY 0.00025 -0.00002 0.00008 -0.00003 0.00001 179 3PZ 0.00022 -0.00005 0.00007 0.00021 0.00047 180 4XX 0.00016 -0.00004 -0.00006 0.00000 0.00000 181 4YY -0.00006 -0.00004 0.00019 -0.00003 0.00002 182 4ZZ -0.00006 0.00004 -0.00002 -0.00001 0.00001 183 4XY 0.00028 -0.00007 0.00001 0.00001 0.00001 184 4XZ 0.00007 -0.00001 0.00000 -0.00001 0.00007 185 4YZ 0.00003 -0.00001 0.00005 0.00000 0.00011 186 22 H 1S 0.00000 0.00005 0.00001 0.00006 0.00003 187 2S -0.00021 0.00068 0.00002 0.00016 -0.00006 188 23 H 1S 0.00000 -0.00001 0.00002 0.00001 0.00000 189 2S -0.00032 -0.00031 -0.00016 0.00003 -0.00002 171 172 173 174 175 171 21 C 1S 2.04988 172 2S -0.01438 0.34507 173 2PX 0.00000 0.00000 0.38990 174 2PY 0.00000 0.00000 0.00000 0.29479 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.46074 176 3S -0.02752 0.21128 0.00000 0.00000 0.00000 177 3PX 0.00000 0.00000 0.07400 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.04064 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.09175 180 4XX -0.00134 -0.00129 0.00000 0.00000 0.00000 181 4YY -0.00104 -0.00714 0.00000 0.00000 0.00000 182 4ZZ -0.00144 0.00069 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S -0.00195 0.03454 0.00451 0.00000 0.09810 187 2S -0.00120 0.01835 0.00137 0.00000 0.05859 188 23 H 1S -0.00180 0.03145 0.06346 0.00000 0.03569 189 2S -0.00075 0.01103 0.03861 0.00000 0.02493 176 177 178 179 180 176 3S 0.23163 177 3PX 0.00000 0.05548 178 3PY 0.00000 0.00000 0.02777 179 3PZ 0.00000 0.00000 0.00000 0.06559 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00243 181 4YY -0.00789 0.00000 0.00000 0.00000 -0.00038 182 4ZZ 0.00298 0.00000 0.00000 0.00000 -0.00021 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.03952 0.00465 0.00000 0.04426 -0.00138 187 2S 0.02206 0.00352 0.00000 0.03578 -0.00403 188 23 H 1S 0.04237 0.02812 0.00000 0.01373 0.00400 189 2S 0.02201 0.01756 0.00000 0.00990 0.00634 181 182 183 184 185 181 4YY 0.00355 182 4ZZ -0.00054 0.00259 183 4XY 0.00000 0.00000 0.00351 184 4XZ 0.00000 0.00000 0.00000 0.00234 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00183 186 22 H 1S -0.00137 0.00799 0.00000 0.00139 0.00000 187 2S -0.00220 0.00714 0.00000 0.00042 0.00000 188 23 H 1S -0.00149 -0.00043 0.00000 0.00467 0.00000 189 2S -0.00354 -0.00223 0.00000 0.00131 0.00000 186 187 188 189 186 22 H 1S 0.22384 187 2S 0.11187 0.15546 188 23 H 1S -0.00071 -0.01130 0.22402 189 2S -0.01251 -0.04312 0.12519 0.21157 Gross orbital populations: 1 1 1 C 1S 1.99196 2 2S 0.70788 3 2PX 0.60695 4 2PY 0.74878 5 2PZ 0.72130 6 3S 0.49775 7 3PX 0.40282 8 3PY 0.20002 9 3PZ 0.21532 10 4XX -0.01975 11 4YY 0.00166 12 4ZZ 0.00312 13 4XY 0.00646 14 4XZ 0.00532 15 4YZ 0.01200 16 2 C 1S 1.99262 17 2S 0.70375 18 2PX 0.60224 19 2PY 0.72573 20 2PZ 0.69719 21 3S 0.58678 22 3PX 0.33974 23 3PY 0.24541 24 3PZ 0.24617 25 4XX -0.01607 26 4YY 0.01166 27 4ZZ -0.00554 28 4XY 0.00345 29 4XZ 0.00783 30 4YZ 0.00693 31 3 C 1S 1.99262 32 2S 0.70375 33 2PX 0.60226 34 2PY 0.72574 35 2PZ 0.69717 36 3S 0.58679 37 3PX 0.33970 38 3PY 0.24544 39 3PZ 0.24617 40 4XX -0.01606 41 4YY 0.01166 42 4ZZ -0.00554 43 4XY 0.00345 44 4XZ 0.00783 45 4YZ 0.00693 46 4 C 1S 1.99196 47 2S 0.70788 48 2PX 0.60696 49 2PY 0.74878 50 2PZ 0.72129 51 3S 0.49775 52 3PX 0.40282 53 3PY 0.20001 54 3PZ 0.21532 55 4XX -0.01975 56 4YY 0.00166 57 4ZZ 0.00313 58 4XY 0.00646 59 4XZ 0.00532 60 4YZ 0.01200 61 5 H 1S 0.53326 62 2S 0.34344 63 6 H 1S 0.53326 64 2S 0.34344 65 7 C 1S 1.99220 66 2S 0.70368 67 2PX 0.60645 68 2PY 0.75456 69 2PZ 0.64392 70 3S 0.48906 71 3PX 0.27376 72 3PY 0.17606 73 3PZ 0.24778 74 4XX -0.00674 75 4YY 0.00492 76 4ZZ -0.00147 77 4XY 0.01211 78 4XZ 0.01183 79 4YZ 0.01347 80 8 C 1S 1.99220 81 2S 0.70368 82 2PX 0.60645 83 2PY 0.75458 84 2PZ 0.64390 85 3S 0.48908 86 3PX 0.27374 87 3PY 0.17608 88 3PZ 0.24779 89 4XX -0.00674 90 4YY 0.00492 91 4ZZ -0.00147 92 4XY 0.01211 93 4XZ 0.01183 94 4YZ 0.01347 95 9 H 1S 0.53316 96 2S 0.34211 97 10 H 1S 0.53316 98 2S 0.34212 99 11 C 1S 1.99218 100 2S 0.68146 101 2PX 0.70887 102 2PY 0.68425 103 2PZ 0.71024 104 3S 0.58576 105 3PX 0.31161 106 3PY 0.27243 107 3PZ 0.30474 108 4XX 0.00442 109 4YY -0.00230 110 4ZZ 0.00462 111 4XY 0.00713 112 4XZ 0.00536 113 4YZ 0.00752 114 12 H 1S 0.53342 115 2S 0.33924 116 13 H 1S 0.52925 117 2S 0.32172 118 14 C 1S 1.99218 119 2S 0.68146 120 2PX 0.70886 121 2PY 0.68425 122 2PZ 0.71024 123 3S 0.58577 124 3PX 0.31163 125 3PY 0.27241 126 3PZ 0.30475 127 4XX 0.00442 128 4YY -0.00230 129 4ZZ 0.00462 130 4XY 0.00713 131 4XZ 0.00535 132 4YZ 0.00752 133 15 H 1S 0.53342 134 2S 0.33923 135 16 H 1S 0.52925 136 2S 0.32172 137 17 H 1S 0.52886 138 2S 0.31107 139 18 H 1S 0.52886 140 2S 0.31107 141 19 O 1S 1.99235 142 2S 0.89849 143 2PX 0.90460 144 2PY 0.96627 145 2PZ 1.04402 146 3S 1.01129 147 3PX 0.48631 148 3PY 0.56110 149 3PZ 0.60066 150 4XX 0.00299 151 4YY -0.00142 152 4ZZ -0.00756 153 4XY 0.00877 154 4XZ 0.00462 155 4YZ 0.00584 156 20 O 1S 1.99235 157 2S 0.89849 158 2PX 0.90459 159 2PY 0.96624 160 2PZ 1.04403 161 3S 1.01133 162 3PX 0.48632 163 3PY 0.56110 164 3PZ 0.60068 165 4XX 0.00299 166 4YY -0.00142 167 4ZZ -0.00756 168 4XY 0.00877 169 4XZ 0.00462 170 4YZ 0.00583 171 21 C 1S 1.99194 172 2S 0.71161 173 2PX 0.67629 174 2PY 0.53364 175 2PZ 0.77484 176 3S 0.44898 177 3PX 0.18877 178 3PY 0.10122 179 3PZ 0.28847 180 4XX 0.00761 181 4YY 0.00402 182 4ZZ 0.01050 183 4XY 0.02513 184 4XZ 0.01634 185 4YZ 0.01270 186 22 H 1S 0.54104 187 2S 0.30637 188 23 H 1S 0.54065 189 2S 0.33335 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 4.863714 0.567575 -0.040449 0.513833 0.366953 -0.050069 2 C 0.567575 4.996726 -0.023077 -0.040454 -0.049076 0.005863 3 C -0.040449 -0.023077 4.996761 0.567561 0.005863 -0.049075 4 C 0.513833 -0.040454 0.567561 4.863744 -0.050069 0.366954 5 H 0.366953 -0.049076 0.005863 -0.050069 0.612031 -0.007056 6 H -0.050069 0.005863 -0.049075 0.366954 -0.007056 0.612029 7 C -0.014269 0.108657 -0.005100 -0.027140 0.000047 0.000247 8 C -0.027133 -0.005092 0.108679 -0.014285 0.000247 0.000046 9 H 0.007059 0.000197 0.361728 -0.038390 -0.000146 -0.007911 10 H -0.038391 0.361729 0.000197 0.007059 -0.007911 -0.000146 11 C -0.030117 -0.035091 0.371235 -0.024795 -0.000116 0.005622 12 H 0.000899 0.001629 -0.037712 0.003490 0.000016 -0.000185 13 H 0.001827 0.002205 -0.034286 -0.005806 -0.000002 -0.000064 14 C -0.024797 0.371244 -0.035090 -0.030117 0.005622 -0.000116 15 H 0.003489 -0.037705 0.001629 0.000899 -0.000185 0.000016 16 H -0.005807 -0.034293 0.002205 0.001827 -0.000064 -0.000002 17 H 0.001155 0.001566 -0.025393 -0.000241 0.000012 -0.000105 18 H -0.000242 -0.025379 0.001567 0.001155 -0.000105 0.000012 19 O 0.001625 -0.020433 -0.000063 0.002495 0.000454 -0.000013 20 O 0.002493 -0.000063 -0.020447 0.001625 -0.000013 0.000455 21 C 0.002093 0.001061 0.001062 0.002094 0.000109 0.000109 22 H -0.000026 0.000223 0.000223 -0.000027 0.000087 0.000087 23 H 0.000173 -0.000104 -0.000104 0.000173 0.000002 0.000002 7 8 9 10 11 12 1 C -0.014269 -0.027133 0.007059 -0.038391 -0.030117 0.000899 2 C 0.108657 -0.005092 0.000197 0.361729 -0.035091 0.001629 3 C -0.005100 0.108679 0.361728 0.000197 0.371235 -0.037712 4 C -0.027140 -0.014285 -0.038390 0.007059 -0.024795 0.003490 5 H 0.000047 0.000247 -0.000146 -0.007911 -0.000116 0.000016 6 H 0.000247 0.000046 -0.007911 -0.000146 0.005622 -0.000185 7 C 4.925820 0.511385 0.000945 -0.008921 -0.008677 0.000464 8 C 0.511385 4.925865 -0.008929 0.000944 -0.016338 -0.005290 9 H 0.000945 -0.008929 0.610151 -0.000003 -0.053191 -0.001211 10 H -0.008921 0.000944 -0.000003 0.610156 0.005215 -0.000165 11 C -0.008677 -0.016338 -0.053191 0.005215 5.075095 0.356909 12 H 0.000464 -0.005290 -0.001211 -0.000165 0.356909 0.625250 13 H 0.000388 0.002107 -0.000543 -0.000109 0.368641 -0.043449 14 C -0.016321 -0.008675 0.005215 -0.053192 0.329146 -0.028744 15 H -0.005286 0.000464 -0.000165 -0.001212 -0.028743 -0.011487 16 H 0.002106 0.000388 -0.000109 -0.000541 -0.035155 0.004711 17 H -0.045552 0.363407 0.000006 -0.000045 -0.002067 0.007916 18 H 0.363413 -0.045553 -0.000045 0.000007 0.000178 -0.000511 19 O 0.232657 -0.040901 -0.000014 0.000694 0.000172 -0.000004 20 O -0.040899 0.232638 0.000695 -0.000014 0.000367 0.000142 21 C -0.062518 -0.062513 -0.000074 -0.000074 0.000003 -0.000011 22 H 0.005087 0.005086 0.000003 0.000003 -0.000003 -0.000001 23 H 0.005054 0.005053 0.000000 0.000000 0.000003 0.000001 13 14 15 16 17 18 1 C 0.001827 -0.024797 0.003489 -0.005807 0.001155 -0.000242 2 C 0.002205 0.371244 -0.037705 -0.034293 0.001566 -0.025379 3 C -0.034286 -0.035090 0.001629 0.002205 -0.025393 0.001567 4 C -0.005806 -0.030117 0.000899 0.001827 -0.000241 0.001155 5 H -0.000002 0.005622 -0.000185 -0.000064 0.000012 -0.000105 6 H -0.000064 -0.000116 0.000016 -0.000002 -0.000105 0.000012 7 C 0.000388 -0.016321 -0.005286 0.002106 -0.045552 0.363413 8 C 0.002107 -0.008675 0.000464 0.000388 0.363407 -0.045553 9 H -0.000543 0.005215 -0.000165 -0.000109 0.000006 -0.000045 10 H -0.000109 -0.053192 -0.001212 -0.000541 -0.000045 0.000007 11 C 0.368641 0.329146 -0.028743 -0.035155 -0.002067 0.000178 12 H -0.043449 -0.028744 -0.011487 0.004711 0.007916 -0.000511 13 H 0.601469 -0.035152 0.004711 -0.010679 -0.000275 0.000014 14 C -0.035152 5.075070 0.356911 0.368646 0.000177 -0.002065 15 H 0.004711 0.356911 0.625239 -0.043449 -0.000511 0.007909 16 H -0.010679 0.368646 -0.043449 0.601470 0.000014 -0.000275 17 H -0.000275 0.000177 -0.000511 0.000014 0.566964 -0.000241 18 H 0.000014 -0.002065 0.007909 -0.000275 -0.000241 0.566947 19 O -0.000001 0.000367 0.000142 -0.000024 0.002095 -0.034867 20 O -0.000024 0.000172 -0.000004 -0.000001 -0.034866 0.002095 21 C 0.000000 0.000003 -0.000011 0.000000 0.005511 0.005511 22 H 0.000000 -0.000003 -0.000001 0.000000 -0.000316 -0.000316 23 H 0.000000 0.000003 0.000001 0.000000 0.000722 0.000722 19 20 21 22 23 1 C 0.001625 0.002493 0.002093 -0.000026 0.000173 2 C -0.020433 -0.000063 0.001061 0.000223 -0.000104 3 C -0.000063 -0.020447 0.001062 0.000223 -0.000104 4 C 0.002495 0.001625 0.002094 -0.000027 0.000173 5 H 0.000454 -0.000013 0.000109 0.000087 0.000002 6 H -0.000013 0.000455 0.000109 0.000087 0.000002 7 C 0.232657 -0.040899 -0.062518 0.005087 0.005054 8 C -0.040901 0.232638 -0.062513 0.005086 0.005053 9 H -0.000014 0.000695 -0.000074 0.000003 0.000000 10 H 0.000694 -0.000014 -0.000074 0.000003 0.000000 11 C 0.000172 0.000367 0.000003 -0.000003 0.000003 12 H -0.000004 0.000142 -0.000011 -0.000001 0.000001 13 H -0.000001 -0.000024 0.000000 0.000000 0.000000 14 C 0.000367 0.000172 0.000003 -0.000003 0.000003 15 H 0.000142 -0.000004 -0.000011 -0.000001 0.000001 16 H -0.000024 -0.000001 0.000000 0.000000 0.000000 17 H 0.002095 -0.034866 0.005511 -0.000316 0.000722 18 H -0.034867 0.002095 0.005511 -0.000316 0.000722 19 O 8.198840 -0.046024 0.265682 -0.034073 -0.050483 20 O -0.046024 8.198913 0.265663 -0.034073 -0.050475 21 C 0.265682 0.265663 4.653410 0.370049 0.344919 22 H -0.034073 -0.034073 0.370049 0.603042 -0.067638 23 H -0.050483 -0.050475 0.344919 -0.067638 0.685975 Mulliken charges: 1 1 C -0.101589 2 C -0.147907 3 C -0.147911 4 C -0.101585 5 H 0.123301 6 H 0.123301 7 C 0.078414 8 C 0.078399 9 H 0.124730 10 H 0.124722 11 C -0.278291 12 H 0.127343 13 H 0.149027 14 C -0.278302 15 H 0.127349 16 H 0.149031 17 H 0.160067 18 H 0.160068 19 O -0.478322 20 O -0.478354 21 C 0.207918 22 H 0.152585 23 H 0.126005 Sum of Mulliken charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C 0.021713 2 C -0.023185 3 C -0.023181 4 C 0.021716 7 C 0.238483 8 C 0.238466 11 C -0.001921 14 C -0.001922 19 O -0.478322 20 O -0.478354 21 C 0.486508 APT charges: 1 1 C -0.457284 2 C -0.547918 3 C -0.547892 4 C -0.457307 5 H 0.484433 6 H 0.484420 7 C -0.367724 8 C -0.367670 9 H 0.474771 10 H 0.474807 11 C -0.928945 12 H 0.388652 13 H 0.582126 14 C -0.928987 15 H 0.388694 16 H 0.582126 17 H 0.471964 18 H 0.471990 19 O -0.293014 20 O -0.293080 21 C -0.634960 22 H 0.467303 23 H 0.553493 Sum of APT charges = 0.00000 APT charges with hydrogens summed into heavy atoms: 1 1 C 0.027150 2 C -0.073111 3 C -0.073120 4 C 0.027114 7 C 0.104266 8 C 0.104294 11 C 0.041833 14 C 0.041833 19 O -0.293014 20 O -0.293080 21 C 0.385837 Electronic spatial extent (au): = 1485.1838 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.1277 Y= 0.0000 Z= -1.0842 Tot= 1.0917 Quadrupole moment (field-independent basis, Debye-Ang): XX= -63.5567 YY= -66.3029 ZZ= -62.1438 XY= 0.0005 XZ= -2.8235 YZ= -0.0005 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 0.4444 YY= -2.3017 ZZ= 1.8573 XY= 0.0005 XZ= -2.8235 YZ= -0.0005 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -28.7730 YYY= 0.0003 ZZZ= -0.9009 XYY= 4.0794 XXY= -0.0019 XXZ= 0.4492 XZZ= -11.0201 YZZ= -0.0017 YYZ= -2.8064 XYZ= 0.0012 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1039.9192 YYYY= -453.5169 ZZZZ= -374.8152 XXXY= 0.0081 XXXZ= -18.8644 YYYX= -0.0019 YYYZ= -0.0003 ZZZX= -10.3957 ZZZY= 0.0022 XXYY= -281.2269 XXZZ= -255.2299 YYZZ= -134.4998 XXYZ= -0.0007 YYXZ= -1.1856 ZZXY= 0.0000 N-N= 6.491440056886D+02 E-N=-2.463395816850D+03 KE= 4.958692652664D+02 Orbital energies and kinetic energies (alpha): 1 2 1 O -19.168149 29.026258 2 O -19.168139 29.026362 3 O -10.286018 15.888299 4 O -10.237377 15.880866 5 O -10.236769 15.892190 6 O -10.185786 15.881676 7 O -10.185616 15.887771 8 O -10.184999 15.891294 9 O -10.184984 15.885120 10 O -10.169179 15.876564 11 O -10.168690 15.886139 12 O -1.102109 2.290456 13 O -1.006399 2.783782 14 O -0.830584 1.393775 15 O -0.761095 1.732924 16 O -0.735993 1.473514 17 O -0.729961 1.511909 18 O -0.641461 1.871418 19 O -0.607845 1.695543 20 O -0.606734 1.506324 21 O -0.585296 1.405903 22 O -0.528806 1.344203 23 O -0.500670 1.235697 24 O -0.494694 0.988508 25 O -0.470844 1.372462 26 O -0.453092 1.129644 27 O -0.451443 1.558083 28 O -0.439885 1.455834 29 O -0.408474 1.373777 30 O -0.397520 1.222885 31 O -0.388482 1.335049 32 O -0.379526 1.738298 33 O -0.362686 1.577649 34 O -0.351211 2.029736 35 O -0.345824 1.372092 36 O -0.328486 2.079985 37 O -0.322521 1.475110 38 O -0.317249 1.376131 39 O -0.274648 1.485749 40 O -0.196484 1.364431 41 O -0.190523 1.731220 42 V -0.004622 1.485913 43 V 0.015429 1.609506 44 V 0.081002 0.915254 45 V 0.109307 1.687694 46 V 0.112674 1.183818 47 V 0.119658 0.934102 48 V 0.130575 1.027776 49 V 0.133831 1.168439 50 V 0.145672 1.769731 51 V 0.154503 1.476375 52 V 0.169648 1.340568 53 V 0.171646 1.166231 54 V 0.175194 1.480420 55 V 0.180017 1.673764 56 V 0.197234 1.280037 57 V 0.202999 1.210228 58 V 0.212517 2.247473 59 V 0.242897 1.377350 60 V 0.243183 1.426395 61 V 0.247892 1.298396 62 V 0.305768 1.659874 63 V 0.317431 1.461576 64 V 0.328663 1.784583 65 V 0.375847 2.420417 66 V 0.435524 1.974849 67 V 0.470782 1.836082 68 V 0.482679 1.849475 69 V 0.487323 1.723650 70 V 0.505738 1.943786 71 V 0.530411 2.088331 72 V 0.534107 2.109443 73 V 0.546824 2.682776 74 V 0.570172 2.010547 75 V 0.573646 2.105219 76 V 0.582494 1.892984 77 V 0.582918 2.333052 78 V 0.605968 2.037512 79 V 0.626453 1.941507 80 V 0.646686 2.544739 81 V 0.651716 2.585714 82 V 0.680281 2.396435 83 V 0.691767 2.207362 84 V 0.725480 2.419993 85 V 0.738152 2.502925 86 V 0.747071 2.102194 87 V 0.763054 2.595473 88 V 0.804861 2.689981 89 V 0.813008 2.493181 90 V 0.824744 2.636384 91 V 0.835673 2.550307 92 V 0.847824 2.543970 93 V 0.849115 2.717502 94 V 0.859132 2.467492 95 V 0.866605 2.758922 96 V 0.882315 2.477222 97 V 0.888053 2.763377 98 V 0.891083 2.716589 99 V 0.897255 2.420999 100 V 0.904022 2.640311 101 V 0.919493 2.645932 102 V 0.950562 2.581727 103 V 0.962271 2.723162 104 V 0.973373 2.502481 105 V 0.985599 2.702286 106 V 1.011338 2.626574 107 V 1.053429 2.444076 108 V 1.076141 2.863364 109 V 1.120399 2.670385 110 V 1.129685 2.448635 111 V 1.140314 2.491350 112 V 1.148122 2.912375 113 V 1.199602 2.731494 114 V 1.202989 2.410052 115 V 1.251524 2.443010 116 V 1.289954 2.615063 117 V 1.314303 3.087866 118 V 1.329332 2.513739 119 V 1.399909 2.550933 120 V 1.415035 2.593766 121 V 1.441391 2.613856 122 V 1.462966 2.614738 123 V 1.486721 2.665757 124 V 1.533130 2.751254 125 V 1.563907 2.815436 126 V 1.584149 2.784706 127 V 1.628986 2.826446 128 V 1.644044 2.794696 129 V 1.679811 2.874999 130 V 1.732446 2.883952 131 V 1.746846 2.873355 132 V 1.759793 3.108723 133 V 1.792177 3.008128 134 V 1.857993 3.081148 135 V 1.870875 3.167655 136 V 1.893836 3.375157 137 V 1.898626 3.265949 138 V 1.944163 3.272812 139 V 1.961289 3.454042 140 V 1.963136 3.440098 141 V 1.988867 3.731163 142 V 2.013185 3.677477 143 V 2.015464 3.676489 144 V 2.023228 3.500480 145 V 2.059287 3.569039 146 V 2.077819 3.498437 147 V 2.098784 3.469644 148 V 2.113554 3.535490 149 V 2.181187 3.674540 150 V 2.183679 3.631461 151 V 2.237855 3.551336 152 V 2.261896 3.625819 153 V 2.278269 3.581074 154 V 2.279632 3.533983 155 V 2.316283 3.724505 156 V 2.318617 3.591502 157 V 2.372400 3.754118 158 V 2.414593 3.847208 159 V 2.448610 3.809426 160 V 2.459891 3.794902 161 V 2.464056 3.874358 162 V 2.482319 3.840128 163 V 2.510886 4.035237 164 V 2.550382 3.953478 165 V 2.590762 4.382776 166 V 2.633652 4.414831 167 V 2.648749 4.252936 168 V 2.674128 4.230533 169 V 2.691907 4.389543 170 V 2.701522 4.314777 171 V 2.754778 4.306911 172 V 2.767553 4.287510 173 V 2.803455 4.638568 174 V 2.888697 4.501867 175 V 2.896769 4.660120 176 V 2.943394 4.756900 177 V 3.132755 4.935493 178 V 3.137583 4.878395 179 V 4.011837 10.923766 180 V 4.124328 10.774149 181 V 4.127728 10.127336 182 V 4.223107 10.317866 183 V 4.288375 10.231860 184 V 4.360764 10.435634 185 V 4.379902 10.329709 186 V 4.448622 10.394597 187 V 4.509000 10.502714 188 V 4.603251 10.567462 189 V 4.870950 11.529644 Total kinetic energy from orbitals= 4.958692652664D+02 Exact polarizability: 0.000 0.000 0.000 0.000 0.000 0.000 Approx polarizability: 162.475 -0.004 175.999 16.890 0.004 166.124 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 -0.000001390 0.000001223 -0.000001882 2 6 0.000001029 -0.000001021 0.000002939 3 6 0.000002041 0.000000726 0.000000047 4 6 0.000001033 -0.000000082 0.000000348 5 1 0.000000854 -0.000000092 -0.000000006 6 1 0.000000777 -0.000000189 -0.000000139 7 6 -0.000005172 0.000001367 0.000000895 8 6 -0.000007060 0.000003241 0.000001115 9 1 0.000001674 0.000000429 0.000000762 10 1 -0.000000403 -0.000000141 -0.000000677 11 6 -0.000000025 -0.000000571 -0.000001469 12 1 -0.000000610 0.000000061 -0.000001413 13 1 -0.000000238 -0.000000144 -0.000000946 14 6 -0.000002126 0.000000886 -0.000001562 15 1 -0.000001506 0.000000562 -0.000000704 16 1 -0.000000245 -0.000000486 -0.000002157 17 1 -0.000001864 -0.000000158 0.000000014 18 1 0.000000277 0.000000773 0.000000948 19 8 0.000011626 -0.000015930 0.000001458 20 8 -0.000005721 -0.000013733 -0.000001894 21 6 0.000005088 0.000021416 -0.000000959 22 1 0.000002192 -0.000002586 0.000002430 23 1 -0.000000232 0.000004447 0.000002851 ------------------------------------------------------------------- Cartesian Forces: Max 0.000021416 RMS 0.000004330 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max 0.000014955 RMS 0.000001919 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 0.00208 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 0.08428 Eigenvalues --- 0.08962 0.09810 0.10320 0.11072 0.11541 Eigenvalues --- 0.11834 0.12364 0.13156 0.14699 0.17379 Eigenvalues --- 0.22025 0.23168 0.24435 0.26720 0.28152 Eigenvalues --- 0.29530 0.29696 0.31246 0.32495 0.32654 Eigenvalues --- 0.32770 0.33124 0.34548 0.35129 0.35372 Eigenvalues --- 0.35381 0.35551 0.35788 0.35961 0.40529 Eigenvalues --- 0.42061 0.42958 0.43983 Eigenvectors required to have negative eigenvalues: R8 R4 D58 D60 D73 1 0.54419 0.54414 0.15998 -0.15998 0.14214 D67 D33 D3 D46 D20 1 -0.14212 0.12528 -0.12526 -0.11900 0.11898 RFO step: Lambda0=1.518148125D-10 Lambda= 0.00000000D+00. Linear search not attempted -- option 19 set. Iteration 1 RMS(Cart)= 0.00013367 RMS(Int)= 0.00000001 Iteration 2 RMS(Cart)= 0.00000002 RMS(Int)= 0.00000000 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.61305 0.00000 0.00000 0.00001 0.00001 2.61306 R2 2.66723 0.00000 0.00000 -0.00001 -0.00001 2.66722 R3 2.05428 0.00000 0.00000 0.00000 0.00000 2.05428 R4 4.34863 0.00000 0.00000 -0.00031 -0.00031 4.34832 R5 2.05777 0.00000 0.00000 0.00000 0.00000 2.05777 R6 2.86223 0.00000 0.00000 0.00001 0.00001 2.86224 R7 2.61306 0.00000 0.00000 0.00000 0.00000 2.61306 R8 4.34811 0.00000 0.00000 0.00022 0.00022 4.34833 R9 2.05777 0.00000 0.00000 0.00000 0.00000 2.05777 R10 2.86224 0.00000 0.00000 0.00000 0.00000 2.86224 R11 2.05428 0.00000 0.00000 0.00000 0.00000 2.05428 R12 2.61424 0.00000 0.00000 0.00001 0.00001 2.61425 R13 2.04355 0.00000 0.00000 0.00000 0.00000 2.04356 R14 2.63214 0.00000 0.00000 -0.00001 -0.00001 2.63212 R15 2.04356 0.00000 0.00000 0.00000 0.00000 2.04356 R16 2.63216 -0.00001 0.00000 -0.00004 -0.00004 2.63212 R17 2.07553 0.00000 0.00000 0.00000 0.00000 2.07553 R18 2.07629 0.00000 0.00000 0.00000 0.00000 2.07629 R19 2.94356 0.00000 0.00000 0.00000 0.00000 2.94355 R20 4.42156 0.00000 0.00000 0.00043 0.00043 4.42199 R21 2.07553 0.00000 0.00000 0.00000 0.00000 2.07553 R22 2.07629 0.00000 0.00000 0.00000 0.00000 2.07629 R23 4.42227 0.00000 0.00000 -0.00029 -0.00029 4.42199 R24 2.68434 0.00001 0.00000 0.00006 0.00006 2.68440 R25 2.68445 -0.00001 0.00000 -0.00005 -0.00005 2.68440 R26 2.06654 0.00000 0.00000 0.00001 0.00001 2.06655 R27 2.08726 0.00000 0.00000 -0.00001 -0.00001 2.08725 A1 2.06894 0.00000 0.00000 -0.00001 -0.00001 2.06893 A2 2.09668 0.00000 0.00000 0.00000 0.00000 2.09668 A3 2.09024 0.00000 0.00000 0.00000 0.00000 2.09024 A4 1.69844 0.00000 0.00000 0.00005 0.00005 1.69849 A5 2.07696 0.00000 0.00000 -0.00001 -0.00001 2.07695 A6 2.10607 0.00000 0.00000 0.00000 0.00000 2.10607 A7 1.73630 0.00000 0.00000 -0.00004 -0.00004 1.73626 A8 1.64391 0.00000 0.00000 0.00002 0.00002 1.64394 A9 2.02369 0.00000 0.00000 -0.00001 -0.00001 2.02368 A10 1.69856 0.00000 0.00000 -0.00007 -0.00007 1.69849 A11 2.07695 0.00000 0.00000 0.00000 0.00000 2.07695 A12 2.10607 0.00000 0.00000 0.00000 0.00000 2.10607 A13 1.73619 0.00000 0.00000 0.00007 0.00007 1.73626 A14 1.64394 0.00000 0.00000 0.00000 0.00000 1.64394 A15 2.02368 0.00000 0.00000 0.00000 0.00000 2.02368 A16 2.06893 0.00000 0.00000 0.00000 0.00000 2.06893 A17 2.09024 0.00000 0.00000 0.00000 0.00000 2.09024 A18 2.09668 0.00000 0.00000 0.00000 0.00000 2.09668 A19 1.86833 0.00000 0.00000 0.00005 0.00005 1.86838 A20 1.54599 0.00000 0.00000 0.00006 0.00006 1.54605 A21 1.78488 0.00000 0.00000 -0.00005 -0.00005 1.78483 A22 2.22094 0.00000 0.00000 -0.00005 -0.00005 2.22089 A23 1.90154 0.00000 0.00000 0.00002 0.00002 1.90156 A24 2.03265 0.00000 0.00000 -0.00001 -0.00001 2.03264 A25 1.86843 0.00000 0.00000 -0.00005 -0.00005 1.86838 A26 1.54602 0.00000 0.00000 0.00003 0.00003 1.54605 A27 1.78483 0.00000 0.00000 0.00000 0.00000 1.78483 A28 2.22087 0.00000 0.00000 0.00001 0.00001 2.22089 A29 1.90155 0.00000 0.00000 0.00000 0.00000 1.90156 A30 2.03265 0.00000 0.00000 -0.00001 -0.00001 2.03264 A31 1.92273 0.00000 0.00000 0.00001 0.00001 1.92274 A32 1.88598 0.00000 0.00000 -0.00001 -0.00001 1.88597 A33 1.96917 0.00000 0.00000 0.00000 0.00000 1.96917 A34 1.83824 0.00000 0.00000 0.00000 0.00000 1.83825 A35 1.93666 0.00000 0.00000 0.00000 0.00000 1.93667 A36 1.90563 0.00000 0.00000 0.00000 0.00000 1.90562 A37 1.77317 0.00000 0.00000 -0.00005 -0.00005 1.77312 A38 1.96918 0.00000 0.00000 0.00000 0.00000 1.96917 A39 1.92275 0.00000 0.00000 -0.00001 -0.00001 1.92274 A40 1.88596 0.00000 0.00000 0.00001 0.00001 1.88597 A41 1.93667 0.00000 0.00000 -0.00001 -0.00001 1.93667 A42 1.90562 0.00000 0.00000 0.00001 0.00001 1.90562 A43 1.83825 0.00000 0.00000 0.00000 0.00000 1.83825 A44 1.77307 0.00000 0.00000 0.00005 0.00005 1.77312 A45 1.81547 0.00000 0.00000 -0.00006 -0.00006 1.81541 A46 1.81542 0.00000 0.00000 -0.00002 -0.00002 1.81541 A47 1.84720 -0.00001 0.00000 0.00001 0.00001 1.84721 A48 1.84716 0.00000 0.00000 0.00006 0.00006 1.84721 A49 1.87258 0.00000 0.00000 0.00003 0.00003 1.87260 A50 1.91224 0.00000 0.00000 -0.00004 -0.00004 1.91220 A51 1.91793 0.00000 0.00000 0.00002 0.00002 1.91795 A52 1.91218 0.00000 0.00000 0.00002 0.00002 1.91220 A53 1.91796 0.00000 0.00000 -0.00001 -0.00001 1.91795 A54 1.93006 0.00000 0.00000 -0.00001 -0.00001 1.93005 D1 -1.15231 0.00000 0.00000 -0.00003 -0.00003 -1.15234 D2 -2.98723 0.00000 0.00000 -0.00001 -0.00001 -2.98724 D3 0.58094 0.00000 0.00000 0.00002 0.00002 0.58096 D4 1.73974 0.00000 0.00000 -0.00005 -0.00005 1.73970 D5 -0.09518 0.00000 0.00000 -0.00002 -0.00002 -0.09520 D6 -2.81019 0.00000 0.00000 0.00001 0.00001 -2.81018 D7 0.00004 0.00000 0.00000 -0.00004 -0.00004 0.00000 D8 2.89301 0.00000 0.00000 -0.00002 -0.00002 2.89298 D9 -2.89296 0.00000 0.00000 -0.00002 -0.00002 -2.89298 D10 0.00001 0.00000 0.00000 -0.00001 -0.00001 0.00000 D11 0.99655 0.00000 0.00000 -0.00004 -0.00004 0.99651 D12 -3.03981 0.00000 0.00000 -0.00006 -0.00006 -3.03987 D13 -1.00139 0.00000 0.00000 -0.00006 -0.00006 -1.00145 D14 3.11070 0.00000 0.00000 -0.00004 -0.00004 3.11066 D15 -0.92566 0.00000 0.00000 -0.00006 -0.00006 -0.92572 D16 1.11276 0.00000 0.00000 -0.00006 -0.00006 1.11270 D17 -1.12701 0.00000 0.00000 -0.00005 -0.00005 -1.12706 D18 1.11982 0.00000 0.00000 -0.00007 -0.00007 1.11975 D19 -3.12494 0.00000 0.00000 -0.00007 -0.00007 -3.12502 D20 -0.55049 0.00000 0.00000 0.00002 0.00002 -0.55048 D21 -2.72546 0.00000 0.00000 0.00004 0.00004 -2.72542 D22 1.55805 0.00000 0.00000 0.00004 0.00004 1.55809 D23 1.21334 0.00000 0.00000 0.00009 0.00009 1.21342 D24 -0.96163 0.00000 0.00000 0.00011 0.00011 -0.96153 D25 -2.96130 0.00000 0.00000 0.00010 0.00010 -2.96120 D26 3.00529 0.00000 0.00000 0.00005 0.00005 3.00534 D27 0.83032 0.00000 0.00000 0.00007 0.00007 0.83039 D28 -1.16935 0.00000 0.00000 0.00007 0.00007 -1.16928 D29 1.15237 0.00000 0.00000 -0.00002 -0.00002 1.15234 D30 -1.73966 0.00000 0.00000 -0.00004 -0.00004 -1.73970 D31 2.98722 0.00000 0.00000 0.00002 0.00002 2.98724 D32 0.09520 0.00000 0.00000 0.00000 0.00000 0.09520 D33 -0.58098 0.00000 0.00000 0.00002 0.00002 -0.58096 D34 2.81018 0.00000 0.00000 0.00000 0.00000 2.81018 D35 -0.99646 0.00000 0.00000 -0.00005 -0.00005 -0.99651 D36 3.03993 0.00000 0.00000 -0.00006 -0.00006 3.03987 D37 1.00151 0.00000 0.00000 -0.00006 -0.00006 1.00145 D38 -3.11061 0.00000 0.00000 -0.00005 -0.00005 -3.11066 D39 0.92578 0.00000 0.00000 -0.00006 -0.00006 0.92572 D40 -1.11264 0.00000 0.00000 -0.00006 -0.00006 -1.11270 D41 1.12712 0.00000 0.00000 -0.00006 -0.00006 1.12706 D42 -1.11968 0.00000 0.00000 -0.00007 -0.00007 -1.11975 D43 3.12509 0.00000 0.00000 -0.00007 -0.00007 3.12502 D44 2.72539 0.00000 0.00000 0.00003 0.00003 2.72543 D45 -1.55812 0.00000 0.00000 0.00003 0.00003 -1.55809 D46 0.55045 0.00000 0.00000 0.00002 0.00002 0.55048 D47 0.96142 0.00000 0.00000 0.00011 0.00011 0.96153 D48 2.96109 0.00000 0.00000 0.00011 0.00011 2.96120 D49 -1.21352 0.00000 0.00000 0.00010 0.00010 -1.21342 D50 -0.83042 0.00000 0.00000 0.00003 0.00003 -0.83039 D51 1.16925 0.00000 0.00000 0.00003 0.00003 1.16928 D52 -3.00536 0.00000 0.00000 0.00002 0.00002 -3.00534 D53 -0.00005 0.00000 0.00000 0.00005 0.00005 0.00000 D54 1.77280 0.00000 0.00000 0.00005 0.00005 1.77285 D55 -1.91802 0.00000 0.00000 0.00007 0.00007 -1.91794 D56 -1.77280 0.00000 0.00000 -0.00005 -0.00005 -1.77285 D57 0.00005 0.00000 0.00000 -0.00005 -0.00005 0.00000 D58 2.59243 0.00000 0.00000 -0.00003 -0.00003 2.59239 D59 1.91791 0.00000 0.00000 0.00003 0.00003 1.91794 D60 -2.59243 0.00000 0.00000 0.00003 0.00003 -2.59240 D61 -0.00005 0.00000 0.00000 0.00005 0.00005 0.00000 D62 -0.64757 0.00000 0.00000 0.00000 0.00000 -0.64757 D63 1.28031 0.00000 0.00000 0.00010 0.00010 1.28041 D64 -2.44535 0.00000 0.00000 0.00002 0.00002 -2.44533 D65 2.16086 0.00000 0.00000 -0.00020 -0.00020 2.16065 D66 0.18742 0.00000 0.00000 -0.00025 -0.00025 0.18717 D67 -2.47158 0.00000 0.00000 -0.00016 -0.00016 -2.47174 D68 0.64761 0.00000 0.00000 -0.00004 -0.00004 0.64757 D69 -1.28041 0.00000 0.00000 0.00000 0.00000 -1.28041 D70 2.44535 0.00000 0.00000 -0.00002 -0.00002 2.44533 D71 -2.16086 0.00000 0.00000 0.00021 0.00021 -2.16065 D72 -0.18732 0.00000 0.00000 0.00015 0.00015 -0.18717 D73 2.47156 0.00000 0.00000 0.00018 0.00018 2.47174 D74 -0.61970 0.00000 0.00000 -0.00010 -0.00010 -0.61980 D75 -2.64947 0.00000 0.00000 -0.00009 -0.00009 -2.64956 D76 1.57380 0.00000 0.00000 -0.00009 -0.00009 1.57371 D77 0.00004 0.00000 0.00000 -0.00004 -0.00004 0.00000 D78 2.16737 0.00000 0.00000 -0.00006 -0.00006 2.16732 D79 -2.09726 0.00000 0.00000 -0.00006 -0.00006 -2.09732 D80 -2.16727 0.00000 0.00000 -0.00005 -0.00005 -2.16732 D81 0.00007 0.00000 0.00000 -0.00007 -0.00007 0.00000 D82 2.01862 0.00000 0.00000 -0.00007 -0.00007 2.01855 D83 2.09737 0.00000 0.00000 -0.00005 -0.00005 2.09732 D84 -2.01848 0.00000 0.00000 -0.00007 -0.00007 -2.01855 D85 0.00007 0.00000 0.00000 -0.00007 -0.00007 0.00000 D86 -0.34155 0.00000 0.00000 0.00006 0.00006 -0.34149 D87 0.61989 0.00000 0.00000 -0.00010 -0.00010 0.61980 D88 -1.57363 0.00000 0.00000 -0.00008 -0.00008 -1.57371 D89 2.64964 0.00000 0.00000 -0.00008 -0.00008 2.64956 D90 0.34150 0.00000 0.00000 -0.00001 -0.00001 0.34149 D91 -0.30179 0.00000 0.00000 0.00035 0.00035 -0.30144 D92 -2.37636 0.00000 0.00000 0.00032 0.00032 -2.37604 D93 1.78289 0.00000 0.00000 0.00035 0.00035 1.78325 D94 0.30175 0.00000 0.00000 -0.00031 -0.00031 0.30144 D95 2.37636 0.00000 0.00000 -0.00033 -0.00033 2.37604 D96 -1.78291 0.00000 0.00000 -0.00034 -0.00034 -1.78325 Item Value Threshold Converged? Maximum Force 0.000015 0.000450 YES RMS Force 0.000002 0.000300 YES Maximum Displacement 0.000854 0.001800 YES RMS Displacement 0.000134 0.001200 YES Predicted change in Energy=-3.963066D-09 Optimization completed. -- Stationary point found. ---------------------------- ! Optimized Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.3828 -DE/DX = 0.0 ! ! R2 R(1,4) 1.4114 -DE/DX = 0.0 ! ! R3 R(1,5) 1.0871 -DE/DX = 0.0 ! ! R4 R(2,7) 2.3012 -DE/DX = 0.0 ! ! R5 R(2,10) 1.0889 -DE/DX = 0.0 ! ! R6 R(2,14) 1.5146 -DE/DX = 0.0 ! ! R7 R(3,4) 1.3828 -DE/DX = 0.0 ! ! R8 R(3,8) 2.3009 -DE/DX = 0.0 ! ! R9 R(3,9) 1.0889 -DE/DX = 0.0 ! ! R10 R(3,11) 1.5146 -DE/DX = 0.0 ! ! R11 R(4,6) 1.0871 -DE/DX = 0.0 ! ! R12 R(7,8) 1.3834 -DE/DX = 0.0 ! ! R13 R(7,18) 1.0814 -DE/DX = 0.0 ! ! R14 R(7,19) 1.3929 -DE/DX = 0.0 ! ! R15 R(8,17) 1.0814 -DE/DX = 0.0 ! ! R16 R(8,20) 1.3929 -DE/DX = 0.0 ! ! R17 R(11,12) 1.0983 -DE/DX = 0.0 ! ! R18 R(11,13) 1.0987 -DE/DX = 0.0 ! ! R19 R(11,14) 1.5577 -DE/DX = 0.0 ! ! R20 R(12,17) 2.3398 -DE/DX = 0.0 ! ! R21 R(14,15) 1.0983 -DE/DX = 0.0 ! ! R22 R(14,16) 1.0987 -DE/DX = 0.0 ! ! R23 R(15,18) 2.3402 -DE/DX = 0.0 ! ! R24 R(19,21) 1.4205 -DE/DX = 0.0 ! ! R25 R(20,21) 1.4205 -DE/DX = 0.0 ! ! R26 R(21,22) 1.0936 -DE/DX = 0.0 ! ! R27 R(21,23) 1.1045 -DE/DX = 0.0 ! ! A1 A(2,1,4) 118.5415 -DE/DX = 0.0 ! ! A2 A(2,1,5) 120.1311 -DE/DX = 0.0 ! ! A3 A(4,1,5) 119.7618 -DE/DX = 0.0 ! ! A4 A(1,2,7) 97.3136 -DE/DX = 0.0 ! ! A5 A(1,2,10) 119.001 -DE/DX = 0.0 ! ! A6 A(1,2,14) 120.6688 -DE/DX = 0.0 ! ! A7 A(7,2,10) 99.4828 -DE/DX = 0.0 ! ! A8 A(7,2,14) 94.1894 -DE/DX = 0.0 ! ! A9 A(10,2,14) 115.9489 -DE/DX = 0.0 ! ! A10 A(4,3,8) 97.3201 -DE/DX = 0.0 ! ! A11 A(4,3,9) 119.0007 -DE/DX = 0.0 ! ! A12 A(4,3,11) 120.6689 -DE/DX = 0.0 ! ! A13 A(8,3,9) 99.4764 -DE/DX = 0.0 ! ! A14 A(8,3,11) 94.1906 -DE/DX = 0.0 ! ! A15 A(9,3,11) 115.9485 -DE/DX = 0.0 ! ! A16 A(1,4,3) 118.541 -DE/DX = 0.0 ! ! A17 A(1,4,6) 119.762 -DE/DX = 0.0 ! ! A18 A(3,4,6) 120.1309 -DE/DX = 0.0 ! ! A19 A(2,7,8) 107.0474 -DE/DX = 0.0 ! ! A20 A(2,7,18) 88.5786 -DE/DX = 0.0 ! ! A21 A(2,7,19) 102.2661 -DE/DX = 0.0 ! ! A22 A(8,7,18) 127.2503 -DE/DX = 0.0 ! ! A23 A(8,7,19) 108.95 -DE/DX = 0.0 ! ! A24 A(18,7,19) 116.4624 -DE/DX = 0.0 ! ! A25 A(3,8,7) 107.0533 -DE/DX = 0.0 ! ! A26 A(3,8,17) 88.5806 -DE/DX = 0.0 ! ! A27 A(3,8,20) 102.2634 -DE/DX = 0.0 ! ! A28 A(7,8,17) 127.2467 -DE/DX = 0.0 ! ! A29 A(7,8,20) 108.9509 -DE/DX = 0.0 ! ! A30 A(17,8,20) 116.462 -DE/DX = 0.0 ! ! A31 A(3,11,12) 110.1645 -DE/DX = 0.0 ! ! A32 A(3,11,13) 108.0587 -DE/DX = 0.0 ! ! A33 A(3,11,14) 112.8253 -DE/DX = 0.0 ! ! A34 A(12,11,13) 105.3236 -DE/DX = 0.0 ! ! A35 A(12,11,14) 110.9627 -DE/DX = 0.0 ! ! A36 A(13,11,14) 109.1843 -DE/DX = 0.0 ! ! A37 A(11,12,17) 101.5952 -DE/DX = 0.0 ! ! A38 A(2,14,11) 112.8256 -DE/DX = 0.0 ! ! A39 A(2,14,15) 110.1653 -DE/DX = 0.0 ! ! A40 A(2,14,16) 108.0573 -DE/DX = 0.0 ! ! A41 A(11,14,15) 110.9632 -DE/DX = 0.0 ! ! A42 A(11,14,16) 109.1837 -DE/DX = 0.0 ! ! A43 A(15,14,16) 105.3238 -DE/DX = 0.0 ! ! A44 A(14,15,18) 101.5892 -DE/DX = 0.0 ! ! A45 A(8,17,12) 104.0188 -DE/DX = 0.0 ! ! A46 A(7,18,15) 104.0161 -DE/DX = 0.0 ! ! A47 A(7,19,21) 105.8367 -DE/DX = 0.0 ! ! A48 A(8,20,21) 105.8342 -DE/DX = 0.0 ! ! A49 A(19,21,20) 107.2908 -DE/DX = 0.0 ! ! A50 A(19,21,22) 109.5635 -DE/DX = 0.0 ! ! A51 A(19,21,23) 109.8894 -DE/DX = 0.0 ! ! A52 A(20,21,22) 109.5597 -DE/DX = 0.0 ! ! A53 A(20,21,23) 109.8912 -DE/DX = 0.0 ! ! A54 A(22,21,23) 110.5842 -DE/DX = 0.0 ! ! D1 D(4,1,2,7) -66.0226 -DE/DX = 0.0 ! ! D2 D(4,1,2,10) -171.1557 -DE/DX = 0.0 ! ! D3 D(4,1,2,14) 33.2854 -DE/DX = 0.0 ! ! D4 D(5,1,2,7) 99.6799 -DE/DX = 0.0 ! ! D5 D(5,1,2,10) -5.4532 -DE/DX = 0.0 ! ! D6 D(5,1,2,14) -161.0122 -DE/DX = 0.0 ! ! D7 D(2,1,4,3) 0.0022 -DE/DX = 0.0 ! ! D8 D(2,1,4,6) 165.757 -DE/DX = 0.0 ! ! D9 D(5,1,4,3) -165.7544 -DE/DX = 0.0 ! ! D10 D(5,1,4,6) 0.0004 -DE/DX = 0.0 ! ! D11 D(1,2,7,8) 57.098 -DE/DX = 0.0 ! ! D12 D(1,2,7,18) -174.1682 -DE/DX = 0.0 ! ! D13 D(1,2,7,19) -57.3753 -DE/DX = 0.0 ! ! D14 D(10,2,7,8) 178.23 -DE/DX = 0.0 ! ! D15 D(10,2,7,18) -53.0362 -DE/DX = 0.0 ! ! D16 D(10,2,7,19) 63.7567 -DE/DX = 0.0 ! ! D17 D(14,2,7,8) -64.5727 -DE/DX = 0.0 ! ! D18 D(14,2,7,18) 64.161 -DE/DX = 0.0 ! ! D19 D(14,2,7,19) -179.0461 -DE/DX = 0.0 ! ! D20 D(1,2,14,11) -31.541 -DE/DX = 0.0 ! ! D21 D(1,2,14,15) -156.1575 -DE/DX = 0.0 ! ! D22 D(1,2,14,16) 89.2699 -DE/DX = 0.0 ! ! D23 D(7,2,14,11) 69.519 -DE/DX = 0.0 ! ! D24 D(7,2,14,15) -55.0975 -DE/DX = 0.0 ! ! D25 D(7,2,14,16) -169.6701 -DE/DX = 0.0 ! ! D26 D(10,2,14,11) 172.1904 -DE/DX = 0.0 ! ! D27 D(10,2,14,15) 47.5739 -DE/DX = 0.0 ! ! D28 D(10,2,14,16) -66.9986 -DE/DX = 0.0 ! ! D29 D(8,3,4,1) 66.0258 -DE/DX = 0.0 ! ! D30 D(8,3,4,6) -99.6749 -DE/DX = 0.0 ! ! D31 D(9,3,4,1) 171.1552 -DE/DX = 0.0 ! ! D32 D(9,3,4,6) 5.4545 -DE/DX = 0.0 ! ! D33 D(11,3,4,1) -33.2876 -DE/DX = 0.0 ! ! D34 D(11,3,4,6) 161.0116 -DE/DX = 0.0 ! ! D35 D(4,3,8,7) -57.093 -DE/DX = 0.0 ! ! D36 D(4,3,8,17) 174.1751 -DE/DX = 0.0 ! ! D37 D(4,3,8,20) 57.3824 -DE/DX = 0.0 ! ! D38 D(9,3,8,7) -178.2248 -DE/DX = 0.0 ! ! D39 D(9,3,8,17) 53.0433 -DE/DX = 0.0 ! ! D40 D(9,3,8,20) -63.7494 -DE/DX = 0.0 ! ! D41 D(11,3,8,7) 64.5791 -DE/DX = 0.0 ! ! D42 D(11,3,8,17) -64.1527 -DE/DX = 0.0 ! ! D43 D(11,3,8,20) 179.0545 -DE/DX = 0.0 ! ! D44 D(4,3,11,12) 156.1536 -DE/DX = 0.0 ! ! D45 D(4,3,11,13) -89.2737 -DE/DX = 0.0 ! ! D46 D(4,3,11,14) 31.5387 -DE/DX = 0.0 ! ! D47 D(8,3,11,12) 55.0852 -DE/DX = 0.0 ! ! D48 D(8,3,11,13) 169.6579 -DE/DX = 0.0 ! ! D49 D(8,3,11,14) -69.5297 -DE/DX = 0.0 ! ! D50 D(9,3,11,12) -47.5795 -DE/DX = 0.0 ! ! D51 D(9,3,11,13) 66.9932 -DE/DX = 0.0 ! ! D52 D(9,3,11,14) -172.1944 -DE/DX = 0.0 ! ! D53 D(2,7,8,3) -0.0029 -DE/DX = 0.0 ! ! D54 D(2,7,8,17) 101.5738 -DE/DX = 0.0 ! ! D55 D(2,7,8,20) -109.8942 -DE/DX = 0.0 ! ! D56 D(18,7,8,3) -101.5737 -DE/DX = 0.0 ! ! D57 D(18,7,8,17) 0.003 -DE/DX = 0.0 ! ! D58 D(18,7,8,20) 148.535 -DE/DX = 0.0 ! ! D59 D(19,7,8,3) 109.8882 -DE/DX = 0.0 ! ! D60 D(19,7,8,17) -148.5351 -DE/DX = 0.0 ! ! D61 D(19,7,8,20) -0.003 -DE/DX = 0.0 ! ! D62 D(2,7,18,15) -37.103 -DE/DX = 0.0 ! ! D63 D(8,7,18,15) 73.3561 -DE/DX = 0.0 ! ! D64 D(19,7,18,15) -140.1082 -DE/DX = 0.0 ! ! D65 D(2,7,19,21) 123.808 -DE/DX = 0.0 ! ! D66 D(8,7,19,21) 10.7382 -DE/DX = 0.0 ! ! D67 D(18,7,19,21) -141.6111 -DE/DX = 0.0 ! ! D68 D(3,8,17,12) 37.1052 -DE/DX = 0.0 ! ! D69 D(7,8,17,12) -73.3622 -DE/DX = 0.0 ! ! D70 D(20,8,17,12) 140.1083 -DE/DX = 0.0 ! ! D71 D(3,8,20,21) -123.8084 -DE/DX = 0.0 ! ! D72 D(7,8,20,21) -10.7328 -DE/DX = 0.0 ! ! D73 D(17,8,20,21) 141.61 -DE/DX = 0.0 ! ! D74 D(3,11,12,17) -35.5062 -DE/DX = 0.0 ! ! D75 D(13,11,12,17) -151.8035 -DE/DX = 0.0 ! ! D76 D(14,11,12,17) 90.172 -DE/DX = 0.0 ! ! D77 D(3,11,14,2) 0.002 -DE/DX = 0.0 ! ! D78 D(3,11,14,15) 124.1813 -DE/DX = 0.0 ! ! D79 D(3,11,14,16) -120.1643 -DE/DX = 0.0 ! ! D80 D(12,11,14,2) -124.1755 -DE/DX = 0.0 ! ! D81 D(12,11,14,15) 0.0038 -DE/DX = 0.0 ! ! D82 D(12,11,14,16) 115.6582 -DE/DX = 0.0 ! ! D83 D(13,11,14,2) 120.1702 -DE/DX = 0.0 ! ! D84 D(13,11,14,15) -115.6505 -DE/DX = 0.0 ! ! D85 D(13,11,14,16) 0.0039 -DE/DX = 0.0 ! ! D86 D(11,12,17,8) -19.5694 -DE/DX = 0.0 ! ! D87 D(2,14,15,18) 35.5171 -DE/DX = 0.0 ! ! D88 D(11,14,15,18) -90.1625 -DE/DX = 0.0 ! ! D89 D(16,14,15,18) 151.8133 -DE/DX = 0.0 ! ! D90 D(14,15,18,7) 19.5665 -DE/DX = 0.0 ! ! D91 D(7,19,21,20) -17.291 -DE/DX = 0.0 ! ! D92 D(7,19,21,22) -136.1554 -DE/DX = 0.0 ! ! D93 D(7,19,21,23) 102.1522 -DE/DX = 0.0 ! ! D94 D(8,20,21,19) 17.2889 -DE/DX = 0.0 ! ! D95 D(8,20,21,22) 136.1557 -DE/DX = 0.0 ! ! D96 D(8,20,21,23) -102.1532 -DE/DX = 0.0 ! -------------------------------------------------------------------------------- GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -3.466304 0.386997 -0.090768 2 6 0 -3.177081 -0.273520 -1.270643 3 6 0 -3.177398 2.459269 -1.270359 4 6 0 -3.466446 1.798436 -0.090610 5 1 0 -3.909496 -0.152761 0.742286 6 1 0 -3.909739 2.337922 0.742566 7 6 0 -5.035955 0.401279 -2.447393 8 6 0 -5.035942 1.784675 -2.447207 9 1 0 -3.316369 3.538203 -1.318831 10 1 0 -3.315826 -1.352472 -1.319357 11 6 0 -2.197493 1.871923 -2.264803 12 1 0 -2.397546 2.264922 -3.270705 13 1 0 -1.192475 2.233077 -2.006542 14 6 0 -2.197295 0.314260 -2.264942 15 1 0 -2.397181 -0.078620 -3.270924 16 1 0 -1.192198 -0.046674 -2.006675 17 1 0 -4.730755 2.439298 -3.252046 18 1 0 -4.730754 -0.253187 -3.252351 19 8 0 -6.077294 -0.051144 -1.640546 20 8 0 -6.077319 2.236925 -1.640291 21 6 0 -6.867707 1.092812 -1.350028 22 1 0 -7.136286 1.092723 -0.289956 23 1 0 -7.774675 1.092842 -1.980422 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.382765 0.000000 3 C 2.401919 2.732789 0.000000 4 C 1.411439 2.401918 1.382771 0.000000 5 H 1.087077 2.145436 3.377782 2.167298 0.000000 6 H 2.167300 3.377784 2.145441 1.087077 2.490683 7 C 2.831553 2.301197 3.012468 3.157504 3.427816 8 C 3.157542 3.012612 2.300920 2.831441 3.898128 9 H 3.385368 3.814571 1.088927 2.134910 4.268866 10 H 2.134907 1.088926 3.814568 3.385370 2.458073 11 C 2.922553 2.559467 1.514631 2.518483 4.009100 12 H 3.844586 3.324396 2.155765 3.387205 4.922934 13 H 3.499786 3.280737 2.129095 3.005104 4.542079 14 C 2.518473 1.514627 2.559465 2.922540 3.491871 15 H 3.387214 2.155772 3.324437 3.844615 4.289341 16 H 3.005050 2.129076 3.280691 3.499706 3.866749 17 H 3.975482 3.701249 2.518015 3.464659 4.831969 18 H 3.464719 2.518230 3.701165 3.975454 4.079421 19 O 3.067743 2.932152 3.853389 3.555246 3.222974 20 O 3.555370 3.853616 2.931864 3.067644 4.010826 21 C 3.695058 3.936227 3.935979 3.694945 3.831480 22 H 3.742525 4.301589 4.301329 3.742392 3.609561 23 H 4.757212 4.848567 4.848326 4.757109 4.889200 6 7 8 9 10 6 H 0.000000 7 C 3.898049 0.000000 8 C 3.427691 1.383396 0.000000 9 H 2.458072 3.751123 2.702781 0.000000 10 H 4.268872 2.703137 3.751338 4.890675 0.000000 11 C 3.491878 3.202031 2.845642 2.218837 3.541364 12 H 4.289336 3.333498 2.805338 2.505053 4.211477 13 H 3.866796 4.280441 3.894546 2.585967 4.223388 14 C 4.009087 2.845848 3.202071 3.541364 2.218837 15 H 4.922967 2.805643 3.333682 4.211530 2.505039 16 H 4.541988 3.894787 4.280453 4.223337 2.585983 17 H 4.079371 2.212269 1.081405 2.635413 4.484956 18 H 4.831902 1.081402 2.212302 4.484821 2.635700 19 O 4.010630 1.392866 2.259502 4.539782 3.069580 20 O 3.222827 2.259524 1.392878 3.069121 4.540112 21 C 3.831295 2.244492 2.244513 4.311950 4.312333 22 H 3.609325 3.089340 3.089332 4.650884 4.651297 23 H 4.889030 2.863024 2.863072 5.127766 5.128148 11 12 13 14 15 11 C 0.000000 12 H 1.098321 0.000000 13 H 1.098723 1.746802 0.000000 14 C 1.557663 2.203802 2.181351 0.000000 15 H 2.203809 2.343542 2.897227 1.098321 0.000000 16 H 2.181344 2.897259 2.279751 1.098724 1.746806 17 H 2.777405 2.339790 3.756758 3.450881 3.433050 18 H 3.450906 3.432939 4.500330 2.777659 2.340167 19 O 4.375013 4.643504 5.404912 3.946870 4.025186 20 O 3.946681 4.024893 4.898556 4.375090 4.643719 21 C 4.822315 5.004516 5.825759 4.822443 5.004767 22 H 5.375765 5.719665 6.290943 5.375891 5.719907 23 H 5.638510 5.652620 6.680283 5.638644 5.652890 16 17 18 19 20 16 H 0.000000 17 H 4.500266 0.000000 18 H 3.757091 2.692485 0.000000 19 O 4.898799 3.257668 2.109954 0.000000 20 O 5.404949 2.109963 3.257704 2.288069 0.000000 21 C 5.825892 3.161845 3.161821 1.420489 1.420549 22 H 6.291068 4.046458 4.046460 2.062520 2.062526 23 H 6.680433 3.563063 3.563012 2.074927 2.075002 21 22 23 21 C 0.000000 22 H 1.093566 0.000000 23 H 1.104530 1.806991 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 0.813817 -0.705909 1.466673 2 6 0 1.103040 -1.366426 0.286798 3 6 0 1.102723 1.366363 0.287082 4 6 0 0.813675 0.705530 1.466831 5 1 0 0.370625 -1.245667 2.299727 6 1 0 0.370382 1.245016 2.300007 7 6 0 -0.755834 -0.691627 -0.889952 8 6 0 -0.755821 0.691769 -0.889766 9 1 0 0.963752 2.445297 0.238610 10 1 0 0.964295 -2.445378 0.238084 11 6 0 2.082628 0.779017 -0.707362 12 1 0 1.882575 1.172016 -1.713264 13 1 0 3.087646 1.140171 -0.449101 14 6 0 2.082826 -0.778646 -0.707501 15 1 0 1.882940 -1.171526 -1.713483 16 1 0 3.087923 -1.139580 -0.449234 17 1 0 -0.450634 1.346392 -1.694605 18 1 0 -0.450633 -1.346093 -1.694910 19 8 0 -1.797173 -1.144050 -0.083105 20 8 0 -1.797198 1.144019 -0.082850 21 6 0 -2.587586 -0.000094 0.207413 22 1 0 -2.856165 -0.000183 1.267485 23 1 0 -3.494554 -0.000064 -0.422981 --------------------------------------------------------------------- Rotational constants (GHZ): 1.9534411 0.9990354 0.9274128 1\1\GINC-CX1-102-18-4\FTS\RB3LYP\6-31G(d)\C9H12O2\SCAN-USER-1\02-Nov-2 017\0\\# opt=(calcfc,ts,noeigen) freq b3lyp/6-31g(d) geom=connectivity integral=grid=ultrafine pop=full gfprint\\Title Card Required\\0,1\C, -3.46630398,0.3869969,-0.09076836\C,-3.17708098,-0.2735201,-1.27064336 \C,-3.17739798,2.4592689,-1.27035936\C,-3.46644598,1.7984359,-0.090610 36\H,-3.90949598,-0.1527611,0.74228564\H,-3.90973898,2.3379219,0.74256 564\C,-5.03595498,0.4012789,-2.44739336\C,-5.03594198,1.7846749,-2.447 20736\H,-3.31636898,3.5382029,-1.31883136\H,-3.31582598,-1.3524721,-1. 31935736\C,-2.19749298,1.8719229,-2.26480336\H,-2.39754598,2.2649219,- 3.27070536\H,-1.19247498,2.2330769,-2.00654236\C,-2.19729498,0.3142599 ,-2.26494236\H,-2.39718098,-0.0786201,-3.27092436\H,-1.19219798,-0.046 6741,-2.00667536\H,-4.73075498,2.4392979,-3.25204636\H,-4.73075398,-0. 2531871,-3.25235136\O,-6.07729398,-0.0511441,-1.64054636\O,-6.07731898 ,2.2369249,-1.64029136\C,-6.86770698,1.0928119,-1.35002836\H,-7.136285 98,1.0927229,-0.28995636\H,-7.77467498,1.0928419,-1.98042236\\Version= ES64L-G09RevD.01\State=1-A\HF=-500.4905865\RMSD=4.107e-09\RMSF=4.330e- 06\Dipole=0.0502512,-0.0000142,-0.426569\Polar=0.,0.,0.,0.,0.,0.\Quadr upole=0.330407,-1.7112831,1.3808761,0.000395,-2.0992174,-0.000338\PG=C 01 [X(C9H12O2)]\\@ THE WORLD OF CHEMICAL REACTIONS IS LIKE A STAGE, ON WHICH SCENE AFTER SCENE IS CEASELESSLY PLAYED. THE ACTORS ON IT ARE THE ELEMENTS. -- CLEMENS WINKLER BER. 30,13(1897) (DISCOVERER OF GERMANIUM, FEB 6, 1886) Job cpu time: 0 days 0 hours 33 minutes 33.2 seconds. File lengths (MBytes): RWF= 102 Int= 0 D2E= 0 Chk= 5 Scr= 2 Normal termination of Gaussian 09 at Thu Nov 2 15:46:15 2017. Link1: Proceeding to internal job step number 2. -------------------------------------------------------------------- #N Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-31G(d) Freq -------------------------------------------------------------------- 1/5=1,10=4,11=1,29=7,30=1,38=1,40=1/1,3; 2/12=2,40=1/2; 3/5=1,6=6,7=1,11=2,14=-4,16=1,24=100,25=1,30=1,70=2,71=2,74=-5,75=-5,116=1,140=1/1,2,3; 4/5=101/1; 5/5=2,98=1/2; 8/6=4,10=90,11=11/1; 11/6=1,8=1,9=11,15=111,16=1/1,2,10; 10/6=1/2; 6/7=3,18=1,28=1/1; 7/8=1,10=1,25=1/1,2,3,16; 1/5=1,10=4,11=1,30=1/3; 99//99; Structure from the checkpoint file: "chk.chk" ------------------- Title Card Required ------------------- Charge = 0 Multiplicity = 1 Redundant internal coordinates found in file. C,0,-3.46630398,0.3869969,-0.09076836 C,0,-3.17708098,-0.2735201,-1.27064336 C,0,-3.17739798,2.4592689,-1.27035936 C,0,-3.46644598,1.7984359,-0.09061036 H,0,-3.90949598,-0.1527611,0.74228564 H,0,-3.90973898,2.3379219,0.74256564 C,0,-5.03595498,0.4012789,-2.44739336 C,0,-5.03594198,1.7846749,-2.44720736 H,0,-3.31636898,3.5382029,-1.31883136 H,0,-3.31582598,-1.3524721,-1.31935736 C,0,-2.19749298,1.8719229,-2.26480336 H,0,-2.39754598,2.2649219,-3.27070536 H,0,-1.19247498,2.2330769,-2.00654236 C,0,-2.19729498,0.3142599,-2.26494236 H,0,-2.39718098,-0.0786201,-3.27092436 H,0,-1.19219798,-0.0466741,-2.00667536 H,0,-4.73075498,2.4392979,-3.25204636 H,0,-4.73075398,-0.2531871,-3.25235136 O,0,-6.07729398,-0.0511441,-1.64054636 O,0,-6.07731898,2.2369249,-1.64029136 C,0,-6.86770698,1.0928119,-1.35002836 H,0,-7.13628598,1.0927229,-0.28995636 H,0,-7.77467498,1.0928419,-1.98042236 Recover connectivity data from disk. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Initialization pass. ---------------------------- ! Initial Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.3828 calculate D2E/DX2 analytically ! ! R2 R(1,4) 1.4114 calculate D2E/DX2 analytically ! ! R3 R(1,5) 1.0871 calculate D2E/DX2 analytically ! ! R4 R(2,7) 2.3012 calculate D2E/DX2 analytically ! ! R5 R(2,10) 1.0889 calculate D2E/DX2 analytically ! ! R6 R(2,14) 1.5146 calculate D2E/DX2 analytically ! ! R7 R(3,4) 1.3828 calculate D2E/DX2 analytically ! ! R8 R(3,8) 2.3009 calculate D2E/DX2 analytically ! ! R9 R(3,9) 1.0889 calculate D2E/DX2 analytically ! ! R10 R(3,11) 1.5146 calculate D2E/DX2 analytically ! ! R11 R(4,6) 1.0871 calculate D2E/DX2 analytically ! ! R12 R(7,8) 1.3834 calculate D2E/DX2 analytically ! ! R13 R(7,18) 1.0814 calculate D2E/DX2 analytically ! ! R14 R(7,19) 1.3929 calculate D2E/DX2 analytically ! ! R15 R(8,17) 1.0814 calculate D2E/DX2 analytically ! ! R16 R(8,20) 1.3929 calculate D2E/DX2 analytically ! ! R17 R(11,12) 1.0983 calculate D2E/DX2 analytically ! ! R18 R(11,13) 1.0987 calculate D2E/DX2 analytically ! ! R19 R(11,14) 1.5577 calculate D2E/DX2 analytically ! ! R20 R(12,17) 2.3398 calculate D2E/DX2 analytically ! ! R21 R(14,15) 1.0983 calculate D2E/DX2 analytically ! ! R22 R(14,16) 1.0987 calculate D2E/DX2 analytically ! ! R23 R(15,18) 2.3402 calculate D2E/DX2 analytically ! ! R24 R(19,21) 1.4205 calculate D2E/DX2 analytically ! ! R25 R(20,21) 1.4205 calculate D2E/DX2 analytically ! ! R26 R(21,22) 1.0936 calculate D2E/DX2 analytically ! ! R27 R(21,23) 1.1045 calculate D2E/DX2 analytically ! ! A1 A(2,1,4) 118.5415 calculate D2E/DX2 analytically ! ! A2 A(2,1,5) 120.1311 calculate D2E/DX2 analytically ! ! A3 A(4,1,5) 119.7618 calculate D2E/DX2 analytically ! ! A4 A(1,2,7) 97.3136 calculate D2E/DX2 analytically ! ! A5 A(1,2,10) 119.001 calculate D2E/DX2 analytically ! ! A6 A(1,2,14) 120.6688 calculate D2E/DX2 analytically ! ! A7 A(7,2,10) 99.4828 calculate D2E/DX2 analytically ! ! A8 A(7,2,14) 94.1894 calculate D2E/DX2 analytically ! ! A9 A(10,2,14) 115.9489 calculate D2E/DX2 analytically ! ! A10 A(4,3,8) 97.3201 calculate D2E/DX2 analytically ! ! A11 A(4,3,9) 119.0007 calculate D2E/DX2 analytically ! ! A12 A(4,3,11) 120.6689 calculate D2E/DX2 analytically ! ! A13 A(8,3,9) 99.4764 calculate D2E/DX2 analytically ! ! A14 A(8,3,11) 94.1906 calculate D2E/DX2 analytically ! ! A15 A(9,3,11) 115.9485 calculate D2E/DX2 analytically ! ! A16 A(1,4,3) 118.541 calculate D2E/DX2 analytically ! ! A17 A(1,4,6) 119.762 calculate D2E/DX2 analytically ! ! A18 A(3,4,6) 120.1309 calculate D2E/DX2 analytically ! ! A19 A(2,7,8) 107.0474 calculate D2E/DX2 analytically ! ! A20 A(2,7,18) 88.5786 calculate D2E/DX2 analytically ! ! A21 A(2,7,19) 102.2661 calculate D2E/DX2 analytically ! ! A22 A(8,7,18) 127.2503 calculate D2E/DX2 analytically ! ! A23 A(8,7,19) 108.95 calculate D2E/DX2 analytically ! ! A24 A(18,7,19) 116.4624 calculate D2E/DX2 analytically ! ! A25 A(3,8,7) 107.0533 calculate D2E/DX2 analytically ! ! A26 A(3,8,17) 88.5806 calculate D2E/DX2 analytically ! ! A27 A(3,8,20) 102.2634 calculate D2E/DX2 analytically ! ! A28 A(7,8,17) 127.2467 calculate D2E/DX2 analytically ! ! A29 A(7,8,20) 108.9509 calculate D2E/DX2 analytically ! ! A30 A(17,8,20) 116.462 calculate D2E/DX2 analytically ! ! A31 A(3,11,12) 110.1645 calculate D2E/DX2 analytically ! ! A32 A(3,11,13) 108.0587 calculate D2E/DX2 analytically ! ! A33 A(3,11,14) 112.8253 calculate D2E/DX2 analytically ! ! A34 A(12,11,13) 105.3236 calculate D2E/DX2 analytically ! ! A35 A(12,11,14) 110.9627 calculate D2E/DX2 analytically ! ! A36 A(13,11,14) 109.1843 calculate D2E/DX2 analytically ! ! A37 A(11,12,17) 101.5952 calculate D2E/DX2 analytically ! ! A38 A(2,14,11) 112.8256 calculate D2E/DX2 analytically ! ! A39 A(2,14,15) 110.1653 calculate D2E/DX2 analytically ! ! A40 A(2,14,16) 108.0573 calculate D2E/DX2 analytically ! ! A41 A(11,14,15) 110.9632 calculate D2E/DX2 analytically ! ! A42 A(11,14,16) 109.1837 calculate D2E/DX2 analytically ! ! A43 A(15,14,16) 105.3238 calculate D2E/DX2 analytically ! ! A44 A(14,15,18) 101.5892 calculate D2E/DX2 analytically ! ! A45 A(8,17,12) 104.0188 calculate D2E/DX2 analytically ! ! A46 A(7,18,15) 104.0161 calculate D2E/DX2 analytically ! ! A47 A(7,19,21) 105.8367 calculate D2E/DX2 analytically ! ! A48 A(8,20,21) 105.8342 calculate D2E/DX2 analytically ! ! A49 A(19,21,20) 107.2908 calculate D2E/DX2 analytically ! ! A50 A(19,21,22) 109.5635 calculate D2E/DX2 analytically ! ! A51 A(19,21,23) 109.8894 calculate D2E/DX2 analytically ! ! A52 A(20,21,22) 109.5597 calculate D2E/DX2 analytically ! ! A53 A(20,21,23) 109.8912 calculate D2E/DX2 analytically ! ! A54 A(22,21,23) 110.5842 calculate D2E/DX2 analytically ! ! D1 D(4,1,2,7) -66.0226 calculate D2E/DX2 analytically ! ! D2 D(4,1,2,10) -171.1557 calculate D2E/DX2 analytically ! ! D3 D(4,1,2,14) 33.2854 calculate D2E/DX2 analytically ! ! D4 D(5,1,2,7) 99.6799 calculate D2E/DX2 analytically ! ! D5 D(5,1,2,10) -5.4532 calculate D2E/DX2 analytically ! ! D6 D(5,1,2,14) -161.0122 calculate D2E/DX2 analytically ! ! D7 D(2,1,4,3) 0.0022 calculate D2E/DX2 analytically ! ! D8 D(2,1,4,6) 165.757 calculate D2E/DX2 analytically ! ! D9 D(5,1,4,3) -165.7544 calculate D2E/DX2 analytically ! ! D10 D(5,1,4,6) 0.0004 calculate D2E/DX2 analytically ! ! D11 D(1,2,7,8) 57.098 calculate D2E/DX2 analytically ! ! D12 D(1,2,7,18) -174.1682 calculate D2E/DX2 analytically ! ! D13 D(1,2,7,19) -57.3753 calculate D2E/DX2 analytically ! ! D14 D(10,2,7,8) 178.23 calculate D2E/DX2 analytically ! ! D15 D(10,2,7,18) -53.0362 calculate D2E/DX2 analytically ! ! D16 D(10,2,7,19) 63.7567 calculate D2E/DX2 analytically ! ! D17 D(14,2,7,8) -64.5727 calculate D2E/DX2 analytically ! ! D18 D(14,2,7,18) 64.161 calculate D2E/DX2 analytically ! ! D19 D(14,2,7,19) -179.0461 calculate D2E/DX2 analytically ! ! D20 D(1,2,14,11) -31.541 calculate D2E/DX2 analytically ! ! D21 D(1,2,14,15) -156.1575 calculate D2E/DX2 analytically ! ! D22 D(1,2,14,16) 89.2699 calculate D2E/DX2 analytically ! ! D23 D(7,2,14,11) 69.519 calculate D2E/DX2 analytically ! ! D24 D(7,2,14,15) -55.0975 calculate D2E/DX2 analytically ! ! D25 D(7,2,14,16) -169.6701 calculate D2E/DX2 analytically ! ! D26 D(10,2,14,11) 172.1904 calculate D2E/DX2 analytically ! ! D27 D(10,2,14,15) 47.5739 calculate D2E/DX2 analytically ! ! D28 D(10,2,14,16) -66.9986 calculate D2E/DX2 analytically ! ! D29 D(8,3,4,1) 66.0258 calculate D2E/DX2 analytically ! ! D30 D(8,3,4,6) -99.6749 calculate D2E/DX2 analytically ! ! D31 D(9,3,4,1) 171.1552 calculate D2E/DX2 analytically ! ! D32 D(9,3,4,6) 5.4545 calculate D2E/DX2 analytically ! ! D33 D(11,3,4,1) -33.2876 calculate D2E/DX2 analytically ! ! D34 D(11,3,4,6) 161.0116 calculate D2E/DX2 analytically ! ! D35 D(4,3,8,7) -57.093 calculate D2E/DX2 analytically ! ! D36 D(4,3,8,17) 174.1751 calculate D2E/DX2 analytically ! ! D37 D(4,3,8,20) 57.3824 calculate D2E/DX2 analytically ! ! D38 D(9,3,8,7) -178.2248 calculate D2E/DX2 analytically ! ! D39 D(9,3,8,17) 53.0433 calculate D2E/DX2 analytically ! ! D40 D(9,3,8,20) -63.7494 calculate D2E/DX2 analytically ! ! D41 D(11,3,8,7) 64.5791 calculate D2E/DX2 analytically ! ! D42 D(11,3,8,17) -64.1527 calculate D2E/DX2 analytically ! ! D43 D(11,3,8,20) 179.0545 calculate D2E/DX2 analytically ! ! D44 D(4,3,11,12) 156.1536 calculate D2E/DX2 analytically ! ! D45 D(4,3,11,13) -89.2737 calculate D2E/DX2 analytically ! ! D46 D(4,3,11,14) 31.5387 calculate D2E/DX2 analytically ! ! D47 D(8,3,11,12) 55.0852 calculate D2E/DX2 analytically ! ! D48 D(8,3,11,13) 169.6579 calculate D2E/DX2 analytically ! ! D49 D(8,3,11,14) -69.5297 calculate D2E/DX2 analytically ! ! D50 D(9,3,11,12) -47.5795 calculate D2E/DX2 analytically ! ! D51 D(9,3,11,13) 66.9932 calculate D2E/DX2 analytically ! ! D52 D(9,3,11,14) -172.1944 calculate D2E/DX2 analytically ! ! D53 D(2,7,8,3) -0.0029 calculate D2E/DX2 analytically ! ! D54 D(2,7,8,17) 101.5738 calculate D2E/DX2 analytically ! ! D55 D(2,7,8,20) -109.8942 calculate D2E/DX2 analytically ! ! D56 D(18,7,8,3) -101.5737 calculate D2E/DX2 analytically ! ! D57 D(18,7,8,17) 0.003 calculate D2E/DX2 analytically ! ! D58 D(18,7,8,20) 148.535 calculate D2E/DX2 analytically ! ! D59 D(19,7,8,3) 109.8882 calculate D2E/DX2 analytically ! ! D60 D(19,7,8,17) -148.5351 calculate D2E/DX2 analytically ! ! D61 D(19,7,8,20) -0.003 calculate D2E/DX2 analytically ! ! D62 D(2,7,18,15) -37.103 calculate D2E/DX2 analytically ! ! D63 D(8,7,18,15) 73.3561 calculate D2E/DX2 analytically ! ! D64 D(19,7,18,15) -140.1082 calculate D2E/DX2 analytically ! ! D65 D(2,7,19,21) 123.808 calculate D2E/DX2 analytically ! ! D66 D(8,7,19,21) 10.7382 calculate D2E/DX2 analytically ! ! D67 D(18,7,19,21) -141.6111 calculate D2E/DX2 analytically ! ! D68 D(3,8,17,12) 37.1052 calculate D2E/DX2 analytically ! ! D69 D(7,8,17,12) -73.3622 calculate D2E/DX2 analytically ! ! D70 D(20,8,17,12) 140.1083 calculate D2E/DX2 analytically ! ! D71 D(3,8,20,21) -123.8084 calculate D2E/DX2 analytically ! ! D72 D(7,8,20,21) -10.7328 calculate D2E/DX2 analytically ! ! D73 D(17,8,20,21) 141.61 calculate D2E/DX2 analytically ! ! D74 D(3,11,12,17) -35.5062 calculate D2E/DX2 analytically ! ! D75 D(13,11,12,17) -151.8035 calculate D2E/DX2 analytically ! ! D76 D(14,11,12,17) 90.172 calculate D2E/DX2 analytically ! ! D77 D(3,11,14,2) 0.002 calculate D2E/DX2 analytically ! ! D78 D(3,11,14,15) 124.1813 calculate D2E/DX2 analytically ! ! D79 D(3,11,14,16) -120.1643 calculate D2E/DX2 analytically ! ! D80 D(12,11,14,2) -124.1755 calculate D2E/DX2 analytically ! ! D81 D(12,11,14,15) 0.0038 calculate D2E/DX2 analytically ! ! D82 D(12,11,14,16) 115.6582 calculate D2E/DX2 analytically ! ! D83 D(13,11,14,2) 120.1702 calculate D2E/DX2 analytically ! ! D84 D(13,11,14,15) -115.6505 calculate D2E/DX2 analytically ! ! D85 D(13,11,14,16) 0.0039 calculate D2E/DX2 analytically ! ! D86 D(11,12,17,8) -19.5694 calculate D2E/DX2 analytically ! ! D87 D(2,14,15,18) 35.5171 calculate D2E/DX2 analytically ! ! D88 D(11,14,15,18) -90.1625 calculate D2E/DX2 analytically ! ! D89 D(16,14,15,18) 151.8133 calculate D2E/DX2 analytically ! ! D90 D(14,15,18,7) 19.5665 calculate D2E/DX2 analytically ! ! D91 D(7,19,21,20) -17.291 calculate D2E/DX2 analytically ! ! D92 D(7,19,21,22) -136.1554 calculate D2E/DX2 analytically ! ! D93 D(7,19,21,23) 102.1522 calculate D2E/DX2 analytically ! ! D94 D(8,20,21,19) 17.2889 calculate D2E/DX2 analytically ! ! D95 D(8,20,21,22) 136.1557 calculate D2E/DX2 analytically ! ! D96 D(8,20,21,23) -102.1532 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 -3.466304 0.386997 -0.090768 2 6 0 -3.177081 -0.273520 -1.270643 3 6 0 -3.177398 2.459269 -1.270359 4 6 0 -3.466446 1.798436 -0.090610 5 1 0 -3.909496 -0.152761 0.742286 6 1 0 -3.909739 2.337922 0.742566 7 6 0 -5.035955 0.401279 -2.447393 8 6 0 -5.035942 1.784675 -2.447207 9 1 0 -3.316369 3.538203 -1.318831 10 1 0 -3.315826 -1.352472 -1.319357 11 6 0 -2.197493 1.871923 -2.264803 12 1 0 -2.397546 2.264922 -3.270705 13 1 0 -1.192475 2.233077 -2.006542 14 6 0 -2.197295 0.314260 -2.264942 15 1 0 -2.397181 -0.078620 -3.270924 16 1 0 -1.192198 -0.046674 -2.006675 17 1 0 -4.730755 2.439298 -3.252046 18 1 0 -4.730754 -0.253187 -3.252351 19 8 0 -6.077294 -0.051144 -1.640546 20 8 0 -6.077319 2.236925 -1.640291 21 6 0 -6.867707 1.092812 -1.350028 22 1 0 -7.136286 1.092723 -0.289956 23 1 0 -7.774675 1.092842 -1.980422 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.382765 0.000000 3 C 2.401919 2.732789 0.000000 4 C 1.411439 2.401918 1.382771 0.000000 5 H 1.087077 2.145436 3.377782 2.167298 0.000000 6 H 2.167300 3.377784 2.145441 1.087077 2.490683 7 C 2.831553 2.301197 3.012468 3.157504 3.427816 8 C 3.157542 3.012612 2.300920 2.831441 3.898128 9 H 3.385368 3.814571 1.088927 2.134910 4.268866 10 H 2.134907 1.088926 3.814568 3.385370 2.458073 11 C 2.922553 2.559467 1.514631 2.518483 4.009100 12 H 3.844586 3.324396 2.155765 3.387205 4.922934 13 H 3.499786 3.280737 2.129095 3.005104 4.542079 14 C 2.518473 1.514627 2.559465 2.922540 3.491871 15 H 3.387214 2.155772 3.324437 3.844615 4.289341 16 H 3.005050 2.129076 3.280691 3.499706 3.866749 17 H 3.975482 3.701249 2.518015 3.464659 4.831969 18 H 3.464719 2.518230 3.701165 3.975454 4.079421 19 O 3.067743 2.932152 3.853389 3.555246 3.222974 20 O 3.555370 3.853616 2.931864 3.067644 4.010826 21 C 3.695058 3.936227 3.935979 3.694945 3.831480 22 H 3.742525 4.301589 4.301329 3.742392 3.609561 23 H 4.757212 4.848567 4.848326 4.757109 4.889200 6 7 8 9 10 6 H 0.000000 7 C 3.898049 0.000000 8 C 3.427691 1.383396 0.000000 9 H 2.458072 3.751123 2.702781 0.000000 10 H 4.268872 2.703137 3.751338 4.890675 0.000000 11 C 3.491878 3.202031 2.845642 2.218837 3.541364 12 H 4.289336 3.333498 2.805338 2.505053 4.211477 13 H 3.866796 4.280441 3.894546 2.585967 4.223388 14 C 4.009087 2.845848 3.202071 3.541364 2.218837 15 H 4.922967 2.805643 3.333682 4.211530 2.505039 16 H 4.541988 3.894787 4.280453 4.223337 2.585983 17 H 4.079371 2.212269 1.081405 2.635413 4.484956 18 H 4.831902 1.081402 2.212302 4.484821 2.635700 19 O 4.010630 1.392866 2.259502 4.539782 3.069580 20 O 3.222827 2.259524 1.392878 3.069121 4.540112 21 C 3.831295 2.244492 2.244513 4.311950 4.312333 22 H 3.609325 3.089340 3.089332 4.650884 4.651297 23 H 4.889030 2.863024 2.863072 5.127766 5.128148 11 12 13 14 15 11 C 0.000000 12 H 1.098321 0.000000 13 H 1.098723 1.746802 0.000000 14 C 1.557663 2.203802 2.181351 0.000000 15 H 2.203809 2.343542 2.897227 1.098321 0.000000 16 H 2.181344 2.897259 2.279751 1.098724 1.746806 17 H 2.777405 2.339790 3.756758 3.450881 3.433050 18 H 3.450906 3.432939 4.500330 2.777659 2.340167 19 O 4.375013 4.643504 5.404912 3.946870 4.025186 20 O 3.946681 4.024893 4.898556 4.375090 4.643719 21 C 4.822315 5.004516 5.825759 4.822443 5.004767 22 H 5.375765 5.719665 6.290943 5.375891 5.719907 23 H 5.638510 5.652620 6.680283 5.638644 5.652890 16 17 18 19 20 16 H 0.000000 17 H 4.500266 0.000000 18 H 3.757091 2.692485 0.000000 19 O 4.898799 3.257668 2.109954 0.000000 20 O 5.404949 2.109963 3.257704 2.288069 0.000000 21 C 5.825892 3.161845 3.161821 1.420489 1.420549 22 H 6.291068 4.046458 4.046460 2.062520 2.062526 23 H 6.680433 3.563063 3.563012 2.074927 2.075002 21 22 23 21 C 0.000000 22 H 1.093566 0.000000 23 H 1.104530 1.806991 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 0.813817 -0.705909 1.466673 2 6 0 1.103040 -1.366426 0.286798 3 6 0 1.102723 1.366363 0.287082 4 6 0 0.813675 0.705530 1.466831 5 1 0 0.370625 -1.245667 2.299727 6 1 0 0.370382 1.245016 2.300007 7 6 0 -0.755834 -0.691627 -0.889952 8 6 0 -0.755821 0.691769 -0.889766 9 1 0 0.963752 2.445297 0.238610 10 1 0 0.964295 -2.445378 0.238084 11 6 0 2.082628 0.779017 -0.707362 12 1 0 1.882575 1.172016 -1.713264 13 1 0 3.087646 1.140171 -0.449101 14 6 0 2.082826 -0.778646 -0.707501 15 1 0 1.882940 -1.171526 -1.713483 16 1 0 3.087923 -1.139580 -0.449234 17 1 0 -0.450634 1.346392 -1.694605 18 1 0 -0.450633 -1.346093 -1.694910 19 8 0 -1.797173 -1.144050 -0.083105 20 8 0 -1.797198 1.144019 -0.082850 21 6 0 -2.587586 -0.000094 0.207413 22 1 0 -2.856165 -0.000183 1.267485 23 1 0 -3.494554 -0.000064 -0.422981 --------------------------------------------------------------------- Rotational constants (GHZ): 1.9534411 0.9990354 0.9274128 Standard basis: 6-31G(d) (6D, 7F) AO basis set (Overlap normalization): Atom C1 Shell 1 S 6 bf 1 - 1 1.537891493635 -1.333974964725 2.771610503907 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 1.537891493635 -1.333974964725 2.771610503907 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 1.537891493635 -1.333974964725 2.771610503907 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C1 Shell 4 D 1 bf 10 - 15 1.537891493635 -1.333974964725 2.771610503907 0.8000000000D+00 0.1000000000D+01 Atom C2 Shell 5 S 6 bf 16 - 16 2.084443808287 -2.582171177493 0.541969882868 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 2.084443808287 -2.582171177493 0.541969882868 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 2.084443808287 -2.582171177493 0.541969882868 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C2 Shell 8 D 1 bf 25 - 30 2.084443808287 -2.582171177493 0.541969882868 0.8000000000D+00 0.1000000000D+01 Atom C3 Shell 9 S 6 bf 31 - 31 2.083844544498 2.582051611444 0.542506565090 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C3 Shell 10 SP 3 bf 32 - 35 2.083844544498 2.582051611444 0.542506565090 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C3 Shell 11 SP 1 bf 36 - 39 2.083844544498 2.582051611444 0.542506565090 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C3 Shell 12 D 1 bf 40 - 45 2.083844544498 2.582051611444 0.542506565090 0.8000000000D+00 0.1000000000D+01 Atom C4 Shell 13 S 6 bf 46 - 46 1.537623038585 1.333258198537 2.771909080636 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C4 Shell 14 SP 3 bf 47 - 50 1.537623038585 1.333258198537 2.771909080636 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C4 Shell 15 SP 1 bf 51 - 54 1.537623038585 1.333258198537 2.771909080636 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C4 Shell 16 D 1 bf 55 - 60 1.537623038585 1.333258198537 2.771909080636 0.8000000000D+00 0.1000000000D+01 Atom H5 Shell 17 S 3 bf 61 - 61 0.700380032921 -2.353969798536 4.345854417812 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 0.700380032921 -2.353969798536 4.345854417812 0.1612777588D+00 0.1000000000D+01 Atom H6 Shell 19 S 3 bf 63 - 63 0.699920628410 2.352738955278 4.346383541129 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 0.699920628410 2.352738955278 4.346383541129 0.1612777588D+00 0.1000000000D+01 Atom C7 Shell 21 S 6 bf 65 - 65 -1.428319021728 -1.306986022806 -1.681765344005 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 C7 Shell 22 SP 3 bf 66 - 69 -1.428319021728 -1.306986022806 -1.681765344005 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 C7 Shell 23 SP 1 bf 70 - 73 -1.428319021728 -1.306986022806 -1.681765344005 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C7 Shell 24 D 1 bf 74 - 79 -1.428319021728 -1.306986022806 -1.681765344005 0.8000000000D+00 0.1000000000D+01 Atom C8 Shell 25 S 6 bf 80 - 80 -1.428294566963 1.307253550525 -1.681413854944 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C8 Shell 26 SP 3 bf 81 - 84 -1.428294566963 1.307253550525 -1.681413854944 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C8 Shell 27 SP 1 bf 85 - 88 -1.428294566963 1.307253550525 -1.681413854944 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C8 Shell 28 D 1 bf 89 - 94 -1.428294566963 1.307253550525 -1.681413854944 0.8000000000D+00 0.1000000000D+01 Atom H9 Shell 29 S 3 bf 95 - 95 1.821227326987 4.620941375684 0.450907759977 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H9 Shell 30 S 1 bf 96 - 96 1.821227326987 4.620941375684 0.450907759977 0.1612777588D+00 0.1000000000D+01 Atom H10 Shell 31 S 3 bf 97 - 97 1.822253843078 -4.621094979222 0.449913764031 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H10 Shell 32 S 1 bf 98 - 98 1.822253843078 -4.621094979222 0.449913764031 0.1612777588D+00 0.1000000000D+01 Atom C11 Shell 33 S 6 bf 99 - 99 3.935596678157 1.472128605301 -1.336720249401 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 3.935596678157 1.472128605301 -1.336720249401 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 3.935596678157 1.472128605301 -1.336720249401 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C11 Shell 36 D 1 bf 108 - 113 3.935596678157 1.472128605301 -1.336720249401 0.8000000000D+00 0.1000000000D+01 Atom H12 Shell 37 S 3 bf 114 - 114 3.557551264369 2.214789069650 -3.237599545923 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H12 Shell 38 S 1 bf 115 - 115 3.557551264369 2.214789069650 -3.237599545923 0.1612777588D+00 0.1000000000D+01 Atom H13 Shell 39 S 3 bf 116 - 116 5.834805427623 2.154610838228 -0.848677688596 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H13 Shell 40 S 1 bf 117 - 117 5.834805427623 2.154610838228 -0.848677688596 0.1612777588D+00 0.1000000000D+01 Atom C14 Shell 41 S 6 bf 118 - 118 3.935970969674 -1.471427872012 -1.336982921334 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C14 Shell 42 SP 3 bf 119 - 122 3.935970969674 -1.471427872012 -1.336982921334 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C14 Shell 43 SP 1 bf 123 - 126 3.935970969674 -1.471427872012 -1.336982921334 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C14 Shell 44 D 1 bf 127 - 132 3.935970969674 -1.471427872012 -1.336982921334 0.8000000000D+00 0.1000000000D+01 Atom H15 Shell 45 S 3 bf 133 - 133 3.558241203591 -2.213863491236 -3.238013395946 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H15 Shell 46 S 1 bf 134 - 134 3.558241203591 -2.213863491236 -3.238013395946 0.1612777588D+00 0.1000000000D+01 Atom H16 Shell 47 S 3 bf 135 - 135 5.835329065795 -2.153494202922 -0.848929022172 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H16 Shell 48 S 1 bf 136 - 136 5.835329065795 -2.153494202922 -0.848929022172 0.1612777588D+00 0.1000000000D+01 Atom H17 Shell 49 S 3 bf 137 - 137 -0.851574770491 2.544311765449 -3.202339146010 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H17 Shell 50 S 1 bf 138 - 138 -0.851574770491 2.544311765449 -3.202339146010 0.1612777588D+00 0.1000000000D+01 Atom H18 Shell 51 S 3 bf 139 - 139 -0.851572663413 -2.543747501454 -3.202915512480 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H18 Shell 52 S 1 bf 140 - 140 -0.851572663413 -2.543747501454 -3.202915512480 0.1612777588D+00 0.1000000000D+01 Atom O19 Shell 53 S 6 bf 141 - 141 -3.396164506699 -2.161941673087 -0.157045482864 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 O19 Shell 54 SP 3 bf 142 - 145 -3.396164506699 -2.161941673087 -0.157045482864 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 O19 Shell 55 SP 1 bf 146 - 149 -3.396164506699 -2.161941673087 -0.157045482864 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 Atom O19 Shell 56 D 1 bf 150 - 155 -3.396164506699 -2.161941673087 -0.157045482864 0.8000000000D+00 0.1000000000D+01 Atom O20 Shell 57 S 6 bf 156 - 156 -3.396211934558 2.161882110057 -0.156563602701 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 O20 Shell 58 SP 3 bf 157 - 160 -3.396211934558 2.161882110057 -0.156563602701 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 O20 Shell 59 SP 1 bf 161 - 164 -3.396211934558 2.161882110057 -0.156563602701 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 Atom O20 Shell 60 D 1 bf 165 - 170 -3.396211934558 2.161882110057 -0.156563602701 0.8000000000D+00 0.1000000000D+01 Atom C21 Shell 61 S 6 bf 171 - 171 -4.889828700918 -0.000178188822 0.391953973809 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C21 Shell 62 SP 3 bf 172 - 175 -4.889828700918 -0.000178188822 0.391953973809 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C21 Shell 63 SP 1 bf 176 - 179 -4.889828700918 -0.000178188822 0.391953973809 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C21 Shell 64 D 1 bf 180 - 185 -4.889828700918 -0.000178188822 0.391953973809 0.8000000000D+00 0.1000000000D+01 Atom H22 Shell 65 S 3 bf 186 - 186 -5.397369455955 -0.000346396129 2.395199734950 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 -5.397369455955 -0.000346396129 2.395199734950 0.1612777588D+00 0.1000000000D+01 Atom H23 Shell 67 S 3 bf 188 - 188 -6.603749832211 -0.000121570253 -0.799318042005 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H23 Shell 68 S 1 bf 189 - 189 -6.603749832211 -0.000121570253 -0.799318042005 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 649.1440056886 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: "chk.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) = -500.490586536 A.U. after 1 cycles NFock= 1 Conv=0.21D-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 8.84D-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. 53 vectors produced by pass 5 Test12= 8.43D-15 1.39D-09 XBig12= 9.23D-10 2.85D-06. 3 vectors produced by pass 6 Test12= 8.43D-15 1.39D-09 XBig12= 6.79D-13 1.01D-07. 2 vectors produced by pass 7 Test12= 8.43D-15 1.39D-09 XBig12= 5.35D-16 3.35D-09. InvSVY: IOpt=1 It= 1 EMax= 1.78D-14 Solved reduced A of dimension 403 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 -- -10.18579 -10.18562 -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 -0.60784 -0.60673 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 -0.36269 -0.35121 -0.34582 Alpha occ. eigenvalues -- -0.32849 -0.32252 -0.31725 -0.27465 -0.19648 Alpha occ. eigenvalues -- -0.19052 Alpha virt. eigenvalues -- -0.00462 0.01543 0.08100 0.10931 0.11267 Alpha virt. eigenvalues -- 0.11966 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 0.21252 0.24290 0.24318 0.24789 Alpha virt. eigenvalues -- 0.30577 0.31743 0.32866 0.37585 0.43552 Alpha virt. eigenvalues -- 0.47078 0.48268 0.48732 0.50574 0.53041 Alpha virt. eigenvalues -- 0.53411 0.54682 0.57017 0.57365 0.58249 Alpha virt. eigenvalues -- 0.58292 0.60597 0.62645 0.64669 0.65172 Alpha virt. eigenvalues -- 0.68028 0.69177 0.72548 0.73815 0.74707 Alpha virt. eigenvalues -- 0.76305 0.80486 0.81301 0.82474 0.83567 Alpha virt. eigenvalues -- 0.84782 0.84911 0.85913 0.86661 0.88232 Alpha virt. eigenvalues -- 0.88805 0.89108 0.89726 0.90402 0.91949 Alpha virt. eigenvalues -- 0.95056 0.96227 0.97337 0.98560 1.01134 Alpha virt. eigenvalues -- 1.05343 1.07614 1.12040 1.12968 1.14031 Alpha virt. eigenvalues -- 1.14812 1.19960 1.20299 1.25152 1.28995 Alpha virt. eigenvalues -- 1.31430 1.32933 1.39991 1.41504 1.44139 Alpha virt. eigenvalues -- 1.46297 1.48672 1.53313 1.56391 1.58415 Alpha virt. eigenvalues -- 1.62899 1.64404 1.67981 1.73245 1.74685 Alpha virt. eigenvalues -- 1.75979 1.79218 1.85799 1.87087 1.89384 Alpha virt. eigenvalues -- 1.89863 1.94416 1.96129 1.96314 1.98887 Alpha virt. eigenvalues -- 2.01319 2.01546 2.02323 2.05929 2.07782 Alpha virt. eigenvalues -- 2.09878 2.11355 2.18119 2.18368 2.23786 Alpha virt. eigenvalues -- 2.26190 2.27827 2.27963 2.31628 2.31862 Alpha virt. eigenvalues -- 2.37240 2.41459 2.44861 2.45989 2.46406 Alpha virt. eigenvalues -- 2.48232 2.51089 2.55038 2.59076 2.63365 Alpha virt. eigenvalues -- 2.64875 2.67413 2.69191 2.70152 2.75478 Alpha virt. eigenvalues -- 2.76755 2.80346 2.88870 2.89677 2.94339 Alpha virt. eigenvalues -- 3.13275 3.13758 4.01184 4.12433 4.12773 Alpha virt. eigenvalues -- 4.22311 4.28838 4.36076 4.37990 4.44862 Alpha virt. eigenvalues -- 4.50900 4.60325 4.87095 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 0.00003 0.00000 -0.00001 -0.00016 0.00014 2 2S 0.00008 -0.00003 -0.00003 -0.00021 0.00032 3 2PX -0.00007 -0.00001 0.00004 0.00009 -0.00005 4 2PY -0.00001 0.00000 -0.00001 -0.00005 -0.00002 5 2PZ -0.00003 -0.00001 -0.00004 0.00014 -0.00014 6 3S -0.00088 0.00041 0.00056 0.00021 -0.00042 7 3PX 0.00010 -0.00003 -0.00004 -0.00015 0.00041 8 3PY -0.00026 0.00012 -0.00012 0.00018 -0.00110 9 3PZ 0.00032 -0.00009 -0.00013 -0.00010 -0.00054 10 4XX 0.00009 0.00000 -0.00003 -0.00015 0.00015 11 4YY 0.00005 0.00001 -0.00001 -0.00013 0.00013 12 4ZZ 0.00004 0.00000 0.00000 -0.00014 0.00013 13 4XY 0.00001 -0.00001 0.00001 -0.00004 0.00008 14 4XZ 0.00002 0.00001 -0.00002 0.00003 -0.00002 15 4YZ 0.00001 0.00000 0.00000 0.00004 0.00001 16 2 C 1S -0.00002 -0.00001 0.00003 -0.00009 0.00025 17 2S -0.00013 -0.00003 0.00008 -0.00040 0.00093 18 2PX -0.00004 -0.00002 -0.00004 0.00006 -0.00005 19 2PY 0.00000 -0.00001 0.00004 -0.00007 0.00013 20 2PZ 0.00003 0.00001 0.00002 -0.00002 0.00005 21 3S 0.00104 0.00003 -0.00054 0.00143 -0.00418 22 3PX 0.00011 0.00010 0.00018 -0.00077 0.00116 23 3PY 0.00042 -0.00001 -0.00038 0.00028 -0.00133 24 3PZ -0.00027 -0.00017 -0.00029 -0.00005 -0.00027 25 4XX 0.00003 0.00000 0.00004 -0.00002 0.00012 26 4YY -0.00001 -0.00001 0.00003 -0.00018 0.00028 27 4ZZ 0.00000 0.00000 0.00002 -0.00010 0.00022 28 4XY 0.00001 0.00001 0.00002 -0.00008 0.00014 29 4XZ -0.00001 0.00000 0.00002 0.00008 -0.00009 30 4YZ -0.00002 -0.00001 -0.00002 0.00000 0.00001 31 3 C 1S 0.00000 -0.00002 0.00003 -0.00009 -0.00025 32 2S 0.00004 -0.00013 0.00008 -0.00040 -0.00093 33 2PX 0.00000 -0.00005 -0.00004 0.00006 0.00005 34 2PY 0.00001 0.00001 -0.00004 0.00007 0.00013 35 2PZ 0.00000 0.00003 0.00002 -0.00002 -0.00005 36 3S -0.00047 0.00093 -0.00054 0.00142 0.00418 37 3PX 0.00004 0.00014 0.00018 -0.00077 -0.00117 38 3PY 0.00021 -0.00037 0.00038 -0.00028 -0.00133 39 3PZ -0.00002 -0.00032 -0.00029 -0.00005 0.00027 40 4XX -0.00002 0.00003 0.00004 -0.00002 -0.00012 41 4YY -0.00001 -0.00001 0.00003 -0.00018 -0.00028 42 4ZZ 0.00000 0.00000 0.00002 -0.00010 -0.00022 43 4XY 0.00000 -0.00001 -0.00002 0.00008 0.00014 44 4XZ 0.00001 -0.00001 0.00002 0.00008 0.00009 45 4YZ 0.00000 0.00002 0.00002 0.00000 0.00001 46 4 C 1S -0.00002 0.00002 -0.00001 -0.00016 -0.00014 47 2S -0.00006 0.00005 -0.00003 -0.00021 -0.00032 48 2PX 0.00002 -0.00006 0.00004 0.00009 0.00005 49 2PY 0.00000 0.00001 0.00001 0.00005 -0.00002 50 2PZ 0.00000 -0.00003 -0.00004 0.00014 0.00014 51 3S 0.00078 -0.00057 0.00056 0.00021 0.00042 52 3PX -0.00007 0.00007 -0.00004 -0.00015 -0.00041 53 3PY -0.00023 0.00017 0.00012 -0.00018 -0.00110 54 3PZ -0.00023 0.00024 -0.00013 -0.00010 0.00054 55 4XX -0.00004 0.00008 -0.00003 -0.00015 -0.00015 56 4YY -0.00002 0.00005 -0.00001 -0.00013 -0.00013 57 4ZZ -0.00002 0.00003 0.00000 -0.00014 -0.00013 58 4XY 0.00002 0.00000 -0.00001 0.00004 0.00008 59 4XZ 0.00000 0.00002 -0.00002 0.00003 0.00002 60 4YZ 0.00001 -0.00001 0.00000 -0.00004 0.00001 61 5 H 1S 0.00004 -0.00001 -0.00003 0.00005 0.00002 62 2S -0.00006 0.00001 -0.00005 -0.00014 0.00013 63 6 H 1S -0.00002 0.00003 -0.00003 0.00005 -0.00002 64 2S 0.00004 -0.00005 -0.00005 -0.00014 -0.00013 65 7 C 1S 0.00001 0.00000 -0.00012 0.70236 -0.70204 66 2S 0.00026 0.00013 -0.00037 0.03462 -0.03560 67 2PX -0.00026 -0.00001 -0.00006 -0.00042 0.00032 68 2PY -0.00014 -0.00006 -0.00013 -0.00028 -0.00007 69 2PZ 0.00022 0.00003 0.00003 0.00052 -0.00061 70 3S -0.00207 -0.00030 0.00100 -0.00728 0.01890 71 3PX 0.00111 -0.00022 -0.00084 -0.00005 0.00002 72 3PY 0.00065 0.00018 0.00051 0.00055 0.00447 73 3PZ -0.00102 0.00018 0.00071 -0.00060 0.00249 74 4XX 0.00010 0.00000 0.00012 -0.00638 0.00611 75 4YY 0.00012 -0.00008 -0.00003 -0.00643 0.00589 76 4ZZ 0.00005 -0.00004 -0.00006 -0.00635 0.00607 77 4XY 0.00006 0.00004 -0.00004 0.00009 0.00004 78 4XZ -0.00007 0.00000 -0.00017 -0.00020 0.00020 79 4YZ -0.00006 -0.00005 -0.00001 0.00008 -0.00001 80 8 C 1S -0.00001 0.00000 -0.00012 0.70170 0.70271 81 2S -0.00001 0.00029 -0.00037 0.03458 0.03564 82 2PX 0.00011 -0.00023 -0.00006 -0.00042 -0.00032 83 2PY -0.00001 0.00015 0.00013 0.00028 -0.00007 84 2PZ -0.00008 0.00021 0.00003 0.00052 0.00061 85 3S 0.00073 -0.00196 0.00100 -0.00726 -0.01891 86 3PX -0.00073 0.00086 -0.00084 -0.00005 -0.00002 87 3PY 0.00015 -0.00066 -0.00051 -0.00056 0.00447 88 3PZ 0.00065 -0.00081 0.00071 -0.00060 -0.00249 89 4XX -0.00005 0.00009 0.00012 -0.00638 -0.00611 90 4YY -0.00013 0.00006 -0.00003 -0.00642 -0.00590 91 4ZZ -0.00006 0.00003 -0.00006 -0.00634 -0.00608 92 4XY 0.00000 -0.00008 0.00004 -0.00009 0.00004 93 4XZ 0.00003 -0.00006 -0.00017 -0.00020 -0.00020 94 4YZ 0.00001 0.00007 0.00001 -0.00008 -0.00001 95 9 H 1S 0.00000 0.00000 0.00000 -0.00007 -0.00009 96 2S -0.00003 0.00006 -0.00012 -0.00010 -0.00006 97 10 H 1S 0.00000 0.00000 0.00000 -0.00007 0.00009 98 2S 0.00007 0.00000 -0.00012 -0.00010 0.00006 99 11 C 1S -0.00001 0.00002 -0.00002 -0.00007 -0.00005 100 2S -0.00006 0.00012 -0.00005 -0.00009 -0.00007 101 2PX 0.00002 0.00000 0.00004 0.00013 0.00014 102 2PY -0.00001 -0.00002 0.00004 0.00003 -0.00001 103 2PZ 0.00001 -0.00002 0.00000 0.00005 -0.00002 104 3S 0.00047 -0.00084 0.00003 0.00021 -0.00052 105 3PX -0.00027 0.00039 -0.00022 -0.00031 -0.00031 106 3PY -0.00017 0.00002 -0.00017 0.00004 0.00019 107 3PZ 0.00005 -0.00017 0.00006 -0.00029 -0.00052 108 4XX -0.00001 0.00001 -0.00002 -0.00005 -0.00006 109 4YY 0.00000 0.00003 -0.00003 -0.00005 -0.00005 110 4ZZ -0.00001 0.00002 -0.00002 -0.00003 -0.00003 111 4XY 0.00001 0.00001 0.00000 -0.00003 0.00001 112 4XZ -0.00001 0.00003 -0.00002 0.00002 0.00001 113 4YZ 0.00000 0.00000 -0.00001 0.00002 0.00005 114 12 H 1S -0.00003 0.00006 -0.00002 -0.00003 -0.00004 115 2S 0.00002 -0.00002 0.00007 -0.00036 -0.00027 116 13 H 1S 0.00000 0.00001 0.00002 0.00000 0.00004 117 2S 0.00007 -0.00007 0.00011 0.00031 0.00036 118 14 C 1S 0.00003 0.00000 -0.00002 -0.00007 0.00005 119 2S 0.00013 0.00000 -0.00005 -0.00009 0.00007 120 2PX -0.00001 0.00001 0.00004 0.00013 -0.00014 121 2PY 0.00001 0.00002 -0.00004 -0.00003 -0.00001 122 2PZ -0.00002 0.00000 0.00000 0.00005 0.00002 123 3S -0.00096 0.00001 0.00003 0.00021 0.00052 124 3PX 0.00047 -0.00005 -0.00022 -0.00031 0.00031 125 3PY -0.00010 0.00014 0.00017 -0.00004 0.00019 126 3PZ -0.00017 -0.00003 0.00006 -0.00029 0.00052 127 4XX 0.00001 -0.00001 -0.00002 -0.00005 0.00006 128 4YY 0.00002 0.00001 -0.00003 -0.00005 0.00004 129 4ZZ 0.00002 0.00000 -0.00002 -0.00003 0.00003 130 4XY 0.00000 -0.00001 0.00000 0.00003 0.00001 131 4XZ 0.00003 0.00001 -0.00002 0.00002 -0.00001 132 4YZ 0.00000 0.00000 0.00001 -0.00002 0.00005 133 15 H 1S 0.00007 0.00000 -0.00002 -0.00003 0.00004 134 2S -0.00003 0.00000 0.00007 -0.00036 0.00027 135 16 H 1S 0.00001 0.00001 0.00002 0.00000 -0.00004 136 2S -0.00009 0.00003 0.00011 0.00031 -0.00036 137 17 H 1S 0.00004 0.00011 0.00006 -0.00027 -0.00008 138 2S 0.00009 0.00003 0.00031 0.00163 0.00089 139 18 H 1S 0.00007 0.00009 0.00006 -0.00027 0.00008 140 2S -0.00002 0.00010 0.00031 0.00163 -0.00089 141 19 O 1S 0.96175 0.24596 -0.00006 -0.00003 0.00013 142 2S 0.02493 0.00645 0.00005 0.00011 0.00031 143 2PX 0.00012 0.00002 0.00010 -0.00010 0.00007 144 2PY 0.00085 0.00019 0.00000 0.00004 0.00003 145 2PZ -0.00030 -0.00008 -0.00005 0.00003 -0.00003 146 3S 0.01281 0.00301 0.00094 -0.00008 -0.00324 147 3PX 0.00031 0.00001 -0.00058 0.00043 -0.00052 148 3PY 0.00035 0.00018 -0.00045 -0.00072 -0.00023 149 3PZ -0.00022 0.00003 0.00039 0.00015 0.00001 150 4XX -0.00796 -0.00203 -0.00014 -0.00015 0.00034 151 4YY -0.00802 -0.00209 -0.00049 -0.00001 0.00036 152 4ZZ -0.00796 -0.00198 0.00005 -0.00005 0.00033 153 4XY 0.00003 0.00000 0.00025 -0.00004 0.00016 154 4XZ 0.00002 0.00002 0.00017 0.00030 -0.00037 155 4YZ 0.00001 0.00001 -0.00004 0.00014 -0.00014 156 20 O 1S -0.24595 0.96176 -0.00006 -0.00003 -0.00013 157 2S -0.00631 0.02497 0.00005 0.00011 -0.00031 158 2PX -0.00004 0.00012 0.00010 -0.00010 -0.00007 159 2PY 0.00024 -0.00084 0.00000 -0.00004 0.00003 160 2PZ 0.00008 -0.00030 -0.00005 0.00003 0.00003 161 3S -0.00351 0.01268 0.00094 -0.00008 0.00324 162 3PX -0.00014 0.00028 -0.00058 0.00043 0.00052 163 3PY 0.00001 -0.00039 0.00045 0.00072 -0.00023 164 3PZ 0.00013 -0.00017 0.00039 0.00015 -0.00001 165 4XX 0.00204 -0.00796 -0.00014 -0.00015 -0.00034 166 4YY 0.00202 -0.00804 -0.00049 -0.00001 -0.00036 167 4ZZ 0.00208 -0.00793 0.00005 -0.00005 -0.00033 168 4XY 0.00001 -0.00003 -0.00025 0.00004 0.00016 169 4XZ 0.00000 0.00003 0.00017 0.00030 0.00037 170 4YZ 0.00000 -0.00001 0.00004 -0.00014 -0.00014 171 21 C 1S 0.00001 0.00002 0.99303 0.00002 0.00000 172 2S 0.00019 0.00031 0.04865 -0.00053 0.00000 173 2PX 0.00014 0.00023 0.00093 0.00014 0.00000 174 2PY -0.00038 0.00022 0.00000 0.00000 -0.00006 175 2PZ -0.00004 -0.00006 -0.00040 -0.00001 0.00000 176 3S -0.00141 -0.00238 -0.01346 0.00269 0.00000 177 3PX -0.00042 -0.00070 -0.00021 0.00125 0.00000 178 3PY 0.00102 -0.00060 0.00000 0.00000 -0.00003 179 3PZ 0.00006 0.00009 0.00041 -0.00115 0.00000 180 4XX 0.00008 0.00013 -0.00874 0.00018 0.00000 181 4YY 0.00019 0.00032 -0.00875 0.00004 0.00000 182 4ZZ 0.00001 0.00002 -0.00880 -0.00009 0.00000 183 4XY -0.00016 0.00010 0.00000 0.00000 0.00004 184 4XZ -0.00003 -0.00005 -0.00006 -0.00017 0.00000 185 4YZ 0.00005 -0.00003 0.00000 0.00000 -0.00006 186 22 H 1S 0.00009 0.00015 -0.00017 -0.00001 0.00000 187 2S 0.00007 0.00012 0.00248 0.00023 0.00000 188 23 H 1S 0.00007 0.00011 -0.00010 -0.00021 0.00000 189 2S -0.00001 -0.00001 0.00276 -0.00014 0.00000 6 7 8 9 10 O O O O O Eigenvalues -- -10.18579 -10.18562 -10.18500 -10.18498 -10.16918 1 1 C 1S 0.00171 -0.00236 -0.01242 0.01390 0.70297 2 2S -0.00016 0.00012 -0.00037 0.00035 0.03496 3 2PX -0.00008 0.00004 0.00011 -0.00008 -0.00014 4 2PY -0.00005 -0.00007 -0.00011 0.00010 -0.00011 5 2PZ 0.00013 -0.00012 0.00004 0.00013 -0.00024 6 3S 0.00108 -0.00156 -0.00924 0.00346 -0.00786 7 3PX 0.00017 -0.00023 -0.00198 0.00050 0.00012 8 3PY -0.00018 0.00036 -0.00028 -0.00048 0.00067 9 3PZ -0.00066 0.00122 0.00501 -0.00159 0.00109 10 4XX -0.00012 0.00009 0.00013 -0.00021 -0.00671 11 4YY -0.00005 0.00011 0.00024 -0.00021 -0.00676 12 4ZZ -0.00008 0.00007 0.00018 -0.00024 -0.00660 13 4XY 0.00003 -0.00006 -0.00004 0.00002 0.00002 14 4XZ -0.00004 0.00002 -0.00002 0.00003 -0.00010 15 4YZ 0.00004 0.00001 0.00009 -0.00016 -0.00001 16 2 C 1S 0.10572 -0.13874 -0.65985 0.72130 -0.01374 17 2S 0.00515 -0.00698 -0.03448 0.03623 -0.00088 18 2PX -0.00010 -0.00003 0.00015 -0.00004 -0.00002 19 2PY -0.00007 -0.00006 -0.00051 0.00015 -0.00007 20 2PZ 0.00007 0.00009 0.00020 -0.00011 -0.00022 21 3S 0.00062 -0.00022 0.02238 -0.01377 0.00249 22 3PX 0.00119 -0.00127 0.00033 -0.00005 -0.00029 23 3PY 0.00040 -0.00038 0.00681 -0.00146 0.00054 24 3PZ -0.00131 0.00139 0.00024 0.00030 0.00130 25 4XX -0.00118 0.00140 0.00562 -0.00661 0.00008 26 4YY -0.00100 0.00131 0.00546 -0.00636 0.00013 27 4ZZ -0.00115 0.00134 0.00553 -0.00640 -0.00004 28 4XY -0.00003 0.00001 -0.00003 0.00003 0.00000 29 4XZ 0.00006 -0.00009 0.00000 -0.00013 0.00003 30 4YZ 0.00007 -0.00007 -0.00001 0.00008 -0.00003 31 3 C 1S 0.10554 0.13946 0.71586 0.66562 -0.01369 32 2S 0.00514 0.00702 0.03729 0.03333 -0.00088 33 2PX -0.00010 0.00002 -0.00015 -0.00003 -0.00002 34 2PY 0.00007 -0.00006 -0.00052 -0.00011 0.00007 35 2PZ 0.00007 -0.00009 -0.00021 -0.00009 -0.00022 36 3S 0.00061 0.00022 -0.02342 -0.01193 0.00248 37 3PX 0.00118 0.00127 -0.00034 -0.00002 -0.00029 38 3PY -0.00039 -0.00038 0.00691 0.00091 -0.00054 39 3PZ -0.00131 -0.00139 -0.00021 0.00032 0.00130 40 4XX -0.00118 -0.00141 -0.00614 -0.00613 0.00008 41 4YY -0.00100 -0.00131 -0.00596 -0.00590 0.00013 42 4ZZ -0.00114 -0.00134 -0.00603 -0.00593 -0.00004 43 4XY 0.00003 0.00001 -0.00004 -0.00003 0.00000 44 4XZ 0.00006 0.00009 -0.00001 -0.00013 0.00003 45 4YZ -0.00007 -0.00007 -0.00002 -0.00008 0.00003 46 4 C 1S 0.00171 0.00237 0.01350 0.01285 0.70061 47 2S -0.00016 -0.00012 0.00040 0.00032 0.03484 48 2PX -0.00008 -0.00004 -0.00012 -0.00008 -0.00014 49 2PY 0.00005 -0.00007 -0.00012 -0.00009 0.00011 50 2PZ 0.00013 0.00012 -0.00003 0.00014 -0.00024 51 3S 0.00108 0.00156 0.00949 0.00271 -0.00780 52 3PX 0.00017 0.00023 0.00202 0.00034 0.00012 53 3PY 0.00018 0.00036 -0.00024 0.00050 -0.00069 54 3PZ -0.00065 -0.00122 -0.00512 -0.00118 0.00108 55 4XX -0.00012 -0.00009 -0.00015 -0.00020 -0.00669 56 4YY -0.00005 -0.00011 -0.00025 -0.00019 -0.00674 57 4ZZ -0.00008 -0.00007 -0.00020 -0.00022 -0.00658 58 4XY -0.00003 -0.00006 -0.00004 -0.00002 -0.00002 59 4XZ -0.00004 -0.00002 0.00002 0.00003 -0.00010 60 4YZ -0.00004 0.00001 0.00010 0.00016 0.00001 61 5 H 1S -0.00001 0.00001 -0.00006 -0.00008 -0.00030 62 2S 0.00027 -0.00028 -0.00096 0.00027 0.00137 63 6 H 1S -0.00001 -0.00001 0.00005 -0.00008 -0.00030 64 2S 0.00027 0.00029 0.00098 0.00020 0.00137 65 7 C 1S 0.00001 0.00002 0.00020 -0.00012 0.00001 66 2S -0.00010 0.00020 0.00130 -0.00061 -0.00027 67 2PX -0.00011 0.00009 0.00015 -0.00009 -0.00007 68 2PY 0.00003 -0.00006 -0.00008 -0.00005 -0.00017 69 2PZ 0.00003 -0.00005 0.00009 -0.00003 -0.00020 70 3S 0.00045 -0.00068 -0.00965 0.00285 0.00077 71 3PX 0.00068 -0.00175 -0.00017 0.00037 -0.00033 72 3PY -0.00016 0.00022 -0.00202 -0.00053 0.00043 73 3PZ -0.00043 0.00128 -0.00393 0.00097 0.00098 74 4XX -0.00009 0.00011 0.00002 0.00000 -0.00015 75 4YY -0.00007 0.00013 0.00025 -0.00016 -0.00014 76 4ZZ -0.00012 0.00011 0.00020 -0.00012 -0.00016 77 4XY -0.00004 -0.00003 -0.00004 -0.00006 0.00003 78 4XZ 0.00006 -0.00007 0.00000 0.00006 -0.00006 79 4YZ 0.00005 -0.00004 -0.00002 -0.00008 -0.00006 80 8 C 1S 0.00001 -0.00002 -0.00020 -0.00010 0.00001 81 2S -0.00010 -0.00020 -0.00134 -0.00050 -0.00027 82 2PX -0.00011 -0.00009 -0.00016 -0.00008 -0.00007 83 2PY -0.00003 -0.00006 -0.00008 0.00005 0.00017 84 2PZ 0.00003 0.00005 -0.00009 -0.00002 -0.00020 85 3S 0.00045 0.00068 0.00985 0.00206 0.00075 86 3PX 0.00068 0.00175 0.00020 0.00036 -0.00033 87 3PY 0.00016 0.00022 -0.00197 0.00069 -0.00043 88 3PZ -0.00042 -0.00128 0.00400 0.00065 0.00097 89 4XX -0.00009 -0.00011 -0.00002 0.00000 -0.00015 90 4YY -0.00007 -0.00013 -0.00026 -0.00013 -0.00014 91 4ZZ -0.00012 -0.00011 -0.00021 -0.00010 -0.00015 92 4XY 0.00004 -0.00003 -0.00004 0.00006 -0.00003 93 4XZ 0.00006 0.00007 0.00000 0.00006 -0.00006 94 4YZ -0.00005 -0.00004 -0.00001 0.00008 0.00006 95 9 H 1S -0.00011 -0.00008 -0.00017 -0.00009 -0.00003 96 2S 0.00042 0.00025 0.00033 0.00164 0.00004 97 10 H 1S -0.00011 0.00008 0.00017 -0.00010 -0.00003 98 2S 0.00042 -0.00025 -0.00019 0.00167 0.00004 99 11 C 1S 0.69292 0.68951 -0.14366 -0.10028 0.00025 100 2S 0.03474 0.03525 -0.00794 -0.00523 -0.00017 101 2PX -0.00009 -0.00014 -0.00013 0.00006 -0.00002 102 2PY 0.00002 -0.00006 -0.00008 -0.00001 0.00004 103 2PZ 0.00002 0.00002 0.00002 -0.00008 -0.00010 104 3S -0.00977 -0.01800 0.01308 0.00407 0.00051 105 3PX 0.00048 0.00111 -0.00256 -0.00097 -0.00003 106 3PY -0.00104 0.00254 -0.00156 0.00064 0.00004 107 3PZ -0.00032 -0.00046 0.00316 0.00087 0.00041 108 4XX -0.00630 -0.00599 0.00115 0.00077 -0.00004 109 4YY -0.00660 -0.00592 0.00107 0.00082 -0.00005 110 4ZZ -0.00630 -0.00601 0.00106 0.00072 -0.00004 111 4XY 0.00006 -0.00001 0.00015 0.00012 -0.00001 112 4XZ 0.00008 0.00010 0.00005 0.00007 -0.00006 113 4YZ -0.00004 0.00000 -0.00014 -0.00010 0.00001 114 12 H 1S -0.00009 0.00026 -0.00025 -0.00006 0.00001 115 2S 0.00193 0.00210 -0.00018 -0.00031 0.00023 116 13 H 1S -0.00012 0.00015 -0.00042 -0.00009 -0.00005 117 2S 0.00181 0.00185 -0.00031 -0.00016 -0.00015 118 14 C 1S 0.69525 -0.68728 0.13484 -0.11116 0.00025 119 2S 0.03486 -0.03514 0.00748 -0.00583 -0.00017 120 2PX -0.00009 0.00014 0.00013 0.00005 -0.00002 121 2PY -0.00002 -0.00006 -0.00008 0.00001 -0.00004 122 2PZ 0.00002 -0.00002 -0.00003 -0.00008 -0.00010 123 3S -0.00983 0.01797 -0.01271 0.00510 0.00051 124 3PX 0.00048 -0.00111 0.00248 -0.00117 -0.00003 125 3PY 0.00103 0.00254 -0.00160 -0.00051 -0.00004 126 3PZ -0.00032 0.00046 -0.00308 0.00112 0.00041 127 4XX -0.00632 0.00597 -0.00108 0.00085 -0.00004 128 4YY -0.00662 0.00589 -0.00100 0.00090 -0.00005 129 4ZZ -0.00632 0.00599 -0.00100 0.00080 -0.00004 130 4XY -0.00006 -0.00001 0.00014 -0.00013 0.00001 131 4XZ 0.00008 -0.00010 -0.00004 0.00007 -0.00006 132 4YZ 0.00004 0.00000 -0.00013 0.00011 -0.00001 133 15 H 1S -0.00009 -0.00026 0.00025 -0.00008 0.00001 134 2S 0.00193 -0.00210 0.00015 -0.00032 0.00023 135 16 H 1S -0.00012 -0.00015 0.00041 -0.00012 -0.00005 136 2S 0.00182 -0.00185 0.00029 -0.00018 -0.00015 137 17 H 1S -0.00006 -0.00024 -0.00015 -0.00012 0.00007 138 2S -0.00057 -0.00085 0.00057 -0.00024 0.00049 139 18 H 1S -0.00006 0.00024 0.00014 -0.00013 0.00007 140 2S -0.00057 0.00085 -0.00059 -0.00020 0.00049 141 19 O 1S -0.00003 0.00005 -0.00011 0.00006 0.00004 142 2S -0.00013 0.00022 -0.00054 0.00029 0.00025 143 2PX -0.00001 0.00001 -0.00006 0.00002 -0.00003 144 2PY 0.00000 0.00000 -0.00001 0.00002 0.00003 145 2PZ 0.00000 -0.00001 0.00001 -0.00004 -0.00003 146 3S 0.00064 -0.00137 0.00357 -0.00163 -0.00144 147 3PX 0.00021 -0.00035 0.00146 -0.00053 -0.00017 148 3PY 0.00011 -0.00014 0.00051 -0.00020 -0.00052 149 3PZ -0.00013 0.00028 -0.00046 0.00034 0.00010 150 4XX -0.00005 0.00010 -0.00011 0.00012 0.00009 151 4YY -0.00008 0.00015 -0.00031 0.00015 0.00000 152 4ZZ -0.00007 0.00012 -0.00034 0.00021 0.00014 153 4XY 0.00004 -0.00004 0.00008 -0.00002 -0.00003 154 4XZ -0.00003 0.00003 -0.00004 0.00003 0.00003 155 4YZ -0.00002 0.00003 -0.00002 -0.00001 0.00000 156 20 O 1S -0.00003 -0.00005 0.00011 0.00005 0.00004 157 2S -0.00013 -0.00022 0.00056 0.00024 0.00025 158 2PX -0.00001 -0.00001 0.00006 0.00002 -0.00003 159 2PY 0.00000 0.00000 -0.00002 -0.00002 -0.00003 160 2PZ 0.00000 0.00001 -0.00001 -0.00004 -0.00003 161 3S 0.00063 0.00137 -0.00369 -0.00134 -0.00144 162 3PX 0.00021 0.00035 -0.00150 -0.00041 -0.00017 163 3PY -0.00010 -0.00014 0.00052 0.00016 0.00052 164 3PZ -0.00012 -0.00028 0.00048 0.00030 0.00010 165 4XX -0.00005 -0.00010 0.00012 0.00011 0.00010 166 4YY -0.00008 -0.00015 0.00032 0.00012 0.00000 167 4ZZ -0.00007 -0.00012 0.00035 0.00018 0.00014 168 4XY -0.00004 -0.00004 0.00008 0.00001 0.00003 169 4XZ -0.00003 -0.00003 0.00004 0.00002 0.00003 170 4YZ 0.00002 0.00003 -0.00002 0.00001 0.00000 171 21 C 1S -0.00001 0.00000 0.00000 0.00000 0.00001 172 2S -0.00007 0.00000 0.00000 0.00007 0.00000 173 2PX -0.00001 0.00000 0.00000 0.00009 -0.00002 174 2PY 0.00000 -0.00002 0.00007 0.00000 0.00000 175 2PZ 0.00004 0.00000 0.00000 0.00004 -0.00011 176 3S 0.00025 0.00000 -0.00001 -0.00014 0.00050 177 3PX 0.00007 0.00000 -0.00001 -0.00014 0.00051 178 3PY 0.00000 0.00010 -0.00034 0.00001 0.00000 179 3PZ -0.00023 0.00000 -0.00002 -0.00047 0.00033 180 4XX -0.00001 0.00000 0.00000 0.00006 -0.00002 181 4YY 0.00000 0.00000 0.00000 0.00001 0.00007 182 4ZZ -0.00003 0.00000 0.00000 0.00005 -0.00002 183 4XY 0.00000 0.00002 0.00001 0.00000 0.00000 184 4XZ -0.00001 0.00000 0.00000 0.00001 -0.00004 185 4YZ 0.00000 0.00000 0.00001 0.00000 0.00000 186 22 H 1S 0.00001 0.00000 0.00000 0.00004 -0.00008 187 2S 0.00010 0.00000 0.00001 0.00027 -0.00018 188 23 H 1S -0.00003 0.00000 0.00000 -0.00006 0.00002 189 2S -0.00007 0.00000 -0.00001 -0.00017 0.00030 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 -0.70090 -0.00162 0.00106 -0.09183 0.02765 2 2S -0.03557 0.00206 -0.00129 0.17564 -0.05301 3 2PX 0.00008 -0.00094 0.00080 0.01145 -0.00581 4 2PY -0.00029 0.00019 0.00087 0.02828 -0.01094 5 2PZ 0.00030 -0.00123 0.00064 -0.05056 0.00537 6 3S 0.01692 0.00147 0.00885 0.10903 -0.03559 7 3PX 0.00026 -0.00114 0.00281 -0.00083 -0.00033 8 3PY 0.00339 0.00004 0.00000 0.00133 -0.00318 9 3PZ -0.00281 0.00032 -0.00615 -0.00076 0.00016 10 4XX 0.00644 0.00009 -0.00023 -0.00844 0.00268 11 4YY 0.00606 -0.00009 0.00037 0.00290 -0.00093 12 4ZZ 0.00630 -0.00015 0.00023 0.00103 0.00080 13 4XY -0.00004 -0.00003 0.00002 0.00046 -0.00030 14 4XZ 0.00013 0.00023 -0.00022 -0.00449 0.00189 15 4YZ -0.00013 0.00005 -0.00009 0.00012 0.00017 16 2 C 1S 0.01336 -0.00220 0.00284 -0.09083 0.01508 17 2S 0.00064 0.00217 -0.00019 0.16945 -0.02981 18 2PX 0.00005 -0.00174 0.00174 0.01463 -0.01409 19 2PY 0.00005 0.00066 0.00046 0.04658 -0.00964 20 2PZ 0.00010 -0.00015 0.00041 0.01668 -0.01498 21 3S -0.00372 0.00810 -0.02415 0.13002 -0.01718 22 3PX 0.00002 -0.00079 0.00466 0.00259 -0.00143 23 3PY -0.00115 0.00311 -0.01141 0.01294 0.00027 24 3PZ -0.00113 -0.00202 -0.00117 -0.00367 -0.00732 25 4XX -0.00013 0.00013 0.00000 -0.00594 0.00188 26 4YY -0.00002 -0.00037 0.00083 0.00085 -0.00037 27 4ZZ 0.00013 -0.00034 0.00064 -0.00009 -0.00054 28 4XY -0.00005 -0.00009 0.00020 0.00234 -0.00106 29 4XZ -0.00006 -0.00003 0.00010 -0.00570 0.00205 30 4YZ 0.00007 -0.00001 -0.00014 0.00227 -0.00148 31 3 C 1S -0.01340 -0.00220 -0.00284 -0.09083 0.01506 32 2S -0.00064 0.00217 0.00019 0.16945 -0.02975 33 2PX -0.00005 -0.00174 -0.00174 0.01464 -0.01409 34 2PY 0.00005 -0.00066 0.00046 -0.04658 0.00964 35 2PZ -0.00010 -0.00015 -0.00041 0.01667 -0.01498 36 3S 0.00373 0.00810 0.02416 0.13003 -0.01713 37 3PX -0.00002 -0.00079 -0.00466 0.00259 -0.00143 38 3PY -0.00115 -0.00311 -0.01141 -0.01294 -0.00027 39 3PZ 0.00114 -0.00202 0.00117 -0.00368 -0.00733 40 4XX 0.00013 0.00013 0.00000 -0.00594 0.00188 41 4YY 0.00002 -0.00037 -0.00083 0.00085 -0.00037 42 4ZZ -0.00013 -0.00034 -0.00064 -0.00009 -0.00054 43 4XY -0.00005 0.00009 0.00020 -0.00234 0.00106 44 4XZ 0.00006 -0.00003 -0.00010 -0.00570 0.00205 45 4YZ 0.00007 0.00001 -0.00014 -0.00227 0.00148 46 4 C 1S 0.70326 -0.00162 -0.00106 -0.09184 0.02764 47 2S 0.03569 0.00206 0.00129 0.17564 -0.05299 48 2PX -0.00008 -0.00094 -0.00080 0.01145 -0.00581 49 2PY -0.00029 -0.00019 0.00087 -0.02827 0.01095 50 2PZ -0.00030 -0.00123 -0.00064 -0.05057 0.00536 51 3S -0.01695 0.00147 -0.00885 0.10902 -0.03558 52 3PX -0.00026 -0.00114 -0.00281 -0.00083 -0.00033 53 3PY 0.00339 -0.00003 0.00000 -0.00133 0.00319 54 3PZ 0.00281 0.00032 0.00615 -0.00076 0.00016 55 4XX -0.00646 0.00009 0.00023 -0.00844 0.00268 56 4YY -0.00608 -0.00009 -0.00037 0.00290 -0.00093 57 4ZZ -0.00632 -0.00015 -0.00023 0.00103 0.00080 58 4XY -0.00004 0.00003 0.00002 -0.00046 0.00030 59 4XZ -0.00013 0.00023 0.00022 -0.00449 0.00189 60 4YZ -0.00013 -0.00005 -0.00009 -0.00012 -0.00017 61 5 H 1S 0.00023 0.00030 -0.00023 0.03509 -0.01343 62 2S -0.00081 0.00016 0.00072 0.00135 -0.00329 63 6 H 1S -0.00023 0.00030 0.00023 0.03509 -0.01342 64 2S 0.00081 0.00016 -0.00072 0.00135 -0.00330 65 7 C 1S 0.00004 -0.05690 0.04429 -0.02681 -0.12477 66 2S 0.00045 0.10585 -0.08757 0.05410 0.25049 67 2PX 0.00004 -0.06059 0.06091 0.01601 -0.01406 68 2PY -0.00002 0.00988 0.04421 0.01434 0.07148 69 2PZ 0.00021 0.04382 -0.04508 0.00182 -0.00956 70 3S -0.00396 0.03633 0.01199 0.03268 0.17748 71 3PX 0.00118 0.00348 -0.02172 0.00391 0.00558 72 3PY -0.00190 -0.00075 0.01849 0.00248 0.00957 73 3PZ -0.00246 -0.00645 0.03019 -0.00113 -0.00914 74 4XX 0.00010 0.00423 -0.00654 -0.00158 -0.01042 75 4YY 0.00008 -0.00144 0.00863 0.00141 0.00622 76 4ZZ 0.00014 -0.00125 -0.00163 -0.00085 -0.00708 77 4XY -0.00005 0.00187 -0.00594 -0.00004 -0.00010 78 4XZ 0.00010 -0.01133 0.01154 0.00049 -0.00503 79 4YZ -0.00003 -0.00107 0.00373 0.00095 0.00227 80 8 C 1S -0.00004 -0.05689 -0.04431 -0.02681 -0.12476 81 2S -0.00045 0.10583 0.08761 0.05410 0.25047 82 2PX -0.00004 -0.06057 -0.06093 0.01602 -0.01405 83 2PY -0.00002 -0.00990 0.04420 -0.01434 -0.07149 84 2PZ -0.00021 0.04380 0.04510 0.00181 -0.00958 85 3S 0.00396 0.03633 -0.01198 0.03269 0.17749 86 3PX -0.00118 0.00348 0.02172 0.00391 0.00558 87 3PY -0.00190 0.00075 0.01849 -0.00248 -0.00958 88 3PZ 0.00246 -0.00644 -0.03019 -0.00113 -0.00913 89 4XX -0.00010 0.00423 0.00654 -0.00158 -0.01042 90 4YY -0.00008 -0.00144 -0.00863 0.00141 0.00622 91 4ZZ -0.00014 -0.00125 0.00163 -0.00085 -0.00708 92 4XY -0.00005 -0.00187 -0.00593 0.00004 0.00010 93 4XZ -0.00010 -0.01133 -0.01154 0.00050 -0.00502 94 4YZ -0.00003 0.00107 0.00372 -0.00095 -0.00227 95 9 H 1S 0.00000 0.00048 0.00093 0.03695 -0.00500 96 2S 0.00002 0.00152 0.00347 0.00571 -0.00021 97 10 H 1S 0.00000 0.00048 -0.00093 0.03694 -0.00502 98 2S -0.00002 0.00151 -0.00347 0.00571 -0.00021 99 11 C 1S 0.00018 -0.00040 -0.00005 -0.08489 0.01846 100 2S -0.00018 0.00221 0.00292 0.15996 -0.03375 101 2PX 0.00002 -0.00109 -0.00093 -0.02348 -0.00351 102 2PY -0.00003 -0.00046 0.00039 -0.01949 0.00480 103 2PZ -0.00008 0.00003 -0.00028 0.02743 -0.00888 104 3S 0.00038 -0.00405 -0.01573 0.11480 -0.03570 105 3PX 0.00003 0.00390 0.00929 -0.00065 0.00035 106 3PY -0.00019 0.00020 0.00660 -0.00433 -0.00035 107 3PZ 0.00036 -0.00046 -0.00061 0.00302 -0.00252 108 4XX -0.00003 0.00020 0.00022 -0.00109 0.00101 109 4YY -0.00004 0.00035 0.00009 0.00166 -0.00025 110 4ZZ -0.00003 0.00026 0.00026 -0.00009 0.00003 111 4XY 0.00000 0.00015 -0.00021 -0.00007 0.00015 112 4XZ -0.00004 0.00011 0.00020 -0.00254 0.00072 113 4YZ -0.00005 0.00008 0.00013 0.00008 0.00002 114 12 H 1S 0.00000 0.00076 0.00135 0.03970 -0.00617 115 2S 0.00024 0.00037 0.00023 0.00578 0.00201 116 13 H 1S -0.00006 0.00003 -0.00006 0.04104 -0.01213 117 2S -0.00009 -0.00141 -0.00301 0.00393 -0.00228 118 14 C 1S -0.00018 -0.00040 0.00004 -0.08489 0.01847 119 2S 0.00018 0.00221 -0.00292 0.15996 -0.03378 120 2PX -0.00002 -0.00109 0.00093 -0.02348 -0.00350 121 2PY -0.00003 0.00046 0.00039 0.01948 -0.00478 122 2PZ 0.00008 0.00003 0.00028 0.02743 -0.00889 123 3S -0.00038 -0.00405 0.01573 0.11480 -0.03572 124 3PX -0.00003 0.00390 -0.00929 -0.00065 0.00035 125 3PY -0.00019 -0.00020 0.00659 0.00433 0.00036 126 3PZ -0.00036 -0.00046 0.00061 0.00303 -0.00252 127 4XX 0.00003 0.00020 -0.00022 -0.00109 0.00101 128 4YY 0.00004 0.00035 -0.00009 0.00166 -0.00025 129 4ZZ 0.00003 0.00026 -0.00026 -0.00009 0.00003 130 4XY 0.00000 -0.00015 -0.00021 0.00007 -0.00015 131 4XZ 0.00004 0.00011 -0.00020 -0.00254 0.00072 132 4YZ -0.00005 -0.00007 0.00013 -0.00008 -0.00002 133 15 H 1S 0.00000 0.00076 -0.00135 0.03970 -0.00618 134 2S -0.00023 0.00037 -0.00023 0.00578 0.00201 135 16 H 1S 0.00006 0.00003 0.00006 0.04104 -0.01214 136 2S 0.00009 -0.00141 0.00301 0.00393 -0.00229 137 17 H 1S 0.00014 0.01240 0.01389 0.01617 0.06953 138 2S 0.00108 -0.00543 -0.01045 0.00405 0.01114 139 18 H 1S -0.00014 0.01240 -0.01389 0.01617 0.06953 140 2S -0.00108 -0.00543 0.01045 0.00404 0.01113 141 19 O 1S -0.00001 -0.13072 0.15223 0.00874 0.01667 142 2S -0.00011 0.28296 -0.33386 -0.02045 -0.03953 143 2PX 0.00005 0.01173 -0.01915 0.02293 0.13342 144 2PY 0.00003 0.08699 -0.06063 -0.00894 -0.03454 145 2PZ 0.00005 -0.02447 0.03106 -0.00870 -0.08495 146 3S 0.00135 0.28640 -0.35988 -0.02061 -0.04325 147 3PX 0.00044 0.00340 -0.01862 0.01059 0.06055 148 3PY 0.00022 0.05252 -0.03653 -0.00389 -0.01468 149 3PZ -0.00039 -0.01121 0.02087 -0.00436 -0.03986 150 4XX 0.00007 -0.00064 -0.00054 0.00086 0.00155 151 4YY 0.00001 0.00724 0.00070 -0.00121 -0.00572 152 4ZZ 0.00001 -0.00547 0.00450 0.00058 0.00332 153 4XY 0.00003 -0.00207 -0.00029 0.00232 0.01288 154 4XZ -0.00001 -0.00670 0.00750 -0.00055 -0.00489 155 4YZ -0.00004 -0.00203 0.00255 -0.00086 -0.00752 156 20 O 1S 0.00001 -0.13068 -0.15226 0.00875 0.01667 157 2S 0.00011 0.28288 0.33393 -0.02046 -0.03954 158 2PX -0.00005 0.01174 0.01916 0.02293 0.13340 159 2PY 0.00003 -0.08696 -0.06064 0.00894 0.03455 160 2PZ -0.00005 -0.02448 -0.03108 -0.00870 -0.08492 161 3S -0.00135 0.28632 0.35996 -0.02063 -0.04327 162 3PX -0.00044 0.00340 0.01863 0.01058 0.06053 163 3PY 0.00022 -0.05251 -0.03654 0.00389 0.01469 164 3PZ 0.00039 -0.01122 -0.02089 -0.00436 -0.03985 165 4XX -0.00007 -0.00064 0.00054 0.00086 0.00156 166 4YY -0.00001 0.00724 -0.00070 -0.00121 -0.00572 167 4ZZ -0.00001 -0.00547 -0.00450 0.00058 0.00332 168 4XY 0.00003 0.00207 -0.00029 -0.00232 -0.01288 169 4XZ 0.00001 -0.00670 -0.00750 -0.00055 -0.00490 170 4YZ -0.00004 0.00203 0.00255 0.00086 0.00751 171 21 C 1S 0.00000 -0.08379 0.00000 0.01970 0.11339 172 2S 0.00000 0.16131 0.00001 -0.04074 -0.23761 173 2PX 0.00000 0.07990 0.00000 -0.00552 0.00194 174 2PY 0.00001 -0.00002 0.12924 0.00000 0.00001 175 2PZ 0.00000 -0.03329 0.00001 0.00181 -0.01809 176 3S 0.00000 0.02817 0.00000 -0.02453 -0.16898 177 3PX 0.00000 -0.01394 0.00000 0.00165 0.01305 178 3PY -0.00014 0.00000 0.00704 0.00000 0.00000 179 3PZ 0.00000 0.00247 0.00000 0.00090 -0.00529 180 4XX 0.00000 0.00385 0.00000 0.00089 0.00638 181 4YY 0.00000 0.00729 0.00000 -0.00134 -0.00340 182 4ZZ 0.00000 -0.00723 0.00000 0.00095 0.00332 183 4XY -0.00001 0.00000 0.02358 0.00000 0.00000 184 4XZ 0.00000 -0.00742 0.00000 0.00020 -0.00307 185 4YZ -0.00003 0.00000 -0.00927 0.00000 0.00000 186 22 H 1S 0.00000 0.02480 0.00000 -0.01054 -0.07838 187 2S 0.00000 0.00199 0.00000 -0.00171 -0.01785 188 23 H 1S 0.00000 0.02520 0.00000 -0.00996 -0.06749 189 2S 0.00000 -0.00134 0.00000 -0.00091 -0.01200 16 17 18 19 20 O O O O O Eigenvalues -- -0.73599 -0.72996 -0.64146 -0.60784 -0.60673 1 1 C 1S 0.10624 0.06309 0.00399 0.04860 -0.06544 2 2S -0.20696 -0.12601 -0.00651 -0.09876 0.13397 3 2PX 0.01158 -0.01281 -0.00191 -0.00079 -0.01189 4 2PY -0.05073 0.07622 -0.00060 0.06234 -0.08451 5 2PZ 0.00457 0.05688 -0.00505 0.01331 -0.01738 6 3S -0.14962 -0.07283 -0.00991 -0.07499 0.09811 7 3PX 0.00587 0.00392 -0.00028 0.00552 -0.00889 8 3PY -0.00539 0.02419 -0.00030 0.01626 -0.03210 9 3PZ -0.00676 -0.00813 0.00103 -0.01112 0.01445 10 4XX 0.00960 0.00421 0.00026 0.00311 -0.00407 11 4YY -0.00497 0.00622 0.00001 0.00454 -0.00598 12 4ZZ 0.00307 -0.00540 0.00065 -0.00167 0.00265 13 4XY -0.00112 0.00055 -0.00029 -0.00066 0.00208 14 4XZ 0.00307 0.00449 0.00056 0.00307 -0.00269 15 4YZ 0.00148 -0.00491 -0.00012 -0.00014 0.00035 16 2 C 1S 0.01112 0.12383 -0.00143 0.02145 -0.01659 17 2S -0.02090 -0.24000 0.00196 -0.04455 0.03355 18 2PX 0.05209 -0.01856 -0.00996 0.01776 -0.08364 19 2PY -0.01249 -0.00644 0.00240 -0.00627 0.00166 20 2PZ -0.09373 -0.01780 -0.00585 -0.08420 0.12390 21 3S -0.02240 -0.20502 0.00935 -0.04155 0.03917 22 3PX 0.00829 -0.00453 -0.00047 0.00307 -0.02181 23 3PY -0.00893 -0.00114 0.00471 0.00029 0.00144 24 3PZ -0.01618 0.00331 -0.00342 -0.02826 0.02681 25 4XX 0.00488 0.00730 -0.00114 0.00469 -0.00496 26 4YY -0.00068 0.00066 0.00007 -0.00062 0.00076 27 4ZZ -0.00140 0.00084 -0.00008 -0.00135 0.00140 28 4XY 0.00412 -0.00285 -0.00111 0.00091 -0.00273 29 4XZ -0.00257 0.00642 0.00095 0.00055 0.00399 30 4YZ -0.00795 -0.00210 -0.00051 -0.00336 0.00517 31 3 C 1S 0.01110 -0.12384 -0.00142 -0.02142 0.01660 32 2S -0.02086 0.24001 0.00194 0.04449 -0.03358 33 2PX 0.05209 0.01855 -0.00996 -0.01775 0.08365 34 2PY 0.01252 -0.00644 -0.00241 -0.00633 0.00169 35 2PZ -0.09373 0.01782 -0.00587 0.08421 -0.12389 36 3S -0.02237 0.20503 0.00934 0.04149 -0.03920 37 3PX 0.00829 0.00453 -0.00047 -0.00307 0.02181 38 3PY 0.00893 -0.00113 -0.00471 0.00027 0.00144 39 3PZ -0.01618 -0.00331 -0.00343 0.02827 -0.02681 40 4XX 0.00488 -0.00730 -0.00114 -0.00469 0.00496 41 4YY -0.00068 -0.00066 0.00007 0.00062 -0.00077 42 4ZZ -0.00140 -0.00084 -0.00008 0.00135 -0.00140 43 4XY -0.00412 -0.00285 0.00111 0.00091 -0.00273 44 4XZ -0.00257 -0.00642 0.00095 -0.00055 -0.00399 45 4YZ 0.00795 -0.00210 0.00051 -0.00336 0.00517 46 4 C 1S 0.10623 -0.06310 0.00401 -0.04862 0.06542 47 2S -0.20694 0.12604 -0.00653 0.09880 -0.13394 48 2PX 0.01158 0.01279 -0.00191 0.00077 0.01191 49 2PY 0.05074 0.07623 0.00059 0.06230 -0.08454 50 2PZ 0.00457 -0.05687 -0.00505 -0.01327 0.01738 51 3S -0.14961 0.07285 -0.00994 0.07502 -0.09809 52 3PX 0.00587 -0.00393 -0.00028 -0.00553 0.00890 53 3PY 0.00540 0.02419 0.00029 0.01625 -0.03210 54 3PZ -0.00675 0.00813 0.00103 0.01113 -0.01445 55 4XX 0.00960 -0.00422 0.00026 -0.00311 0.00407 56 4YY -0.00497 -0.00622 0.00001 -0.00454 0.00598 57 4ZZ 0.00307 0.00540 0.00065 0.00167 -0.00265 58 4XY 0.00112 0.00055 0.00029 -0.00066 0.00208 59 4XZ 0.00307 -0.00449 0.00056 -0.00307 0.00269 60 4YZ -0.00148 -0.00491 0.00012 -0.00014 0.00035 61 5 H 1S -0.06029 -0.03698 -0.00390 -0.04643 0.06513 62 2S -0.01165 -0.00208 -0.00250 -0.01548 0.01996 63 6 H 1S -0.06029 0.03699 -0.00391 0.04644 -0.06512 64 2S -0.01165 0.00209 -0.00250 0.01548 -0.01996 65 7 C 1S 0.00173 0.01292 -0.06742 -0.08879 -0.04466 66 2S -0.00363 -0.02434 0.13622 0.18350 0.09061 67 2PX 0.00412 -0.01291 0.08223 -0.01902 -0.01226 68 2PY -0.00112 0.01631 0.14876 -0.12273 -0.06131 69 2PZ -0.00958 -0.00039 -0.09433 -0.01959 0.00101 70 3S -0.00389 -0.03257 0.12084 0.17228 0.10120 71 3PX 0.00272 -0.00415 0.02111 0.01075 -0.00589 72 3PY 0.00055 -0.00231 0.02743 -0.02806 -0.01121 73 3PZ -0.00227 -0.00541 -0.02662 -0.01792 0.00348 74 4XX 0.00085 0.00051 -0.01165 -0.00358 -0.00222 75 4YY -0.00005 0.00106 0.00676 -0.00672 -0.00337 76 4ZZ -0.00072 0.00001 -0.00618 0.00038 0.00093 77 4XY -0.00031 0.00114 -0.00834 0.00291 0.00202 78 4XZ -0.00024 -0.00031 0.00654 -0.00768 -0.00380 79 4YZ 0.00009 -0.00037 0.00738 0.00401 0.00079 80 8 C 1S 0.00173 -0.01290 -0.06745 0.08878 0.04466 81 2S -0.00363 0.02429 0.13627 -0.18347 -0.09061 82 2PX 0.00413 0.01293 0.08223 0.01903 0.01226 83 2PY 0.00113 0.01632 -0.14870 -0.12277 -0.06130 84 2PZ -0.00958 0.00039 -0.09436 0.01955 -0.00104 85 3S -0.00388 0.03254 0.12089 -0.17226 -0.10120 86 3PX 0.00273 0.00415 0.02111 -0.01075 0.00589 87 3PY -0.00055 -0.00231 -0.02742 -0.02807 -0.01121 88 3PZ -0.00227 0.00542 -0.02663 0.01791 -0.00349 89 4XX 0.00085 -0.00050 -0.01165 0.00358 0.00222 90 4YY -0.00005 -0.00106 0.00676 0.00672 0.00337 91 4ZZ -0.00072 -0.00001 -0.00619 -0.00038 -0.00093 92 4XY 0.00031 0.00114 0.00834 0.00291 0.00202 93 4XZ -0.00024 0.00031 0.00654 0.00768 0.00380 94 4YZ -0.00009 -0.00037 -0.00738 0.00401 0.00079 95 9 H 1S -0.00368 0.07762 0.00069 0.01221 -0.01479 96 2S -0.00328 0.01834 -0.00130 0.00154 -0.00673 97 10 H 1S -0.00369 -0.07761 0.00070 -0.01225 0.01476 98 2S -0.00328 -0.01834 -0.00130 -0.00156 0.00672 99 11 C 1S -0.11055 -0.06888 0.01225 0.03344 -0.09300 100 2S 0.21313 0.13377 -0.02382 -0.06900 0.18806 101 2PX 0.01341 -0.02895 -0.01597 -0.00116 0.01618 102 2PY -0.03717 0.06702 0.00485 -0.03420 0.09435 103 2PZ -0.01863 0.03269 -0.00232 0.01853 -0.01660 104 3S 0.18638 0.10957 -0.02841 -0.05894 0.18497 105 3PX 0.00303 -0.00106 -0.00733 -0.00236 0.00799 106 3PY -0.00609 0.01619 -0.00043 -0.01299 0.03919 107 3PZ -0.00681 0.00447 -0.00204 0.00842 -0.01283 108 4XX -0.00239 0.00240 0.00072 -0.00102 0.00229 109 4YY 0.00371 -0.00769 -0.00059 0.00376 -0.01032 110 4ZZ -0.00301 0.00348 0.00014 -0.00023 0.00213 111 4XY 0.00093 -0.00241 -0.00011 -0.00031 0.00187 112 4XZ 0.00305 -0.00336 -0.00019 -0.00216 0.00333 113 4YZ -0.00125 0.00256 0.00009 0.00181 -0.00215 114 12 H 1S 0.07128 0.04459 -0.00441 -0.04071 0.09026 115 2S 0.01671 0.01068 0.00244 -0.01917 0.03183 116 13 H 1S 0.06862 0.04510 -0.01416 -0.02897 0.08867 117 2S 0.01635 0.00859 -0.00340 -0.01111 0.03291 118 14 C 1S -0.11054 0.06890 0.01226 -0.03346 0.09299 119 2S 0.21311 -0.13380 -0.02383 0.06903 -0.18804 120 2PX 0.01340 0.02893 -0.01597 0.00120 -0.01619 121 2PY 0.03718 0.06703 -0.00486 -0.03416 0.09435 122 2PZ -0.01862 -0.03267 -0.00231 -0.01855 0.01661 123 3S 0.18637 -0.10959 -0.02841 0.05897 -0.18495 124 3PX 0.00303 0.00106 -0.00733 0.00237 -0.00800 125 3PY 0.00610 0.01619 0.00043 -0.01298 0.03919 126 3PZ -0.00680 -0.00447 -0.00204 -0.00843 0.01284 127 4XX -0.00239 -0.00240 0.00072 0.00102 -0.00229 128 4YY 0.00372 0.00769 -0.00059 -0.00376 0.01032 129 4ZZ -0.00301 -0.00347 0.00014 0.00023 -0.00214 130 4XY -0.00093 -0.00242 0.00011 -0.00031 0.00186 131 4XZ 0.00305 0.00336 -0.00019 0.00216 -0.00333 132 4YZ 0.00125 0.00256 -0.00009 0.00181 -0.00215 133 15 H 1S 0.07127 -0.04460 -0.00442 0.04072 -0.09025 134 2S 0.01671 -0.01068 0.00244 0.01918 -0.03182 135 16 H 1S 0.06861 -0.04511 -0.01416 0.02899 -0.08866 136 2S 0.01635 -0.00859 -0.00340 0.01112 -0.03290 137 17 H 1S 0.00350 0.01586 0.05609 -0.11157 -0.04920 138 2S 0.00438 0.00904 0.01647 -0.04736 -0.01832 139 18 H 1S 0.00349 -0.01588 0.05606 0.11158 0.04921 140 2S 0.00438 -0.00904 0.01646 0.04736 0.01833 141 19 O 1S -0.00040 -0.00740 0.06976 0.02370 0.01380 142 2S 0.00086 0.01624 -0.16285 -0.05600 -0.03054 143 2PX -0.01219 -0.01779 -0.10124 0.18296 0.10660 144 2PY 0.00340 0.00707 0.08531 -0.05078 -0.02937 145 2PZ 0.00148 0.00515 0.04051 -0.12325 -0.06153 146 3S 0.00176 0.02375 -0.21439 -0.06874 -0.05001 147 3PX -0.00513 -0.00622 -0.04074 0.08568 0.04697 148 3PY 0.00171 0.00426 0.04646 -0.02026 -0.01404 149 3PZ -0.00045 0.00187 0.01497 -0.06015 -0.02612 150 4XX -0.00036 -0.00108 0.00066 0.00273 0.00226 151 4YY 0.00037 0.00002 0.00964 -0.00354 -0.00124 152 4ZZ -0.00016 -0.00088 -0.00013 0.00463 0.00291 153 4XY -0.00100 -0.00056 -0.00459 0.00759 0.00414 154 4XZ -0.00018 0.00028 -0.00005 -0.00575 -0.00242 155 4YZ 0.00006 0.00012 -0.00057 -0.00442 -0.00205 156 20 O 1S -0.00040 0.00740 0.06977 -0.02368 -0.01380 157 2S 0.00086 -0.01624 -0.16286 0.05596 0.03054 158 2PX -0.01218 0.01776 -0.10118 -0.18298 -0.10661 159 2PY -0.00340 0.00706 -0.08531 -0.05084 -0.02938 160 2PZ 0.00147 -0.00512 0.04046 0.12323 0.06152 161 3S 0.00176 -0.02376 -0.21440 0.06869 0.05002 162 3PX -0.00513 0.00620 -0.04071 -0.08569 -0.04697 163 3PY -0.00170 0.00426 -0.04646 -0.02029 -0.01405 164 3PZ -0.00045 -0.00186 0.01495 0.06014 0.02612 165 4XX -0.00036 0.00108 0.00066 -0.00274 -0.00227 166 4YY 0.00037 -0.00002 0.00964 0.00355 0.00124 167 4ZZ -0.00016 0.00088 -0.00013 -0.00463 -0.00291 168 4XY 0.00100 -0.00056 0.00459 0.00759 0.00414 169 4XZ -0.00018 -0.00028 -0.00005 0.00575 0.00242 170 4YZ -0.00006 0.00011 0.00058 -0.00442 -0.00205 171 21 C 1S -0.00900 -0.00001 -0.12550 -0.00002 -0.00001 172 2S 0.01867 0.00003 0.26474 0.00004 0.00001 173 2PX -0.00190 0.00000 -0.08973 -0.00003 -0.00001 174 2PY 0.00000 -0.02033 -0.00003 0.19081 0.10827 175 2PZ -0.00114 0.00000 0.02931 0.00003 0.00001 176 3S 0.01546 0.00002 0.24903 0.00004 0.00001 177 3PX -0.00179 0.00000 -0.03687 -0.00001 0.00000 178 3PY 0.00000 -0.00352 -0.00001 0.04999 0.02928 179 3PZ -0.00125 0.00000 0.00544 0.00001 0.00000 180 4XX -0.00069 0.00000 -0.00319 0.00000 0.00000 181 4YY 0.00018 0.00000 -0.01318 0.00000 0.00000 182 4ZZ -0.00018 0.00000 0.00619 0.00000 0.00000 183 4XY 0.00000 -0.00231 0.00000 0.01683 0.00938 184 4XZ -0.00006 0.00000 0.00308 0.00000 0.00000 185 4YZ 0.00000 0.00097 0.00000 -0.00345 -0.00232 186 22 H 1S 0.00563 0.00001 0.11789 0.00003 0.00001 187 2S 0.00069 0.00000 0.03919 0.00001 0.00000 188 23 H 1S 0.00636 0.00001 0.11737 0.00002 0.00001 189 2S 0.00074 0.00000 0.03372 0.00001 0.00000 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 0.05846 -0.01090 0.00234 0.00660 -0.06596 2 2S -0.11866 0.02267 -0.00931 -0.01361 0.13624 3 2PX 0.03664 -0.02237 -0.04197 0.07602 -0.03237 4 2PY -0.13438 0.00829 -0.00189 0.11885 -0.07723 5 2PZ -0.11862 0.05577 0.02876 -0.16565 0.08020 6 3S -0.10308 0.02504 0.00651 -0.02695 0.13748 7 3PX 0.01229 -0.00564 -0.02136 0.02401 -0.01680 8 3PY -0.03056 0.00051 0.00086 0.03599 -0.02320 9 3PZ -0.03833 0.01641 0.00091 -0.05351 0.04403 10 4XX 0.00366 -0.00084 0.00057 -0.00135 -0.00217 11 4YY -0.00402 0.00138 -0.00071 -0.00242 -0.00884 12 4ZZ 0.00655 -0.00074 0.00002 -0.00106 0.00152 13 4XY -0.00205 0.00071 -0.00017 -0.00033 0.00428 14 4XZ 0.00165 -0.00084 0.00177 0.00235 -0.00539 15 4YZ 0.00623 -0.00036 -0.00056 -0.00215 -0.01050 16 2 C 1S -0.10190 0.01259 0.00927 0.00853 0.05985 17 2S 0.20613 -0.02572 -0.01814 -0.01988 -0.12489 18 2PX -0.00489 -0.01667 -0.03678 0.02440 0.01421 19 2PY -0.07417 -0.02936 -0.01531 0.20214 0.11459 20 2PZ -0.00523 -0.01584 -0.02812 0.00687 0.07700 21 3S 0.19023 -0.02821 -0.02649 -0.02166 -0.13288 22 3PX -0.00390 -0.01203 -0.01482 0.00523 0.00404 23 3PY -0.03168 -0.01518 -0.01009 0.08185 0.04978 24 3PZ -0.01129 -0.00518 -0.00890 -0.00106 0.04249 25 4XX -0.00824 0.00105 0.00208 0.00014 0.00658 26 4YY 0.00398 -0.00035 0.00028 -0.00246 -0.01070 27 4ZZ -0.00814 0.00227 0.00144 -0.00172 0.01136 28 4XY 0.00177 -0.00014 -0.00179 0.00068 -0.00208 29 4XZ 0.00022 0.00117 0.00056 0.00175 -0.00372 30 4YZ -0.00057 -0.00018 -0.00157 0.00197 0.00131 31 3 C 1S -0.10191 0.01259 0.00927 0.00853 -0.05985 32 2S 0.20613 -0.02571 -0.01813 -0.01988 0.12489 33 2PX -0.00490 -0.01669 -0.03679 0.02444 -0.01423 34 2PY 0.07417 0.02937 0.01532 -0.20212 0.11461 35 2PZ -0.00522 -0.01583 -0.02813 0.00682 -0.07697 36 3S 0.19023 -0.02821 -0.02650 -0.02165 0.13288 37 3PX -0.00391 -0.01203 -0.01483 0.00525 -0.00405 38 3PY 0.03168 0.01518 0.01010 -0.08185 0.04979 39 3PZ -0.01128 -0.00518 -0.00890 -0.00108 -0.04248 40 4XX -0.00824 0.00105 0.00208 0.00014 -0.00658 41 4YY 0.00398 -0.00035 0.00028 -0.00246 0.01070 42 4ZZ -0.00814 0.00227 0.00144 -0.00172 -0.01136 43 4XY -0.00177 0.00014 0.00179 -0.00068 -0.00208 44 4XZ 0.00022 0.00117 0.00057 0.00175 0.00372 45 4YZ 0.00058 0.00018 0.00157 -0.00197 0.00131 46 4 C 1S 0.05845 -0.01090 0.00235 0.00660 0.06596 47 2S -0.11866 0.02267 -0.00933 -0.01362 -0.13624 48 2PX 0.03661 -0.02237 -0.04197 0.07604 0.03238 49 2PY 0.13441 -0.00830 0.00187 -0.11881 -0.07720 50 2PZ -0.11859 0.05576 0.02876 -0.16568 -0.08021 51 3S -0.10307 0.02504 0.00650 -0.02697 -0.13748 52 3PX 0.01229 -0.00563 -0.02135 0.02401 0.01681 53 3PY 0.03057 -0.00052 -0.00087 -0.03598 -0.02318 54 3PZ -0.03833 0.01641 0.00090 -0.05352 -0.04403 55 4XX 0.00366 -0.00084 0.00057 -0.00135 0.00217 56 4YY -0.00402 0.00138 -0.00071 -0.00242 0.00884 57 4ZZ 0.00655 -0.00074 0.00002 -0.00106 -0.00152 58 4XY 0.00205 -0.00071 0.00017 0.00033 0.00428 59 4XZ 0.00165 -0.00084 0.00177 0.00235 0.00539 60 4YZ -0.00623 0.00036 0.00056 0.00215 -0.01050 61 5 H 1S -0.06479 0.03302 0.01754 -0.11823 0.12807 62 2S -0.02650 0.02056 0.01784 -0.07923 0.07733 63 6 H 1S -0.06479 0.03302 0.01753 -0.11824 -0.12807 64 2S -0.02650 0.02056 0.01784 -0.07923 -0.07733 65 7 C 1S 0.00879 -0.00678 -0.00869 -0.00118 0.00727 66 2S -0.01982 0.01227 0.01791 0.00210 -0.01256 67 2PX 0.02564 0.05775 0.10463 0.03583 -0.06160 68 2PY -0.04661 -0.21741 0.01421 -0.03979 0.01432 69 2PZ 0.00647 -0.13486 0.04024 -0.00953 0.05800 70 3S -0.00689 0.03720 0.02141 0.00964 -0.02717 71 3PX 0.00770 0.01420 0.04871 0.01171 -0.01897 72 3PY -0.01444 -0.06584 0.00112 -0.01151 0.00622 73 3PZ 0.00646 -0.04205 0.02314 -0.00170 0.00903 74 4XX 0.00114 -0.00186 -0.01051 -0.00124 0.00206 75 4YY -0.00083 0.00060 0.00177 -0.00001 -0.00143 76 4ZZ 0.00139 0.00465 0.00661 0.00176 -0.00026 77 4XY 0.00099 0.00713 0.00139 0.00408 0.00666 78 4XZ 0.00105 0.00106 -0.00002 0.00121 -0.00358 79 4YZ -0.00077 -0.00165 0.00161 0.00003 -0.00633 80 8 C 1S 0.00883 -0.00677 -0.00869 -0.00119 -0.00727 81 2S -0.01989 0.01227 0.01791 0.00210 0.01256 82 2PX 0.02566 0.05775 0.10464 0.03582 0.06157 83 2PY 0.04656 0.21744 -0.01422 0.03980 0.01433 84 2PZ 0.00649 -0.13480 0.04022 -0.00951 -0.05794 85 3S -0.00696 0.03719 0.02143 0.00965 0.02717 86 3PX 0.00770 0.01421 0.04871 0.01171 0.01896 87 3PY 0.01443 0.06585 -0.00113 0.01151 0.00623 88 3PZ 0.00648 -0.04205 0.02314 -0.00170 -0.00901 89 4XX 0.00114 -0.00186 -0.01051 -0.00124 -0.00206 90 4YY -0.00083 0.00059 0.00177 -0.00001 0.00143 91 4ZZ 0.00139 0.00466 0.00661 0.00176 0.00026 92 4XY -0.00099 -0.00714 -0.00139 -0.00409 0.00666 93 4XZ 0.00105 0.00106 -0.00002 0.00121 0.00358 94 4YZ 0.00077 0.00165 -0.00162 -0.00003 -0.00633 95 9 H 1S 0.11594 0.00615 0.00305 -0.11393 0.12717 96 2S 0.05033 0.00714 0.00333 -0.06906 0.07882 97 10 H 1S 0.11594 0.00613 0.00305 -0.11394 -0.12717 98 2S 0.05033 0.00713 0.00333 -0.06907 -0.07882 99 11 C 1S 0.04069 -0.00054 -0.00047 0.00253 0.04567 100 2S -0.08231 0.00015 0.00105 -0.00468 -0.09251 101 2PX -0.08042 -0.00161 -0.02414 -0.06514 -0.09589 102 2PY 0.07813 0.00868 0.00004 -0.09214 -0.03430 103 2PZ 0.07205 -0.04597 -0.05558 0.09589 0.05654 104 3S -0.08200 0.00457 0.00441 -0.01097 -0.12495 105 3PX -0.02709 -0.00453 -0.01237 -0.02438 -0.04122 106 3PY 0.02368 0.00287 0.00031 -0.03841 -0.01622 107 3PZ 0.02414 -0.01339 -0.02143 0.03972 0.02436 108 4XX 0.00245 -0.00037 -0.00037 -0.00149 -0.00161 109 4YY -0.00227 -0.00009 0.00018 -0.00060 0.00757 110 4ZZ 0.00247 0.00067 0.00084 -0.00205 -0.00237 111 4XY -0.00348 -0.00053 -0.00023 0.00268 -0.00844 112 4XZ -0.00679 0.00193 0.00111 -0.00537 -0.00582 113 4YZ 0.00369 -0.00018 -0.00057 -0.00210 0.00562 114 12 H 1S -0.04273 0.02717 0.03106 -0.06039 -0.06687 115 2S -0.02046 0.02295 0.02213 -0.03980 -0.03628 116 13 H 1S -0.04628 -0.00435 -0.01780 -0.03888 -0.08954 117 2S -0.02120 -0.00131 -0.01086 -0.02752 -0.05310 118 14 C 1S 0.04070 -0.00055 -0.00047 0.00253 -0.04567 119 2S -0.08232 0.00017 0.00106 -0.00467 0.09251 120 2PX -0.08041 -0.00160 -0.02413 -0.06516 0.09593 121 2PY -0.07816 -0.00869 -0.00004 0.09210 -0.03427 122 2PZ 0.07204 -0.04597 -0.05558 0.09590 -0.05652 123 3S -0.08201 0.00459 0.00442 -0.01096 0.12495 124 3PX -0.02709 -0.00453 -0.01236 -0.02439 0.04123 125 3PY -0.02369 -0.00287 -0.00031 0.03840 -0.01620 126 3PZ 0.02413 -0.01340 -0.02143 0.03973 -0.02435 127 4XX 0.00245 -0.00037 -0.00037 -0.00148 0.00162 128 4YY -0.00226 -0.00009 0.00018 -0.00060 -0.00757 129 4ZZ 0.00247 0.00067 0.00084 -0.00205 0.00237 130 4XY 0.00348 0.00053 0.00023 -0.00268 -0.00844 131 4XZ -0.00679 0.00193 0.00111 -0.00538 0.00582 132 4YZ -0.00369 0.00018 0.00057 0.00210 0.00562 133 15 H 1S -0.04273 0.02717 0.03106 -0.06039 0.06686 134 2S -0.02045 0.02295 0.02213 -0.03980 0.03627 135 16 H 1S -0.04629 -0.00434 -0.01779 -0.03887 0.08955 136 2S -0.02120 -0.00130 -0.01086 -0.02751 0.05311 137 17 H 1S 0.00731 0.12868 0.00789 0.01869 0.05126 138 2S 0.00509 0.08379 0.00862 0.00894 0.04018 139 18 H 1S 0.00736 0.12868 0.00788 0.01869 -0.05129 140 2S 0.00511 0.08380 0.00862 0.00894 -0.04020 141 19 O 1S -0.00714 -0.03099 -0.01201 -0.01354 -0.00506 142 2S 0.01759 0.07135 0.02257 0.03028 0.01041 143 2PX -0.00048 -0.02472 0.07652 0.00499 0.09819 144 2PY -0.02709 -0.20564 -0.02753 -0.06724 -0.01473 145 2PZ 0.01268 -0.03922 0.21119 0.02036 -0.04801 146 3S 0.01960 0.10268 0.05791 0.05108 0.02820 147 3PX -0.00317 -0.02180 0.04777 -0.00033 0.05228 148 3PY -0.01601 -0.12146 -0.01153 -0.03848 -0.00480 149 3PZ 0.00769 -0.01900 0.11917 0.01123 -0.02385 150 4XX 0.00185 0.00787 0.00095 0.00238 -0.00099 151 4YY -0.00183 -0.01783 -0.00217 -0.00564 -0.00138 152 4ZZ 0.00042 0.00773 -0.00410 0.00093 -0.00028 153 4XY -0.00171 -0.00925 0.00574 -0.00109 0.00433 154 4XZ -0.00006 -0.00312 -0.00350 -0.00141 -0.00055 155 4YZ 0.00200 0.00441 0.01510 0.00349 -0.00187 156 20 O 1S -0.00715 -0.03099 -0.01201 -0.01354 0.00507 157 2S 0.01761 0.07135 0.02256 0.03027 -0.01044 158 2PX -0.00056 -0.02470 0.07647 0.00501 -0.09814 159 2PY 0.02707 0.20563 0.02747 0.06723 -0.01475 160 2PZ 0.01274 -0.03918 0.21117 0.02035 0.04796 161 3S 0.01962 0.10269 0.05789 0.05108 -0.02824 162 3PX -0.00320 -0.02179 0.04774 -0.00032 -0.05226 163 3PY 0.01599 0.12145 0.01150 0.03847 -0.00481 164 3PZ 0.00773 -0.01898 0.11916 0.01122 0.02383 165 4XX 0.00184 0.00787 0.00095 0.00238 0.00100 166 4YY -0.00183 -0.01783 -0.00217 -0.00563 0.00138 167 4ZZ 0.00041 0.00772 -0.00411 0.00093 0.00028 168 4XY 0.00171 0.00925 -0.00574 0.00109 0.00433 169 4XZ -0.00005 -0.00311 -0.00350 -0.00141 0.00056 170 4YZ -0.00200 -0.00442 -0.01510 -0.00349 -0.00187 171 21 C 1S -0.00169 -0.00800 0.00616 0.00293 -0.00001 172 2S 0.00472 0.01625 -0.01169 -0.00568 0.00001 173 2PX -0.01516 -0.20376 0.11762 -0.04155 -0.00004 174 2PY 0.00004 -0.00002 -0.00002 -0.00002 0.09020 175 2PZ 0.01694 0.04305 0.34136 0.05979 0.00001 176 3S 0.00453 0.03588 -0.02017 -0.00546 0.00002 177 3PX -0.00585 -0.06427 0.04599 -0.01732 -0.00001 178 3PY 0.00001 -0.00001 -0.00001 -0.00001 0.03621 179 3PZ 0.00686 0.01506 0.14605 0.02871 0.00000 180 4XX -0.00153 -0.01013 -0.00514 -0.00337 0.00000 181 4YY 0.00064 -0.00082 0.00162 0.00071 0.00000 182 4ZZ 0.00033 0.00858 0.00265 0.00255 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00457 184 4XZ 0.00153 0.01017 -0.00345 0.00243 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00103 186 22 H 1S 0.00991 0.05255 0.14690 0.03193 0.00001 187 2S 0.00325 0.03540 0.09047 0.01695 0.00001 188 23 H 1S 0.00258 0.07563 -0.15173 -0.00258 0.00002 189 2S 0.00192 0.05463 -0.09215 0.00222 0.00002 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 0.00263 0.02760 -0.00239 -0.00474 -0.00868 2 2S -0.00831 -0.05881 0.00483 0.00976 0.02299 3 2PX 0.02553 0.02539 0.03926 0.00436 0.08808 4 2PY -0.06127 0.03368 -0.00963 -0.19368 0.01387 5 2PZ -0.00837 -0.04836 0.01797 -0.17670 -0.17988 6 3S -0.00202 -0.06823 0.00678 0.01262 0.02900 7 3PX 0.01168 0.00263 0.02087 -0.00357 0.02637 8 3PY -0.01739 0.01953 -0.00208 -0.07021 0.03523 9 3PZ -0.00441 -0.01266 0.00707 -0.06671 -0.03024 10 4XX 0.00169 0.00125 0.00048 -0.00201 -0.00013 11 4YY -0.00107 0.00304 0.00031 -0.00312 -0.00826 12 4ZZ -0.00047 -0.00162 -0.00092 0.00348 0.00319 13 4XY 0.00028 -0.00283 0.00067 -0.00043 -0.00635 14 4XZ -0.00142 0.00227 -0.00273 0.00258 -0.00098 15 4YZ 0.00131 0.00534 0.00071 0.00129 0.01035 16 2 C 1S 0.00339 -0.02704 -0.00009 0.00108 -0.02666 17 2S -0.00575 0.05462 0.00167 -0.00168 0.06290 18 2PX 0.02755 0.02379 0.05386 -0.14844 0.07349 19 2PY -0.02372 -0.03899 -0.01059 0.03111 0.26786 20 2PZ 0.07848 -0.01320 0.02384 0.23028 0.06607 21 3S -0.01476 0.07821 -0.00695 -0.01373 0.08740 22 3PX 0.01388 0.00671 0.02310 -0.05358 0.02930 23 3PY -0.01521 -0.00840 -0.01334 0.00546 0.07494 24 3PZ 0.03216 0.00701 0.01205 0.07457 0.03260 25 4XX 0.00548 -0.00123 0.00108 -0.00397 0.00213 26 4YY -0.00120 0.00413 -0.00074 -0.00235 -0.01220 27 4ZZ -0.00333 -0.00633 -0.00121 0.00492 0.00201 28 4XY 0.00146 0.00120 0.00204 -0.00381 0.00061 29 4XZ 0.00088 -0.00059 0.00109 0.00210 -0.00072 30 4YZ 0.00202 0.00009 0.00107 0.00380 0.00285 31 3 C 1S 0.00338 0.02705 -0.00008 0.00108 0.02666 32 2S -0.00573 -0.05463 0.00164 -0.00168 -0.06291 33 2PX 0.02756 -0.02378 0.05384 -0.14843 -0.07356 34 2PY 0.02373 -0.03899 0.01061 -0.03120 0.26785 35 2PZ 0.07849 0.01321 0.02383 0.23027 -0.06600 36 3S -0.01473 -0.07822 -0.00700 -0.01373 -0.08740 37 3PX 0.01388 -0.00670 0.02309 -0.05358 -0.02932 38 3PY 0.01521 -0.00840 0.01335 -0.00548 0.07495 39 3PZ 0.03217 -0.00701 0.01204 0.07457 -0.03258 40 4XX 0.00549 0.00124 0.00108 -0.00397 -0.00213 41 4YY -0.00119 -0.00413 -0.00074 -0.00235 0.01220 42 4ZZ -0.00334 0.00633 -0.00121 0.00492 -0.00201 43 4XY -0.00146 0.00120 -0.00204 0.00381 0.00061 44 4XZ 0.00088 0.00060 0.00109 0.00210 0.00072 45 4YZ -0.00202 0.00008 -0.00107 -0.00380 0.00285 46 4 C 1S 0.00264 -0.02760 -0.00240 -0.00474 0.00868 47 2S -0.00834 0.05880 0.00486 0.00977 -0.02298 48 2PX 0.02553 -0.02540 0.03924 0.00432 -0.08807 49 2PY 0.06126 0.03367 0.00965 0.19372 0.01380 50 2PZ -0.00837 0.04836 0.01801 -0.17666 0.17986 51 3S -0.00205 0.06823 0.00682 0.01263 -0.02899 52 3PX 0.01168 -0.00264 0.02087 -0.00358 -0.02637 53 3PY 0.01739 0.01953 0.00210 0.07022 0.03521 54 3PZ -0.00441 0.01266 0.00708 -0.06669 0.03024 55 4XX 0.00169 -0.00125 0.00048 -0.00201 0.00013 56 4YY -0.00107 -0.00304 0.00031 -0.00312 0.00826 57 4ZZ -0.00047 0.00162 -0.00092 0.00348 -0.00319 58 4XY -0.00028 -0.00282 -0.00068 0.00043 -0.00635 59 4XZ -0.00142 -0.00227 -0.00274 0.00258 0.00098 60 4YZ -0.00131 0.00533 -0.00071 -0.00129 0.01036 61 5 H 1S 0.00457 -0.06595 0.00439 -0.02100 -0.10618 62 2S 0.00668 -0.04509 0.00459 -0.02019 -0.10361 63 6 H 1S 0.00455 0.06595 0.00443 -0.02100 0.10616 64 2S 0.00666 0.04509 0.00462 -0.02018 0.10360 65 7 C 1S -0.01976 0.03907 0.00121 0.00037 -0.01173 66 2S 0.04491 -0.07671 -0.00595 -0.00410 0.01812 67 2PX -0.06113 -0.11939 0.07441 0.03506 -0.00410 68 2PY -0.00031 0.06443 0.00057 0.01627 -0.00911 69 2PZ 0.05032 0.19279 -0.20301 -0.02439 -0.02227 70 3S 0.05325 -0.13101 -0.00427 0.00471 0.08513 71 3PX -0.02731 -0.03242 0.01622 0.01109 -0.00799 72 3PY -0.00925 -0.00144 0.00220 0.00684 0.02886 73 3PZ 0.01708 0.05476 -0.07786 -0.00588 -0.00029 74 4XX -0.00564 0.00750 -0.00364 -0.00229 0.00063 75 4YY 0.00143 -0.00156 0.00209 0.00056 -0.00204 76 4ZZ -0.00053 -0.00159 0.00341 0.00105 -0.00098 77 4XY 0.00289 0.01268 -0.00594 0.00017 0.00031 78 4XZ -0.00215 -0.00508 0.00267 0.00240 -0.00031 79 4YZ -0.00247 -0.02117 0.00407 0.00022 0.00355 80 8 C 1S -0.01974 -0.03908 0.00118 0.00036 0.01173 81 2S 0.04487 0.07673 -0.00590 -0.00409 -0.01813 82 2PX -0.06126 0.11926 0.07451 0.03509 0.00407 83 2PY 0.00026 0.06448 -0.00047 -0.01625 -0.00905 84 2PZ 0.05048 -0.19259 -0.20319 -0.02442 0.02228 85 3S 0.05318 0.13104 -0.00419 0.00473 -0.08514 86 3PX -0.02735 0.03238 0.01625 0.01109 0.00798 87 3PY 0.00924 -0.00142 -0.00217 -0.00685 0.02887 88 3PZ 0.01714 -0.05470 -0.07791 -0.00589 0.00031 89 4XX -0.00564 -0.00750 -0.00365 -0.00229 -0.00063 90 4YY 0.00143 0.00156 0.00209 0.00056 0.00203 91 4ZZ -0.00053 0.00158 0.00341 0.00105 0.00098 92 4XY -0.00290 0.01267 0.00595 -0.00017 0.00031 93 4XZ -0.00216 0.00508 0.00268 0.00240 0.00030 94 4YZ 0.00248 -0.02116 -0.00409 -0.00023 0.00355 95 9 H 1S 0.00527 -0.04743 0.00170 -0.01723 0.14877 96 2S 0.00399 -0.03229 -0.00269 -0.01648 0.15129 97 10 H 1S 0.00525 0.04743 0.00171 -0.01723 -0.14877 98 2S 0.00397 0.03228 -0.00269 -0.01648 -0.15130 99 11 C 1S -0.00079 -0.00722 0.00408 0.00367 0.00875 100 2S 0.00133 0.01265 -0.00954 -0.00882 -0.01490 101 2PX 0.20972 0.00656 0.09189 0.11209 0.02583 102 2PY -0.00034 0.00190 0.02190 -0.13293 0.01534 103 2PZ 0.13921 -0.05266 0.10835 -0.16394 -0.14478 104 3S 0.00479 0.02627 -0.00949 -0.02054 -0.06318 105 3PX 0.09158 -0.00715 0.03529 0.04793 0.00820 106 3PY 0.00056 -0.00938 0.00667 -0.06656 0.03970 107 3PZ 0.06148 -0.01886 0.05195 -0.07196 -0.06738 108 4XX 0.00866 -0.00046 0.00514 -0.00223 -0.00290 109 4YY 0.00004 -0.00202 -0.00104 0.00154 0.00510 110 4ZZ -0.00720 0.00099 -0.00403 0.00299 -0.00019 111 4XY 0.00157 0.00105 0.00049 0.00198 -0.00143 112 4XZ 0.00239 0.00244 0.00065 0.00408 0.00623 113 4YZ 0.00201 -0.00437 0.00163 -0.00189 -0.00696 114 12 H 1S -0.09805 0.04060 -0.06512 0.05052 0.07715 115 2S -0.07763 0.03792 -0.04254 0.04871 0.06555 116 13 H 1S 0.13168 0.00338 0.06571 0.00962 -0.01169 117 2S 0.09848 0.00533 0.05390 0.01197 -0.00672 118 14 C 1S -0.00078 0.00722 0.00408 0.00367 -0.00875 119 2S 0.00132 -0.01264 -0.00953 -0.00881 0.01489 120 2PX 0.20970 -0.00649 0.09191 0.11206 -0.02584 121 2PY 0.00038 0.00188 -0.02190 0.13299 0.01529 122 2PZ 0.13918 0.05270 0.10839 -0.16391 0.14475 123 3S 0.00479 -0.02626 -0.00948 -0.02053 0.06317 124 3PX 0.09156 0.00719 0.03532 0.04792 -0.00821 125 3PY -0.00053 -0.00938 -0.00668 0.06658 0.03968 126 3PZ 0.06147 0.01887 0.05196 -0.07195 0.06737 127 4XX 0.00866 0.00046 0.00514 -0.00223 0.00291 128 4YY 0.00004 0.00202 -0.00104 0.00154 -0.00510 129 4ZZ -0.00720 -0.00100 -0.00403 0.00299 0.00019 130 4XY -0.00157 0.00105 -0.00049 -0.00198 -0.00143 131 4XZ 0.00239 -0.00244 0.00065 0.00408 -0.00623 132 4YZ -0.00201 -0.00437 -0.00163 0.00189 -0.00696 133 15 H 1S -0.09802 -0.04063 -0.06515 0.05052 -0.07713 134 2S -0.07761 -0.03795 -0.04257 0.04871 -0.06552 135 16 H 1S 0.13166 -0.00334 0.06574 0.00962 0.01169 136 2S 0.09847 -0.00530 0.05391 0.01197 0.00672 137 17 H 1S -0.01770 0.17736 0.09707 0.00891 -0.02030 138 2S -0.02832 0.13966 0.07210 0.00585 -0.01263 139 18 H 1S -0.01757 -0.17745 0.09692 0.00888 0.02031 140 2S -0.02821 -0.13974 0.07198 0.00582 0.01265 141 19 O 1S 0.01027 -0.01715 -0.01853 -0.00591 0.00590 142 2S -0.02379 0.03778 0.04256 0.01226 -0.00927 143 2PX 0.12908 0.22485 -0.19739 -0.04913 -0.02976 144 2PY -0.05488 -0.03587 0.03812 -0.01562 0.03589 145 2PZ -0.02740 -0.06197 0.09751 0.02819 -0.03723 146 3S -0.04573 0.08332 0.07702 0.02610 -0.03742 147 3PX 0.06849 0.11877 -0.10825 -0.02768 -0.02346 148 3PY -0.02778 -0.01195 0.01583 -0.01338 0.01960 149 3PZ -0.00901 -0.02664 0.05156 0.01715 -0.02472 150 4XX 0.00430 -0.00123 -0.00751 -0.00016 0.00020 151 4YY -0.00404 -0.00197 0.00336 -0.00144 0.00256 152 4ZZ 0.00297 -0.00339 -0.00022 -0.00108 0.00230 153 4XY 0.00539 0.00937 -0.00787 -0.00224 -0.00096 154 4XZ -0.00456 -0.00008 0.00245 0.00178 -0.00047 155 4YZ 0.00088 -0.00241 0.00407 0.00080 -0.00167 156 20 O 1S 0.01027 0.01718 -0.01852 -0.00591 -0.00589 157 2S -0.02377 -0.03783 0.04254 0.01225 0.00924 158 2PX 0.12929 -0.22459 -0.19760 -0.04917 0.02980 159 2PY 0.05490 -0.03580 -0.03815 0.01561 0.03581 160 2PZ -0.02747 0.06183 0.09755 0.02821 0.03722 161 3S -0.04570 -0.08340 0.07697 0.02609 0.03736 162 3PX 0.06860 -0.11864 -0.10837 -0.02770 0.02349 163 3PY 0.02779 -0.01192 -0.01584 0.01338 0.01955 164 3PZ -0.00904 0.02658 0.05157 0.01717 0.02471 165 4XX 0.00430 0.00124 -0.00751 -0.00016 -0.00020 166 4YY -0.00404 0.00197 0.00337 -0.00143 -0.00256 167 4ZZ 0.00297 0.00340 -0.00022 -0.00108 -0.00230 168 4XY -0.00539 0.00936 0.00788 0.00225 -0.00096 169 4XZ -0.00456 0.00007 0.00245 0.00178 0.00047 170 4YZ -0.00087 -0.00241 -0.00407 -0.00080 -0.00167 171 21 C 1S -0.01424 -0.00002 0.02213 0.00482 -0.00001 172 2S 0.02956 0.00003 -0.04355 -0.01005 0.00001 173 2PX -0.14655 -0.00018 0.26766 0.01859 0.00002 174 2PY -0.00010 0.19257 0.00009 0.00002 -0.03018 175 2PZ 0.16279 0.00010 -0.02319 -0.04745 0.00000 176 3S 0.03603 0.00005 -0.06235 -0.01052 0.00001 177 3PX -0.05679 -0.00007 0.09989 0.00635 0.00001 178 3PY -0.00005 0.08482 0.00005 0.00001 -0.00597 179 3PZ 0.06678 0.00004 -0.00882 -0.01646 0.00000 180 4XX 0.00216 0.00001 -0.01172 -0.00167 0.00000 181 4YY -0.01758 -0.00002 0.02779 0.00656 0.00000 182 4ZZ 0.01538 0.00001 -0.01590 -0.00455 0.00000 183 4XY 0.00000 0.00857 0.00000 0.00000 -0.00155 184 4XZ 0.00030 0.00000 -0.00579 0.00232 0.00000 185 4YZ 0.00000 -0.00421 0.00000 0.00000 0.00341 186 22 H 1S 0.12955 0.00009 -0.08182 -0.03916 0.00001 187 2S 0.09072 0.00007 -0.05730 -0.03256 0.00000 188 23 H 1S 0.03424 0.00008 -0.14781 0.00072 0.00000 189 2S 0.02397 0.00006 -0.10847 0.00332 0.00000 31 32 33 34 35 O O O O O Eigenvalues -- -0.38848 -0.37953 -0.36269 -0.35121 -0.34582 1 1 C 1S -0.01886 0.00413 0.00775 -0.00531 -0.00793 2 2S 0.04386 -0.00811 -0.00949 0.01312 0.01959 3 2PX 0.07040 0.00823 0.01641 -0.01405 0.12819 4 2PY 0.18936 -0.11935 -0.00620 -0.00273 -0.08251 5 2PZ -0.12417 0.03037 0.05109 -0.00119 0.01027 6 3S 0.06862 -0.01612 -0.08490 0.02831 0.00542 7 3PX 0.02685 0.01342 0.00882 0.00311 0.07369 8 3PY 0.05035 -0.03668 -0.02488 -0.00254 -0.02835 9 3PZ -0.04606 0.01361 0.05041 -0.00500 0.01503 10 4XX -0.00332 0.00156 0.00136 -0.00070 0.00004 11 4YY 0.00574 -0.00241 0.00511 -0.00114 -0.00060 12 4ZZ -0.00860 0.00451 -0.00298 0.00221 -0.00022 13 4XY -0.00132 0.00130 -0.00157 0.00125 0.00261 14 4XZ 0.00520 -0.00401 -0.00151 0.00003 -0.00541 15 4YZ 0.00237 -0.00049 -0.00159 -0.00081 0.00109 16 2 C 1S 0.00040 -0.00306 0.00570 -0.00694 -0.00639 17 2S -0.00152 0.00761 -0.01716 0.01698 0.01793 18 2PX -0.01289 0.01469 0.06014 -0.02591 0.10673 19 2PY -0.02943 0.03147 -0.12611 0.03709 0.02176 20 2PZ 0.03664 0.02875 0.04276 -0.03901 0.07082 21 3S -0.00561 0.00985 0.02464 0.02035 0.00484 22 3PX 0.01382 0.00445 0.05209 -0.01221 0.05845 23 3PY -0.01081 -0.00060 -0.01706 0.00499 0.00418 24 3PZ -0.01707 0.01244 0.03424 -0.03624 0.05151 25 4XX -0.00088 -0.00260 0.00103 -0.00418 -0.00645 26 4YY 0.00270 -0.00227 0.00597 -0.00112 -0.00453 27 4ZZ -0.00052 0.00268 -0.00612 0.00420 0.00654 28 4XY -0.00422 0.00450 0.00171 -0.00075 0.00246 29 4XZ 0.00120 0.00003 0.00079 -0.00185 -0.00081 30 4YZ 0.01047 -0.00385 0.00076 -0.00121 0.00122 31 3 C 1S 0.00040 -0.00306 -0.00569 0.00694 -0.00639 32 2S -0.00151 0.00762 0.01714 -0.01698 0.01795 33 2PX -0.01287 0.01472 -0.06017 0.02592 0.10672 34 2PY 0.02938 -0.03151 -0.12611 0.03709 -0.02179 35 2PZ 0.03667 0.02875 -0.04281 0.03902 0.07079 36 3S -0.00559 0.00986 -0.02465 -0.02036 0.00486 37 3PX 0.01383 0.00446 -0.05211 0.01221 0.05844 38 3PY 0.01081 0.00059 -0.01707 0.00498 -0.00418 39 3PZ -0.01706 0.01244 -0.03426 0.03625 0.05149 40 4XX -0.00089 -0.00260 -0.00103 0.00418 -0.00645 41 4YY 0.00270 -0.00228 -0.00597 0.00112 -0.00453 42 4ZZ -0.00053 0.00268 0.00612 -0.00420 0.00654 43 4XY 0.00422 -0.00450 0.00171 -0.00076 -0.00246 44 4XZ 0.00120 0.00003 -0.00078 0.00185 -0.00081 45 4YZ -0.01047 0.00385 0.00075 -0.00121 -0.00122 46 4 C 1S -0.01886 0.00413 -0.00775 0.00531 -0.00793 47 2S 0.04386 -0.00810 0.00949 -0.01312 0.01959 48 2PX 0.07046 0.00822 -0.01646 0.01407 0.12817 49 2PY -0.18932 0.11935 -0.00624 -0.00274 0.08253 50 2PZ -0.12425 0.03037 -0.05110 0.00120 0.01027 51 3S 0.06862 -0.01610 0.08489 -0.02831 0.00544 52 3PX 0.02686 0.01342 -0.00884 -0.00310 0.07369 53 3PY -0.05034 0.03667 -0.02489 -0.00255 0.02836 54 3PZ -0.04608 0.01360 -0.05042 0.00500 0.01502 55 4XX -0.00332 0.00156 -0.00136 0.00070 0.00004 56 4YY 0.00574 -0.00241 -0.00511 0.00115 -0.00060 57 4ZZ -0.00860 0.00451 0.00298 -0.00221 -0.00022 58 4XY 0.00132 -0.00129 -0.00157 0.00125 -0.00261 59 4XZ 0.00520 -0.00401 0.00151 -0.00003 -0.00542 60 4YZ -0.00236 0.00049 -0.00159 -0.00081 -0.00109 61 5 H 1S -0.12058 0.04950 0.01525 0.01175 0.01044 62 2S -0.11931 0.04874 0.00094 0.00445 0.01304 63 6 H 1S -0.12061 0.04949 -0.01526 -0.01176 0.01043 64 2S -0.11933 0.04872 -0.00095 -0.00445 0.01305 65 7 C 1S 0.00535 0.01143 -0.01224 -0.01539 -0.00448 66 2S -0.01188 -0.02437 0.02568 0.03478 0.01599 67 2PX -0.06320 -0.11949 -0.09581 -0.08546 -0.14540 68 2PY -0.11726 -0.23047 -0.00453 0.02355 0.18100 69 2PZ -0.02584 -0.04968 -0.04146 0.07334 -0.07952 70 3S -0.02482 -0.04560 0.05276 0.07153 0.00436 71 3PX -0.03414 -0.05476 -0.06071 -0.00090 -0.08096 72 3PY -0.02754 -0.05934 0.01998 0.06543 0.05892 73 3PZ -0.00509 -0.02494 -0.02717 0.00322 -0.06469 74 4XX 0.00330 0.00954 0.00703 0.01075 0.00084 75 4YY -0.00438 -0.00880 -0.00349 -0.01019 0.00549 76 4ZZ 0.00385 0.00627 -0.00549 -0.00160 -0.01067 77 4XY -0.00344 -0.00532 0.00403 -0.00057 0.00014 78 4XZ -0.00491 -0.00892 -0.00345 -0.00606 0.00358 79 4YZ 0.00192 0.00362 0.00541 -0.00106 -0.00792 80 8 C 1S 0.00535 0.01142 0.01224 0.01539 -0.00448 81 2S -0.01188 -0.02437 -0.02569 -0.03477 0.01598 82 2PX -0.06321 -0.11949 0.09589 0.08543 -0.14539 83 2PY 0.11727 0.23049 -0.00446 0.02350 -0.18099 84 2PZ -0.02582 -0.04964 0.04152 -0.07336 -0.07953 85 3S -0.02481 -0.04559 -0.05277 -0.07151 0.00432 86 3PX -0.03415 -0.05476 0.06075 0.00088 -0.08093 87 3PY 0.02755 0.05935 0.02000 0.06541 -0.05891 88 3PZ -0.00508 -0.02492 0.02721 -0.00323 -0.06469 89 4XX 0.00330 0.00954 -0.00703 -0.01075 0.00084 90 4YY -0.00438 -0.00880 0.00348 0.01020 0.00548 91 4ZZ 0.00384 0.00627 0.00550 0.00160 -0.01066 92 4XY 0.00344 0.00532 0.00403 -0.00058 -0.00014 93 4XZ -0.00491 -0.00892 0.00345 0.00606 0.00358 94 4YZ -0.00192 -0.00363 0.00541 -0.00105 0.00793 95 9 H 1S 0.02108 -0.01892 -0.07140 0.01554 -0.02344 96 2S 0.02025 -0.02649 -0.07457 0.03199 -0.02579 97 10 H 1S 0.02110 -0.01890 0.07140 -0.01553 -0.02343 98 2S 0.02028 -0.02646 0.07458 -0.03198 -0.02577 99 11 C 1S 0.01875 -0.01128 -0.00689 0.00206 -0.00178 100 2S -0.04059 0.02636 0.00955 -0.00664 0.00152 101 2PX 0.08384 -0.07650 -0.16729 0.14294 -0.08438 102 2PY 0.19851 -0.13943 -0.00468 -0.00123 0.06107 103 2PZ -0.12408 0.02474 -0.11380 0.10277 -0.05866 104 3S -0.07966 0.03238 0.06563 -0.00140 0.01411 105 3PX 0.05122 -0.03445 -0.08256 0.05871 -0.04114 106 3PY 0.08017 -0.06423 -0.02463 0.00647 0.03076 107 3PZ -0.05445 0.01565 -0.03582 0.05106 -0.02360 108 4XX 0.00295 -0.00628 -0.00587 0.00631 -0.00833 109 4YY -0.00641 0.00440 -0.00262 0.00034 -0.00195 110 4ZZ 0.00881 -0.00108 0.00715 -0.00654 0.00993 111 4XY -0.00006 -0.00016 -0.00960 0.00887 -0.00011 112 4XZ 0.00390 -0.00251 -0.00326 0.00188 -0.00152 113 4YZ -0.00093 -0.00023 -0.00929 0.00754 -0.00010 114 12 H 1S 0.09373 -0.02345 0.10134 -0.08848 0.06540 115 2S 0.09644 -0.01926 0.09994 -0.08322 0.06323 116 13 H 1S 0.05305 -0.06150 -0.11857 0.10639 -0.05203 117 2S 0.04643 -0.06011 -0.11147 0.10351 -0.05400 118 14 C 1S 0.01875 -0.01128 0.00689 -0.00207 -0.00178 119 2S -0.04060 0.02636 -0.00956 0.00664 0.00151 120 2PX 0.08388 -0.07653 0.16735 -0.14295 -0.08424 121 2PY -0.19846 0.13940 -0.00466 -0.00122 -0.06108 122 2PZ -0.12416 0.02474 0.11383 -0.10278 -0.05860 123 3S -0.07967 0.03237 -0.06564 0.00141 0.01408 124 3PX 0.05124 -0.03446 0.08259 -0.05872 -0.04108 125 3PY -0.08015 0.06420 -0.02461 0.00648 -0.03077 126 3PZ -0.05448 0.01565 0.03583 -0.05106 -0.02358 127 4XX 0.00294 -0.00628 0.00588 -0.00631 -0.00833 128 4YY -0.00641 0.00440 0.00262 -0.00033 -0.00195 129 4ZZ 0.00881 -0.00108 -0.00715 0.00655 0.00992 130 4XY 0.00007 0.00015 -0.00960 0.00887 0.00010 131 4XZ 0.00390 -0.00251 0.00326 -0.00188 -0.00152 132 4YZ 0.00093 0.00023 -0.00929 0.00753 0.00009 133 15 H 1S 0.09377 -0.02344 -0.10137 0.08848 0.06533 134 2S 0.09647 -0.01925 -0.09996 0.08321 0.06316 135 16 H 1S 0.05303 -0.06150 0.11861 -0.10641 -0.05194 136 2S 0.04641 -0.06011 0.11151 -0.10352 -0.05391 137 17 H 1S 0.04803 0.08531 -0.01205 0.03996 -0.06526 138 2S 0.05593 0.08498 -0.00476 0.03841 -0.07198 139 18 H 1S 0.04803 0.08530 0.01207 -0.03998 -0.06525 140 2S 0.05593 0.08498 0.00478 -0.03844 -0.07197 141 19 O 1S 0.02072 0.03799 0.01957 0.03006 -0.01776 142 2S -0.04032 -0.07513 -0.03671 -0.06081 0.03510 143 2PX 0.05048 0.09538 -0.08877 0.02274 -0.07143 144 2PY 0.10217 0.19220 0.14289 0.33769 -0.12040 145 2PZ -0.04932 -0.11010 -0.22318 -0.13253 -0.10202 146 3S -0.10025 -0.17953 -0.09451 -0.10692 0.08847 147 3PX 0.03131 0.06238 -0.06560 0.01543 -0.05534 148 3PY 0.06380 0.12126 0.09057 0.22434 -0.07443 149 3PZ -0.02974 -0.06854 -0.14872 -0.09403 -0.06642 150 4XX -0.00132 -0.00310 -0.00290 -0.00206 -0.00656 151 4YY 0.00801 0.01402 0.00757 0.01586 -0.00857 152 4ZZ 0.00360 0.00685 0.00645 0.00015 0.00655 153 4XY 0.00077 0.00114 -0.00274 0.00341 0.00057 154 4XZ -0.00198 -0.00374 -0.00015 -0.00069 -0.00437 155 4YZ -0.00085 -0.00260 -0.01084 -0.01030 -0.00481 156 20 O 1S 0.02072 0.03799 -0.01957 -0.03007 -0.01776 157 2S -0.04033 -0.07513 0.03669 0.06083 0.03510 158 2PX 0.05048 0.09539 0.08880 -0.02277 -0.07135 159 2PY -0.10215 -0.19214 0.14279 0.33773 0.12039 160 2PZ -0.04936 -0.11014 0.22325 0.13258 -0.10192 161 3S -0.10026 -0.17953 0.09448 0.10696 0.08850 162 3PX 0.03131 0.06238 0.06562 -0.01545 -0.05529 163 3PY -0.06379 -0.12123 0.09050 0.22437 0.07442 164 3PZ -0.02977 -0.06857 0.14876 0.09407 -0.06635 165 4XX -0.00132 -0.00310 0.00290 0.00206 -0.00656 166 4YY 0.00801 0.01402 -0.00757 -0.01586 -0.00857 167 4ZZ 0.00360 0.00685 -0.00646 -0.00016 0.00655 168 4XY -0.00077 -0.00114 -0.00274 0.00341 -0.00057 169 4XZ -0.00198 -0.00374 0.00015 0.00069 -0.00437 170 4YZ 0.00086 0.00260 -0.01084 -0.01030 0.00481 171 21 C 1S -0.01610 -0.02995 0.00000 0.00000 0.02288 172 2S 0.04091 0.07406 0.00001 -0.00001 -0.05582 173 2PX 0.07057 0.12800 0.00001 -0.00001 -0.03510 174 2PY 0.00000 -0.00001 -0.07714 -0.13499 -0.00003 175 2PZ 0.05923 0.10338 -0.00004 0.00003 0.20384 176 3S 0.04022 0.07740 0.00001 -0.00002 -0.07808 177 3PX 0.02304 0.05228 0.00001 -0.00001 -0.03716 178 3PY 0.00000 0.00000 -0.00728 0.00273 -0.00002 179 3PZ 0.02010 0.02759 -0.00001 0.00002 0.05909 180 4XX 0.00215 0.00365 0.00000 0.00000 -0.01380 181 4YY -0.00707 -0.01381 0.00000 0.00000 0.00258 182 4ZZ 0.00453 0.00872 0.00000 0.00001 0.01488 183 4XY 0.00000 0.00000 -0.00318 -0.01642 0.00000 184 4XZ -0.00715 -0.01400 0.00000 0.00000 -0.01269 185 4YZ 0.00000 0.00000 0.01704 0.01359 0.00000 186 22 H 1S 0.04899 0.09037 -0.00002 0.00003 0.12353 187 2S 0.03185 0.07220 -0.00002 0.00003 0.13817 188 23 H 1S -0.03781 -0.06859 0.00002 -0.00001 -0.09777 189 2S -0.04371 -0.07980 0.00002 -0.00001 -0.09747 36 37 38 39 40 O O O O O Eigenvalues -- -0.32849 -0.32252 -0.31725 -0.27465 -0.19648 1 1 C 1S 0.00562 0.00160 -0.00440 -0.00855 0.00570 2 2S -0.01406 -0.01628 0.01510 0.00723 -0.01367 3 2PX -0.00117 -0.05411 0.01185 0.26888 -0.18953 4 2PY 0.00337 0.01730 0.21747 -0.00210 0.02688 5 2PZ -0.05901 0.19798 0.01172 0.08588 -0.03645 6 3S -0.01902 0.08277 0.00605 0.06364 0.02569 7 3PX -0.01690 -0.00128 0.00418 0.17110 -0.12823 8 3PY 0.00367 0.04636 0.07766 -0.00611 0.05784 9 3PZ -0.01864 0.02451 0.01530 0.04376 -0.05460 10 4XX 0.00034 0.00214 -0.00235 0.00031 -0.00260 11 4YY 0.00066 -0.00099 0.00965 0.00104 -0.00290 12 4ZZ -0.00205 0.00375 -0.00974 -0.00653 0.00803 13 4XY -0.00033 0.00446 -0.00060 0.00713 0.01347 14 4XZ 0.00395 -0.00629 0.00529 -0.00253 0.00678 15 4YZ 0.00523 -0.01617 0.00470 0.00518 0.00061 16 2 C 1S 0.00832 0.00158 0.00141 0.01294 -0.01335 17 2S -0.02229 0.00062 -0.00836 -0.02454 0.02680 18 2PX -0.07231 0.14637 -0.06569 0.10774 -0.26158 19 2PY -0.02892 0.02826 -0.19003 -0.06199 0.08042 20 2PZ 0.07317 -0.21873 -0.01475 0.07731 -0.14971 21 3S -0.00851 -0.04623 0.01564 -0.06978 0.05644 22 3PX -0.03475 0.05223 -0.02138 0.06687 -0.21430 23 3PY -0.00700 -0.02670 -0.05531 -0.06265 0.03308 24 3PZ 0.03586 -0.08814 -0.01113 0.04909 -0.11541 25 4XX 0.00403 0.00652 -0.00653 -0.00236 0.00660 26 4YY 0.00127 -0.00334 0.02105 0.00185 -0.00182 27 4ZZ -0.00331 -0.00153 -0.01063 0.00495 -0.00610 28 4XY -0.00195 0.00373 0.00366 0.00536 -0.00225 29 4XZ 0.00270 -0.00275 0.00449 0.01141 -0.00601 30 4YZ 0.00261 -0.00791 0.00111 0.00085 -0.00136 31 3 C 1S -0.00832 -0.00158 0.00140 0.01294 0.01334 32 2S 0.02229 -0.00061 -0.00835 -0.02453 -0.02676 33 2PX 0.07234 -0.14635 -0.06574 0.10771 0.26167 34 2PY -0.02890 0.02815 0.19003 0.06198 0.08046 35 2PZ -0.07316 0.21875 -0.01467 0.07731 0.14975 36 3S 0.00851 0.04622 0.01566 -0.06981 -0.05654 37 3PX 0.03476 -0.05221 -0.02140 0.06684 0.21434 38 3PY -0.00699 -0.02674 0.05530 0.06266 0.03318 39 3PZ -0.03585 0.08814 -0.01111 0.04910 0.11549 40 4XX -0.00403 -0.00652 -0.00654 -0.00235 -0.00661 41 4YY -0.00127 0.00334 0.02105 0.00185 0.00182 42 4ZZ 0.00331 0.00153 -0.01063 0.00494 0.00609 43 4XY -0.00195 0.00372 -0.00367 -0.00537 -0.00226 44 4XZ -0.00270 0.00275 0.00449 0.01141 0.00599 45 4YZ 0.00261 -0.00791 -0.00110 -0.00084 -0.00136 46 4 C 1S -0.00562 -0.00160 -0.00440 -0.00855 -0.00570 47 2S 0.01406 0.01628 0.01510 0.00723 0.01367 48 2PX 0.00119 0.05411 0.01191 0.26887 0.18916 49 2PY 0.00340 0.01741 -0.21746 0.00213 0.02685 50 2PZ 0.05901 -0.19798 0.01164 0.08587 0.03626 51 3S 0.01903 -0.08277 0.00604 0.06366 -0.02569 52 3PX 0.01691 0.00128 0.00421 0.17109 0.12790 53 3PY 0.00368 0.04638 -0.07765 0.00613 0.05779 54 3PZ 0.01864 -0.02450 0.01529 0.04374 0.05443 55 4XX -0.00034 -0.00214 -0.00235 0.00031 0.00260 56 4YY -0.00066 0.00100 0.00965 0.00104 0.00290 57 4ZZ 0.00205 -0.00376 -0.00974 -0.00653 -0.00803 58 4XY -0.00033 0.00446 0.00060 -0.00713 0.01348 59 4XZ -0.00395 0.00629 0.00529 -0.00253 -0.00678 60 4YZ 0.00523 -0.01617 -0.00470 -0.00518 0.00061 61 5 H 1S -0.04518 0.12965 -0.07676 -0.02526 0.02833 62 2S -0.04300 0.16005 -0.08731 -0.02213 0.04490 63 6 H 1S 0.04518 -0.12963 -0.07678 -0.02526 -0.02835 64 2S 0.04300 -0.16003 -0.08733 -0.02213 -0.04489 65 7 C 1S -0.02810 -0.00912 0.00005 -0.00737 -0.00319 66 2S 0.06338 0.02183 0.00185 0.02130 0.00196 67 2PX 0.06179 0.02466 -0.05205 0.06481 0.06569 68 2PY -0.01672 -0.00570 0.06287 -0.02474 0.00237 69 2PZ 0.04908 0.01981 -0.03168 0.02876 0.08570 70 3S 0.09262 0.02128 0.00419 -0.00229 0.02109 71 3PX 0.07202 0.04393 -0.03753 0.05214 0.05096 72 3PY 0.01200 -0.00500 0.01516 -0.00543 -0.04366 73 3PZ 0.01568 -0.01211 -0.02391 0.01897 0.05117 74 4XX -0.00885 -0.00255 0.00148 -0.01078 0.00785 75 4YY -0.00600 -0.00210 0.00266 0.00081 -0.00127 76 4ZZ 0.01153 0.00355 -0.00436 0.00764 -0.00484 77 4XY -0.01009 -0.00337 -0.00113 -0.00056 -0.00411 78 4XZ -0.00530 -0.00188 0.00245 -0.00767 0.00824 79 4YZ 0.00130 0.00022 -0.00304 0.00174 -0.00644 80 8 C 1S 0.02810 0.00912 0.00006 -0.00738 0.00323 81 2S -0.06338 -0.02183 0.00184 0.02131 -0.00204 82 2PX -0.06177 -0.02466 -0.05207 0.06481 -0.06619 83 2PY -0.01670 -0.00569 -0.06287 0.02473 0.00222 84 2PZ -0.04906 -0.01981 -0.03170 0.02876 -0.08617 85 3S -0.09263 -0.02129 0.00415 -0.00225 -0.02134 86 3PX -0.07201 -0.04393 -0.03755 0.05214 -0.05132 87 3PY 0.01201 -0.00500 -0.01515 0.00543 -0.04381 88 3PZ -0.01567 0.01211 -0.02392 0.01898 -0.05148 89 4XX 0.00885 0.00255 0.00148 -0.01078 -0.00788 90 4YY 0.00599 0.00210 0.00266 0.00081 0.00127 91 4ZZ -0.01153 -0.00355 -0.00436 0.00764 0.00487 92 4XY -0.01009 -0.00337 0.00113 0.00056 -0.00408 93 4XZ 0.00530 0.00188 0.00245 -0.00767 -0.00825 94 4YZ 0.00131 0.00022 0.00304 -0.00174 -0.00642 95 9 H 1S -0.01497 0.02974 0.15643 0.02271 0.02020 96 2S -0.01826 0.04243 0.17273 0.02417 0.04837 97 10 H 1S 0.01496 -0.02977 0.15642 0.02272 -0.02018 98 2S 0.01825 -0.04247 0.17272 0.02418 -0.04834 99 11 C 1S -0.00465 0.00715 -0.00600 0.00321 0.00758 100 2S 0.00900 -0.01882 0.01693 -0.00825 -0.01057 101 2PX -0.15288 0.11102 0.03086 -0.01509 -0.06447 102 2PY 0.00852 -0.01619 -0.26996 -0.06316 0.01229 103 2PZ -0.00339 -0.21044 -0.02785 -0.04124 -0.04984 104 3S 0.02719 -0.04954 0.00457 -0.01192 -0.08231 105 3PX -0.08216 0.06687 0.02647 -0.01009 -0.03326 106 3PY -0.00286 -0.00697 -0.13436 -0.04401 0.02246 107 3PZ -0.00694 -0.11143 -0.02327 0.00288 -0.01921 108 4XX -0.00659 -0.00251 -0.00613 -0.00782 -0.01452 109 4YY 0.00017 -0.00073 0.01200 0.00201 0.00377 110 4ZZ 0.00370 0.00669 -0.00847 0.00560 0.01197 111 4XY -0.00938 0.00666 -0.00336 -0.00079 -0.00420 112 4XZ -0.00404 0.00619 0.00162 0.00110 0.00055 113 4YZ -0.00064 -0.01335 0.00240 0.00168 -0.00092 114 12 H 1S 0.02884 0.11874 -0.05352 0.01889 0.06559 115 2S 0.02101 0.12424 -0.05983 0.04916 0.10790 116 13 H 1S -0.09800 0.02583 -0.04331 -0.04239 -0.08359 117 2S -0.09490 0.02505 -0.04678 -0.04274 -0.10287 118 14 C 1S 0.00465 -0.00715 -0.00600 0.00321 -0.00761 119 2S -0.00900 0.01882 0.01693 -0.00825 0.01063 120 2PX 0.15286 -0.11104 0.03082 -0.01513 0.06436 121 2PY 0.00852 -0.01631 0.26997 0.06316 0.01228 122 2PZ 0.00339 0.21044 -0.02774 -0.04125 0.04990 123 3S -0.02719 0.04954 0.00458 -0.01194 0.08251 124 3PX 0.08215 -0.06688 0.02645 -0.01011 0.03322 125 3PY -0.00286 -0.00703 0.13437 0.04400 0.02241 126 3PZ 0.00694 0.11142 -0.02321 0.00287 0.01928 127 4XX 0.00659 0.00251 -0.00613 -0.00782 0.01451 128 4YY -0.00017 0.00074 0.01200 0.00201 -0.00377 129 4ZZ -0.00369 -0.00669 -0.00848 0.00560 -0.01196 130 4XY -0.00938 0.00666 0.00336 0.00079 -0.00419 131 4XZ 0.00403 -0.00619 0.00162 0.00110 -0.00056 132 4YZ -0.00064 -0.01335 -0.00240 -0.00168 -0.00092 133 15 H 1S -0.02882 -0.11873 -0.05357 0.01891 -0.06557 134 2S -0.02099 -0.12422 -0.05988 0.04917 -0.10788 135 16 H 1S 0.09800 -0.02582 -0.04327 -0.04241 0.08354 136 2S 0.09490 -0.02504 -0.04674 -0.04276 0.10271 137 17 H 1S -0.03694 -0.00892 -0.02568 0.03208 0.05699 138 2S -0.01608 0.01067 -0.03066 0.04245 0.09873 139 18 H 1S 0.03694 0.00893 -0.02567 0.03207 -0.05693 140 2S 0.01609 -0.01066 -0.03066 0.04244 -0.09856 141 19 O 1S 0.01644 0.00227 -0.00292 -0.00340 0.00912 142 2S -0.03497 -0.00675 0.00601 0.00398 -0.02172 143 2PX 0.15354 0.06815 -0.05097 0.14021 -0.09537 144 2PY 0.22691 0.06421 -0.03335 0.02711 -0.02452 145 2PZ 0.26603 0.10501 -0.05281 0.18923 -0.11192 146 3S -0.05341 0.00875 0.01072 0.03365 -0.05325 147 3PX 0.11543 0.05282 -0.03704 0.10661 -0.06907 148 3PY 0.15542 0.04748 -0.02443 0.03023 -0.02290 149 3PZ 0.18567 0.07171 -0.03389 0.12846 -0.08998 150 4XX 0.00406 0.00093 -0.00257 0.00356 0.00380 151 4YY 0.01147 0.00268 -0.00179 0.00220 -0.00203 152 4ZZ -0.00766 -0.00328 0.00291 -0.00935 -0.00004 153 4XY 0.00718 0.00338 -0.00106 0.00469 -0.00350 154 4XZ -0.00203 -0.00108 -0.00090 -0.00013 0.00308 155 4YZ 0.00738 0.00313 -0.00243 0.00626 -0.00413 156 20 O 1S -0.01644 -0.00227 -0.00292 -0.00340 -0.00914 157 2S 0.03497 0.00675 0.00601 0.00398 0.02174 158 2PX -0.15350 -0.06813 -0.05100 0.14022 0.09579 159 2PY 0.22697 0.06423 0.03337 -0.02717 -0.02452 160 2PZ -0.26597 -0.10499 -0.05286 0.18927 0.11250 161 3S 0.05341 -0.00876 0.01071 0.03364 0.05331 162 3PX -0.11540 -0.05281 -0.03706 0.10662 0.06943 163 3PY 0.15547 0.04749 0.02445 -0.03026 -0.02288 164 3PZ -0.18563 -0.07170 -0.03393 0.12849 0.09045 165 4XX -0.00406 -0.00093 -0.00257 0.00356 -0.00381 166 4YY -0.01147 -0.00269 -0.00179 0.00221 0.00203 167 4ZZ 0.00766 0.00328 0.00291 -0.00935 0.00003 168 4XY 0.00718 0.00338 0.00107 -0.00469 -0.00352 169 4XZ 0.00203 0.00108 -0.00090 -0.00013 -0.00308 170 4YZ 0.00738 0.00313 0.00243 -0.00626 -0.00414 171 21 C 1S 0.00000 0.00000 0.00621 -0.00533 0.00001 172 2S 0.00000 0.00000 -0.01557 0.01467 -0.00005 173 2PX -0.00002 -0.00001 0.00820 -0.05048 -0.00009 174 2PY -0.10184 -0.01921 -0.00001 0.00002 -0.03317 175 2PZ -0.00003 -0.00001 0.06963 -0.11484 -0.00007 176 3S 0.00001 0.00000 -0.01865 0.01754 -0.00005 177 3PX -0.00001 0.00000 -0.00535 -0.01870 0.00004 178 3PY -0.00614 0.00208 0.00000 0.00000 -0.04268 179 3PZ -0.00001 0.00000 0.01476 -0.00289 0.00003 180 4XX 0.00000 0.00000 -0.00654 0.01594 0.00002 181 4YY 0.00000 0.00000 0.00247 -0.00582 -0.00001 182 4ZZ 0.00000 0.00000 0.00532 -0.01158 -0.00001 183 4XY -0.01949 -0.00619 0.00000 0.00000 0.00524 184 4XZ 0.00000 0.00000 -0.00636 0.01628 0.00002 185 4YZ -0.01354 -0.00625 0.00000 0.00000 0.00904 186 22 H 1S -0.00001 -0.00001 0.04453 -0.09020 -0.00009 187 2S -0.00001 -0.00001 0.05239 -0.13788 -0.00011 188 23 H 1S 0.00002 0.00001 -0.04781 0.11330 0.00013 189 2S 0.00002 0.00001 -0.05323 0.13726 0.00025 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 -0.00219 -0.00428 0.00496 -0.02226 -0.02045 2 2S 0.00140 0.01119 -0.00500 0.05013 0.04528 3 2PX -0.15069 -0.16791 -0.23535 -0.01649 0.20724 4 2PY 0.02627 0.03584 0.00130 -0.02030 0.01418 5 2PZ -0.07708 -0.06506 -0.11317 0.04494 0.08049 6 3S -0.00292 0.03431 -0.02698 0.19010 0.19051 7 3PX -0.13421 -0.22112 -0.30303 -0.07393 0.33360 8 3PY 0.02412 0.01847 0.05339 -0.04063 -0.07074 9 3PZ -0.07249 -0.08791 -0.15226 0.11422 0.19132 10 4XX 0.00036 0.00748 -0.00040 -0.00270 -0.00383 11 4YY 0.00006 0.00489 0.00189 0.00451 -0.00762 12 4ZZ -0.00357 -0.01288 0.00098 -0.00463 0.00878 13 4XY -0.00618 -0.01706 0.01282 -0.00414 -0.00699 14 4XZ -0.00250 -0.01013 -0.00095 0.00252 0.00479 15 4YZ -0.00166 -0.00152 0.00534 0.00837 -0.00501 16 2 C 1S -0.00525 0.02784 -0.01039 -0.02659 -0.00914 17 2S 0.01902 -0.04874 0.04249 0.04839 0.02014 18 2PX 0.04913 0.29136 -0.02475 0.03294 -0.17704 19 2PY -0.00449 -0.09085 0.01661 -0.08389 0.07806 20 2PZ 0.01317 0.17753 0.00096 0.01120 -0.12581 21 3S -0.02441 -0.21191 -0.03646 0.33491 0.05978 22 3PX 0.02199 0.37348 -0.04518 0.01900 -0.16832 23 3PY -0.02786 -0.10328 0.00016 -0.14691 0.16182 24 3PZ 0.03427 0.21153 0.02574 0.06732 -0.27867 25 4XX -0.00181 0.00834 -0.00239 -0.00052 -0.01077 26 4YY 0.00211 0.00243 0.00417 -0.00944 0.00295 27 4ZZ -0.00324 -0.00201 -0.00511 0.00484 0.00555 28 4XY 0.00074 -0.00666 -0.00009 -0.00460 0.00761 29 4XZ -0.01063 -0.00181 -0.02051 -0.00521 0.01015 30 4YZ 0.00187 -0.00214 0.00100 -0.00182 0.00536 31 3 C 1S -0.00529 0.02783 0.01042 -0.02659 0.00914 32 2S 0.01909 -0.04868 -0.04255 0.04840 -0.02013 33 2PX 0.04850 0.29127 0.02514 0.03289 0.17706 34 2PY 0.00430 0.09085 0.01674 0.08388 0.07817 35 2PZ 0.01280 0.17752 -0.00072 0.01120 0.12590 36 3S -0.02428 -0.21204 0.03616 0.33488 -0.05962 37 3PX 0.02144 0.37339 0.04574 0.01893 0.16845 38 3PY 0.02778 0.10333 0.00034 0.14691 0.16214 39 3PZ 0.03398 0.21154 -0.02544 0.06730 0.27883 40 4XX -0.00179 0.00834 0.00240 -0.00052 0.01077 41 4YY 0.00211 0.00244 -0.00417 -0.00943 -0.00296 42 4ZZ -0.00325 -0.00201 0.00511 0.00484 -0.00554 43 4XY -0.00073 0.00666 -0.00008 0.00460 0.00762 44 4XZ -0.01065 -0.00183 0.02051 -0.00521 -0.01015 45 4YZ -0.00187 0.00214 0.00101 0.00181 0.00537 46 4 C 1S -0.00218 -0.00427 -0.00497 -0.02227 0.02041 47 2S 0.00136 0.01118 0.00502 0.05014 -0.04523 48 2PX -0.15116 -0.16817 0.23513 -0.01644 -0.20735 49 2PY -0.02635 -0.03586 0.00128 0.02029 0.01418 50 2PZ -0.07718 -0.06519 0.11309 0.04496 -0.08041 51 3S -0.00284 0.03434 0.02705 0.19017 -0.19004 52 3PX -0.13453 -0.22144 0.30271 -0.07386 -0.33377 53 3PY -0.02429 -0.01856 0.05340 0.04061 -0.07065 54 3PZ -0.07265 -0.08811 0.15215 0.11424 -0.19118 55 4XX 0.00035 0.00747 0.00040 -0.00271 0.00383 56 4YY 0.00005 0.00489 -0.00188 0.00452 0.00762 57 4ZZ -0.00355 -0.01288 -0.00099 -0.00463 -0.00879 58 4XY 0.00614 0.01705 0.01284 0.00414 -0.00698 59 4XZ -0.00248 -0.01012 0.00093 0.00252 -0.00479 60 4YZ 0.00165 0.00152 0.00534 -0.00837 -0.00502 61 5 H 1S -0.00757 -0.01417 0.01208 -0.03186 -0.00851 62 2S 0.00216 -0.06327 0.04531 -0.35473 -0.11138 63 6 H 1S -0.00750 -0.01415 -0.01210 -0.03186 0.00846 64 2S 0.00228 -0.06321 -0.04542 -0.35475 0.11073 65 7 C 1S 0.01540 -0.01255 0.04274 -0.03552 0.05562 66 2S -0.03326 0.03739 -0.09864 0.06354 -0.11712 67 2PX -0.21265 0.14653 -0.24248 0.04333 -0.03567 68 2PY 0.06651 -0.02709 0.07027 -0.09703 0.10482 69 2PZ -0.19744 0.09837 -0.23154 -0.07921 -0.06545 70 3S -0.09782 0.00915 -0.17561 0.51317 -0.46461 71 3PX -0.16610 0.16592 -0.37673 0.06514 -0.12652 72 3PY 0.06754 -0.00726 0.21106 -0.23041 0.23586 73 3PZ -0.13181 0.10730 -0.15604 -0.15867 0.12279 74 4XX -0.01090 -0.00742 0.00213 -0.00634 0.01314 75 4YY -0.00048 0.00140 0.00199 0.00073 -0.00059 76 4ZZ 0.01341 -0.00072 0.00930 -0.00030 0.00214 77 4XY -0.01253 0.01299 0.01125 0.00282 -0.00084 78 4XZ -0.00001 -0.01007 -0.00280 0.00198 -0.00469 79 4YZ -0.01077 0.01228 0.01050 -0.00173 -0.00008 80 8 C 1S 0.01540 -0.01250 -0.04277 -0.03551 -0.05560 81 2S -0.03326 0.03725 0.09870 0.06351 0.11706 82 2PX -0.21248 0.14618 0.24268 0.04329 0.03581 83 2PY -0.06646 0.02696 0.07025 0.09702 0.10480 84 2PZ -0.19724 0.09804 0.23169 -0.07924 0.06532 85 3S -0.09782 0.00898 0.17570 0.51314 0.46443 86 3PX -0.16597 0.16543 0.37696 0.06510 0.12696 87 3PY -0.06740 0.00694 0.21104 0.23036 0.23576 88 3PZ -0.13170 0.10713 0.15624 -0.15866 -0.12307 89 4XX -0.01088 -0.00742 -0.00215 -0.00634 -0.01313 90 4YY -0.00048 0.00140 -0.00199 0.00073 0.00057 91 4ZZ 0.01340 -0.00071 -0.00930 -0.00029 -0.00214 92 4XY 0.01254 -0.01300 0.01123 -0.00282 -0.00086 93 4XZ 0.00001 -0.01008 0.00279 0.00198 0.00467 94 4YZ 0.01079 -0.01229 0.01048 0.00173 -0.00007 95 9 H 1S 0.01002 0.01405 -0.01525 -0.03105 -0.01496 96 2S 0.00745 0.06147 -0.01897 -0.43942 -0.14727 97 10 H 1S 0.01007 0.01404 0.01526 -0.03105 0.01494 98 2S 0.00756 0.06144 0.01900 -0.43942 0.14682 99 11 C 1S -0.01254 -0.00844 0.01422 -0.05479 -0.02467 100 2S 0.02811 0.02009 -0.02698 0.07344 0.02677 101 2PX -0.04454 -0.00880 0.03098 0.02565 -0.01209 102 2PY 0.00136 -0.02693 -0.02456 0.06471 0.06936 103 2PZ 0.02167 0.03619 -0.04193 -0.12766 -0.00595 104 3S 0.08943 0.04320 -0.14073 0.81088 0.42642 105 3PX -0.00906 -0.01206 0.00959 0.07735 0.03832 106 3PY 0.02197 -0.01265 -0.05870 0.21439 0.15333 107 3PZ 0.02242 0.05440 -0.04665 -0.32515 -0.01133 108 4XX -0.00534 -0.01872 0.00158 -0.00644 -0.01585 109 4YY 0.00279 0.00610 -0.00037 0.00135 0.00291 110 4ZZ 0.00247 0.01172 0.00115 -0.00734 0.00782 111 4XY -0.00044 0.00089 0.00141 -0.00219 0.00004 112 4XZ -0.00228 0.00405 0.00232 -0.00375 0.00003 113 4YZ 0.00074 0.00588 -0.00173 0.00940 0.00334 114 12 H 1S 0.00760 0.02714 0.00751 -0.03821 0.02883 115 2S -0.00178 0.12741 0.03835 -0.80723 -0.15979 116 13 H 1S -0.02459 -0.05664 0.00833 -0.01520 -0.06043 117 2S -0.07214 -0.17615 0.08786 -0.38034 -0.35252 118 14 C 1S -0.01252 -0.00842 -0.01423 -0.05479 0.02470 119 2S 0.02808 0.02006 0.02701 0.07344 -0.02681 120 2PX -0.04468 -0.00878 -0.03097 0.02567 0.01190 121 2PY -0.00140 0.02693 -0.02454 -0.06470 0.06938 122 2PZ 0.02154 0.03613 0.04197 -0.12766 0.00592 123 3S 0.08921 0.04303 0.14081 0.81086 -0.42697 124 3PX -0.00912 -0.01205 -0.00956 0.07745 -0.03892 125 3PY -0.02203 0.01266 -0.05869 -0.21437 0.15353 126 3PZ 0.02236 0.05433 0.04672 -0.32518 0.01122 127 4XX -0.00537 -0.01872 -0.00161 -0.00644 0.01586 128 4YY 0.00279 0.00610 0.00038 0.00136 -0.00291 129 4ZZ 0.00250 0.01172 -0.00114 -0.00734 -0.00782 130 4XY 0.00045 -0.00090 0.00141 0.00219 0.00003 131 4XZ -0.00228 0.00405 -0.00231 -0.00375 -0.00002 132 4YZ -0.00074 -0.00588 -0.00174 -0.00940 0.00333 133 15 H 1S 0.00776 0.02716 -0.00747 -0.03820 -0.02887 134 2S -0.00152 0.12743 -0.03817 -0.80724 0.15969 135 16 H 1S -0.02478 -0.05664 -0.00841 -0.01521 0.06051 136 2S -0.07237 -0.17610 -0.08815 -0.38039 0.35353 137 17 H 1S 0.02324 0.03624 -0.06702 -0.00914 -0.03293 138 2S 0.06020 0.08377 -0.30324 -0.61192 -0.55396 139 18 H 1S 0.02338 0.03614 0.06707 -0.00914 0.03289 140 2S 0.06042 0.08332 0.30333 -0.61202 0.55364 141 19 O 1S -0.00444 -0.00329 -0.01725 0.00686 -0.04751 142 2S 0.00539 0.00135 0.03497 -0.00027 0.08543 143 2PX 0.15730 -0.03353 0.06694 -0.00119 -0.01750 144 2PY -0.01651 0.00728 0.04076 -0.00029 0.07655 145 2PZ 0.22778 -0.08496 0.07221 0.02207 0.01637 146 3S 0.01807 0.05568 0.11891 -0.09215 0.47774 147 3PX 0.13757 -0.02804 0.04510 -0.01875 -0.09588 148 3PY -0.02173 0.02278 0.03197 0.02889 0.13529 149 3PZ 0.18742 -0.09197 0.10358 0.03330 0.01795 150 4XX -0.00402 0.00162 -0.01856 0.00836 -0.02608 151 4YY -0.00253 -0.00199 -0.00010 0.00586 -0.00080 152 4ZZ -0.00012 -0.00503 0.00518 0.00616 -0.01172 153 4XY 0.00711 0.00057 0.00178 -0.00427 -0.00240 154 4XZ 0.00123 0.00053 0.00292 -0.00252 0.00577 155 4YZ 0.00380 0.00122 0.00134 0.00270 -0.00049 156 20 O 1S -0.00441 -0.00332 0.01725 0.00685 0.04747 157 2S 0.00533 0.00141 -0.03497 -0.00025 -0.08536 158 2PX 0.15707 -0.03341 -0.06698 -0.00118 0.01768 159 2PY 0.01652 -0.00732 0.04078 0.00027 0.07653 160 2PZ 0.22753 -0.08485 -0.07230 0.02209 -0.01647 161 3S 0.01794 0.05584 -0.11883 -0.09206 -0.47718 162 3PX 0.13741 -0.02796 -0.04513 -0.01875 0.09615 163 3PY 0.02175 -0.02280 0.03197 -0.02892 0.13519 164 3PZ 0.18721 -0.09182 -0.10368 0.03331 -0.01811 165 4XX -0.00401 0.00159 0.01856 0.00835 0.02607 166 4YY -0.00254 -0.00198 0.00010 0.00586 0.00079 167 4ZZ -0.00013 -0.00502 -0.00519 0.00616 0.01170 168 4XY -0.00710 -0.00057 0.00178 0.00426 -0.00240 169 4XZ 0.00123 0.00053 -0.00291 -0.00251 -0.00577 170 4YZ -0.00379 -0.00122 0.00133 -0.00270 -0.00049 171 21 C 1S 0.01259 -0.00371 0.00000 -0.02419 -0.00001 172 2S -0.03917 0.00991 0.00001 0.04995 0.00002 173 2PX -0.06702 -0.00601 -0.00001 0.00156 -0.00001 174 2PY 0.00005 -0.00008 0.11146 -0.00003 0.23887 175 2PZ -0.05253 -0.01232 0.00000 0.01880 0.00001 176 3S -0.04481 0.01627 0.00002 0.26736 0.00008 177 3PX 0.03407 -0.01239 -0.00002 -0.04382 -0.00005 178 3PY 0.00005 -0.00013 0.17672 -0.00006 0.61362 179 3PZ 0.02467 0.02002 0.00004 0.07382 0.00004 180 4XX 0.01672 -0.00258 0.00000 -0.00503 0.00000 181 4YY -0.00646 0.00086 0.00000 -0.00201 -0.00001 182 4ZZ -0.00608 -0.00135 0.00000 -0.00245 0.00000 183 4XY -0.00001 0.00001 -0.01134 0.00000 -0.01855 184 4XZ 0.01481 -0.00080 0.00000 0.00336 0.00000 185 4YZ -0.00001 0.00000 -0.00442 0.00000 0.00613 186 22 H 1S -0.06857 0.00370 0.00000 -0.01650 0.00002 187 2S -0.08049 0.00135 -0.00002 -0.25694 0.00000 188 23 H 1S 0.10157 -0.00931 0.00000 -0.00452 0.00001 189 2S 0.20300 -0.04210 -0.00002 -0.11438 -0.00008 46 47 48 49 50 V V V V V Eigenvalues -- 0.11267 0.11966 0.13058 0.13383 0.14567 1 1 C 1S -0.01381 0.03206 0.02476 -0.00694 -0.00057 2 2S 0.02300 -0.05365 -0.02326 0.00429 -0.01579 3 2PX -0.05355 0.07394 0.01656 0.10048 -0.15145 4 2PY -0.00399 0.07120 0.06045 -0.03905 -0.03840 5 2PZ 0.02438 -0.10532 -0.09651 0.08502 -0.01515 6 3S 0.16801 -0.61257 -0.45494 0.15535 0.26859 7 3PX -0.08537 0.08283 0.08794 0.10820 -0.25757 8 3PY -0.04179 0.22516 0.11320 0.09500 0.04993 9 3PZ 0.04893 -0.22023 -0.18111 0.22136 -0.04463 10 4XX -0.00471 0.00251 0.00057 -0.00572 -0.00037 11 4YY 0.00299 -0.00255 0.00086 0.00496 0.00778 12 4ZZ -0.00339 0.00061 0.00589 -0.00181 -0.00591 13 4XY -0.00455 0.00162 0.00314 -0.00428 0.00404 14 4XZ -0.00051 -0.00226 -0.00385 0.00437 -0.00349 15 4YZ 0.00342 -0.00884 -0.01198 -0.00337 0.00296 16 2 C 1S 0.00074 0.01271 0.02935 -0.03310 -0.00926 17 2S -0.00707 -0.02571 -0.04278 0.04899 0.01062 18 2PX -0.00267 0.05739 0.02779 -0.10618 0.09214 19 2PY -0.03241 0.05328 0.09089 -0.11851 -0.12977 20 2PZ 0.02946 0.00672 0.00145 -0.06318 0.06817 21 3S 0.03736 -0.13511 -0.42129 0.60958 0.21400 22 3PX 0.10429 0.09749 0.04143 -0.20835 0.16329 23 3PY -0.12205 0.17208 0.28539 -0.36156 -0.41649 24 3PZ 0.08990 0.14256 0.09922 0.05637 0.06571 25 4XX -0.00615 -0.00253 -0.00027 -0.01177 0.00480 26 4YY 0.00152 0.00837 0.01058 0.00098 -0.00370 27 4ZZ 0.00385 -0.00194 -0.00336 0.00411 -0.00137 28 4XY -0.00611 -0.00278 -0.00006 0.00300 -0.01106 29 4XZ 0.00072 0.00457 0.00074 -0.00075 -0.00220 30 4YZ -0.00886 0.00204 0.00200 -0.00261 -0.00308 31 3 C 1S 0.00072 0.01271 0.02932 0.03313 0.00925 32 2S -0.00704 -0.02570 -0.04274 -0.04903 -0.01061 33 2PX -0.00289 0.05740 0.02769 0.10625 -0.09218 34 2PY 0.03231 -0.05326 -0.09079 -0.11860 -0.12973 35 2PZ 0.02931 0.00671 0.00136 0.06316 -0.06820 36 3S 0.03739 -0.13514 -0.42070 -0.61007 -0.21396 37 3PX 0.10402 0.09751 0.04125 0.20853 -0.16337 38 3PY 0.12191 -0.17204 -0.28513 -0.36185 -0.41637 39 3PZ 0.08962 0.14258 0.09923 -0.05628 -0.06588 40 4XX -0.00617 -0.00254 -0.00029 0.01177 -0.00480 41 4YY 0.00152 0.00837 0.01058 -0.00097 0.00369 42 4ZZ 0.00386 -0.00194 -0.00336 -0.00412 0.00137 43 4XY 0.00610 0.00277 0.00005 0.00301 -0.01106 44 4XZ 0.00074 0.00457 0.00074 0.00075 0.00220 45 4YZ 0.00885 -0.00204 -0.00200 -0.00261 -0.00308 46 4 C 1S -0.01384 0.03206 0.02475 0.00697 0.00054 47 2S 0.02305 -0.05366 -0.02324 -0.00432 0.01582 48 2PX -0.05329 0.07397 0.01670 -0.10044 0.15144 49 2PY 0.00396 -0.07116 -0.06038 -0.03913 -0.03830 50 2PZ 0.02448 -0.10533 -0.09643 -0.08514 0.01525 51 3S 0.16824 -0.61263 -0.45485 -0.15596 -0.26804 52 3PX -0.08495 0.08291 0.08809 -0.10813 0.25749 53 3PY 0.04182 -0.22513 -0.11320 0.09486 0.05017 54 3PZ 0.04916 -0.22034 -0.18087 -0.22155 0.04484 55 4XX -0.00472 0.00251 0.00057 0.00572 0.00037 56 4YY 0.00298 -0.00255 0.00086 -0.00496 -0.00778 57 4ZZ -0.00338 0.00061 0.00590 0.00181 0.00591 58 4XY 0.00455 -0.00162 -0.00314 -0.00428 0.00404 59 4XZ -0.00050 -0.00226 -0.00385 -0.00438 0.00349 60 4YZ -0.00342 0.00884 0.01199 -0.00336 0.00294 61 5 H 1S -0.01648 0.02479 0.05260 -0.01453 0.00737 62 2S -0.24863 0.75341 0.57834 -0.20801 -0.19691 63 6 H 1S -0.01648 0.02479 0.05258 0.01458 -0.00741 64 2S -0.24874 0.75351 0.57810 0.20873 0.19624 65 7 C 1S 0.01699 -0.01316 -0.02089 -0.03535 -0.01288 66 2S -0.05182 -0.00330 0.05862 0.04744 0.00546 67 2PX 0.07322 0.07871 -0.02208 -0.07281 0.23357 68 2PY -0.01144 -0.06190 -0.03943 -0.01373 0.04608 69 2PZ -0.13403 -0.06383 -0.05422 -0.17415 0.03259 70 3S -0.07499 0.37143 0.28495 0.59119 0.34536 71 3PX 0.28641 0.09069 0.03613 0.03206 0.45475 72 3PY 0.05781 -0.19983 -0.14671 -0.06464 0.27761 73 3PZ -0.28790 -0.14001 -0.10131 -0.54852 -0.03755 74 4XX 0.00934 0.00469 -0.00385 -0.00530 -0.00112 75 4YY -0.01160 -0.00397 0.00450 -0.00683 -0.00836 76 4ZZ -0.00143 -0.00129 -0.00116 0.00195 -0.00141 77 4XY 0.01160 0.00848 0.00100 0.00189 -0.01042 78 4XZ -0.01183 -0.00135 0.00165 0.00686 -0.00628 79 4YZ -0.01586 -0.00298 -0.00352 0.00923 0.00108 80 8 C 1S 0.01705 -0.01318 -0.02093 0.03533 0.01291 81 2S -0.05197 -0.00327 0.05867 -0.04738 -0.00551 82 2PX 0.07319 0.07864 -0.02226 0.07284 -0.23357 83 2PY 0.01135 0.06195 0.03950 -0.01372 0.04602 84 2PZ -0.13411 -0.06384 -0.05439 0.17409 -0.03257 85 3S -0.07551 0.37159 0.28549 -0.59081 -0.34565 86 3PX 0.28626 0.09064 0.03598 -0.03195 -0.45479 87 3PY -0.05801 0.19996 0.14696 -0.06457 0.27751 88 3PZ -0.28776 -0.14007 -0.10182 0.54838 0.03765 89 4XX 0.00936 0.00469 -0.00385 0.00530 0.00113 90 4YY -0.01160 -0.00397 0.00450 0.00683 0.00836 91 4ZZ -0.00142 -0.00129 -0.00116 -0.00194 0.00141 92 4XY -0.01160 -0.00848 -0.00101 0.00188 -0.01042 93 4XZ -0.01184 -0.00135 0.00166 -0.00687 0.00628 94 4YZ 0.01586 0.00297 0.00351 0.00923 0.00109 95 9 H 1S 0.00518 0.02758 0.03574 -0.00924 0.03400 96 2S -0.10580 0.34560 0.59635 0.69772 0.59343 97 10 H 1S 0.00515 0.02758 0.03573 0.00929 -0.03402 98 2S -0.10598 0.34564 0.59695 -0.69704 -0.59370 99 11 C 1S 0.03720 -0.00445 -0.00016 0.05303 -0.02589 100 2S -0.04923 -0.01088 -0.00889 -0.03704 0.04200 101 2PX -0.17726 -0.00090 -0.01685 -0.01343 -0.01038 102 2PY -0.03670 0.02101 0.01265 -0.02201 -0.05922 103 2PZ -0.04590 -0.09443 -0.03338 0.12570 -0.01917 104 3S -0.60879 0.20227 0.10675 -1.06609 0.28419 105 3PX -0.50181 -0.04402 -0.02172 -0.03297 0.03861 106 3PY -0.19724 0.09722 0.09886 0.15697 -0.09422 107 3PZ -0.14722 -0.25356 -0.09454 0.36931 -0.11246 108 4XX 0.01385 -0.00187 -0.00191 -0.00088 0.00496 109 4YY -0.00151 -0.00271 -0.00097 0.00549 -0.01002 110 4ZZ -0.00322 0.00172 0.00366 0.00710 -0.00089 111 4XY 0.01043 0.00389 0.00526 0.00117 -0.00028 112 4XZ 0.00728 -0.00488 -0.00346 0.00107 -0.00276 113 4YZ 0.00676 0.00112 -0.00426 0.00405 -0.00401 114 12 H 1S -0.03529 -0.01133 0.00883 0.01976 -0.00599 115 2S -0.07440 -0.38636 -0.13343 0.74410 -0.17935 116 13 H 1S 0.07125 0.00058 -0.00344 -0.00930 0.01437 117 2S 1.01704 0.05259 0.03050 0.22171 -0.01456 118 14 C 1S 0.03717 -0.00443 -0.00009 -0.05304 0.02589 119 2S -0.04920 -0.01090 -0.00895 0.03703 -0.04199 120 2PX -0.17728 -0.00089 -0.01684 0.01343 0.01039 121 2PY 0.03657 -0.02100 -0.01262 -0.02200 -0.05923 122 2PZ -0.04590 -0.09439 -0.03323 -0.12577 0.01924 123 3S -0.60842 0.20190 0.10544 1.06637 -0.28419 124 3PX -0.50176 -0.04395 -0.02173 0.03292 -0.03859 125 3PY 0.19688 -0.09724 -0.09901 0.15687 -0.09422 126 3PZ -0.14726 -0.25349 -0.09410 -0.36947 0.11269 127 4XX 0.01384 -0.00187 -0.00191 0.00087 -0.00496 128 4YY -0.00151 -0.00271 -0.00097 -0.00549 0.01002 129 4ZZ -0.00321 0.00172 0.00367 -0.00709 0.00089 130 4XY -0.01042 -0.00389 -0.00526 0.00117 -0.00028 131 4XZ 0.00728 -0.00488 -0.00346 -0.00108 0.00277 132 4YZ -0.00676 -0.00113 0.00426 0.00406 -0.00401 133 15 H 1S -0.03525 -0.01133 0.00885 -0.01976 0.00600 134 2S -0.07458 -0.38616 -0.13251 -0.74446 0.17963 135 16 H 1S 0.07118 0.00058 -0.00345 0.00929 -0.01436 136 2S 1.01659 0.05266 0.03079 -0.22171 0.01447 137 17 H 1S -0.03775 -0.02223 -0.01708 0.00599 -0.02943 138 2S -0.34326 -0.46940 -0.37547 0.74620 0.07270 139 18 H 1S -0.03779 -0.02221 -0.01705 -0.00601 0.02941 140 2S -0.34389 -0.46920 -0.37468 -0.74672 -0.07244 141 19 O 1S -0.03290 0.00748 0.00925 -0.00800 -0.05793 142 2S 0.05652 -0.01014 0.00263 0.00241 0.07429 143 2PX 0.12577 0.01537 0.02865 -0.00989 -0.13112 144 2PY 0.04958 -0.00426 -0.01260 -0.00672 0.06187 145 2PZ -0.06871 -0.01380 0.01905 0.07476 -0.03528 146 3S 0.38792 -0.12533 -0.13494 0.15739 0.76427 147 3PX 0.19666 -0.02370 0.07919 0.00788 -0.18147 148 3PY 0.11226 -0.04961 -0.01407 0.04135 0.18690 149 3PZ -0.12237 0.03475 0.01687 0.09062 -0.05702 150 4XX -0.01109 -0.00457 0.01304 -0.00730 -0.02296 151 4YY -0.00518 -0.00069 0.00834 -0.00478 -0.01415 152 4ZZ -0.00699 0.00600 0.00610 0.00119 -0.02700 153 4XY 0.00013 -0.00287 -0.00520 0.00270 -0.00142 154 4XZ -0.00288 0.00842 -0.00776 -0.00385 0.00706 155 4YZ -0.00217 0.00110 -0.00023 -0.00053 -0.00258 156 20 O 1S -0.03296 0.00751 0.00928 0.00801 0.05795 157 2S 0.05663 -0.01018 0.00258 -0.00241 -0.07432 158 2PX 0.12575 0.01541 0.02872 0.00995 0.13117 159 2PY -0.04965 0.00430 0.01265 -0.00667 0.06197 160 2PZ -0.06871 -0.01379 0.01914 -0.07477 0.03529 161 3S 0.38848 -0.12558 -0.13526 -0.15755 -0.76442 162 3PX 0.19655 -0.02363 0.07931 -0.00777 0.18154 163 3PY -0.11239 0.04967 0.01415 0.04142 0.18709 164 3PZ -0.12237 0.03477 0.01698 -0.09062 0.05708 165 4XX -0.01112 -0.00456 0.01305 0.00731 0.02295 166 4YY -0.00518 -0.00069 0.00834 0.00479 0.01415 167 4ZZ -0.00700 0.00601 0.00611 -0.00119 0.02700 168 4XY -0.00013 0.00287 0.00520 0.00271 -0.00141 169 4XZ -0.00288 0.00842 -0.00777 0.00385 -0.00705 170 4YZ 0.00217 -0.00110 0.00023 -0.00053 -0.00259 171 21 C 1S -0.00315 0.05426 -0.10124 -0.00006 -0.00001 172 2S 0.00894 -0.08096 0.16328 0.00009 0.00002 173 2PX -0.02711 0.21288 -0.19172 -0.00008 0.00006 174 2PY -0.00014 0.00008 0.00007 0.06788 0.30590 175 2PZ 0.00865 -0.11613 0.03260 0.00001 -0.00007 176 3S 0.06191 -0.97823 1.52631 0.00080 0.00001 177 3PX -0.06518 0.63871 -0.48914 -0.00020 0.00012 178 3PY -0.00038 0.00020 0.00019 0.13632 0.81912 179 3PZ 0.00306 -0.33933 0.10245 0.00002 -0.00018 180 4XX 0.00534 0.00213 -0.00664 0.00000 0.00000 181 4YY -0.00963 -0.00042 -0.00382 0.00000 -0.00001 182 4ZZ 0.00111 0.01277 -0.01111 -0.00001 0.00001 183 4XY 0.00001 -0.00001 0.00000 -0.00363 -0.01786 184 4XZ -0.00215 0.00488 -0.00182 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00001 -0.00546 0.01539 186 22 H 1S 0.02152 0.03789 -0.05358 -0.00002 0.00004 187 2S -0.02142 1.01234 -0.97495 -0.00044 0.00035 188 23 H 1S 0.01688 0.04023 -0.03994 -0.00002 -0.00001 189 2S -0.05526 0.79017 -1.13745 -0.00058 -0.00010 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 -0.01638 0.04661 -0.02168 0.03045 0.01231 2 2S 0.01240 -0.06369 0.03374 -0.05120 0.02408 3 2PX -0.00407 0.02734 0.01577 -0.00051 0.03376 4 2PY -0.03526 0.05574 -0.03174 0.05932 0.03639 5 2PZ 0.00914 -0.08511 0.00803 -0.01686 -0.08871 6 3S 0.32960 -0.90820 0.32233 -0.52047 -0.33697 7 3PX -0.03708 0.13769 0.00773 -0.02152 0.08920 8 3PY -0.18544 0.00757 -0.13127 0.27120 0.13043 9 3PZ 0.03147 -0.32732 -0.01864 -0.02347 -0.14680 10 4XX 0.00118 0.00186 -0.00200 0.00391 -0.00258 11 4YY 0.00075 -0.00015 0.00345 -0.00457 0.00515 12 4ZZ -0.00532 0.00327 -0.00519 0.00215 0.00789 13 4XY -0.00299 -0.00102 0.00294 -0.00875 0.00001 14 4XZ 0.00500 -0.00126 0.00382 -0.00319 -0.00111 15 4YZ -0.00219 0.00103 0.00154 0.00329 -0.00655 16 2 C 1S 0.03873 0.02868 0.04018 -0.07654 -0.01477 17 2S -0.06677 -0.02473 -0.04741 0.08627 0.03579 18 2PX 0.03501 0.03408 -0.03627 0.11278 0.00573 19 2PY 0.03045 0.14312 0.00846 -0.06730 -0.00104 20 2PZ 0.03284 0.05732 0.03561 -0.03701 -0.02022 21 3S -0.55874 -0.61123 -0.70239 1.35210 0.17879 22 3PX 0.14147 0.00651 -0.14236 0.28869 0.01987 23 3PY 0.20831 0.38633 -0.01334 -0.23078 -0.04169 24 3PZ 0.02797 0.27402 0.09443 -0.10197 -0.03391 25 4XX 0.00245 0.00114 0.00290 -0.00415 -0.01038 26 4YY -0.00340 0.00825 -0.00323 -0.00281 0.00551 27 4ZZ 0.00726 -0.00250 0.00819 -0.00836 0.00292 28 4XY -0.00531 0.00537 -0.00067 -0.00396 -0.00650 29 4XZ -0.00003 0.00373 -0.00169 0.00431 -0.00254 30 4YZ -0.00441 -0.00873 -0.00159 0.00135 0.00439 31 3 C 1S 0.03875 -0.02857 0.04020 -0.07656 -0.01478 32 2S -0.06678 0.02460 -0.04742 0.08629 0.03578 33 2PX 0.03504 -0.03423 -0.03622 0.11275 0.00568 34 2PY -0.03050 0.14308 -0.00861 0.06741 0.00100 35 2PZ 0.03284 -0.05721 0.03568 -0.03704 -0.02030 36 3S -0.55897 0.60941 -0.70302 1.35248 0.17895 37 3PX 0.14160 -0.00697 -0.14230 0.28868 0.01988 38 3PY -0.20848 0.38624 0.01301 0.23106 0.04150 39 3PZ 0.02794 -0.27376 0.09476 -0.10217 -0.03407 40 4XX 0.00245 -0.00113 0.00290 -0.00415 -0.01038 41 4YY -0.00340 -0.00825 -0.00322 -0.00281 0.00551 42 4ZZ 0.00726 0.00252 0.00818 -0.00836 0.00292 43 4XY 0.00531 0.00537 0.00067 0.00396 0.00650 44 4XZ -0.00003 -0.00373 -0.00169 0.00430 -0.00254 45 4YZ 0.00441 -0.00873 0.00160 -0.00135 -0.00440 46 4 C 1S -0.01638 -0.04667 -0.02162 0.03042 0.01228 47 2S 0.01240 0.06377 0.03365 -0.05115 0.02413 48 2PX -0.00408 -0.02735 0.01577 -0.00051 0.03381 49 2PY 0.03524 0.05582 0.03168 -0.05929 -0.03637 50 2PZ 0.00913 0.08519 0.00793 -0.01682 -0.08868 51 3S 0.32950 0.90916 0.32133 -0.51982 -0.33660 52 3PX -0.03713 -0.13771 0.00785 -0.02155 0.08919 53 3PY 0.18545 0.00790 0.13119 -0.27118 -0.13038 54 3PZ 0.03146 0.32739 -0.01909 -0.02333 -0.14663 55 4XX 0.00118 -0.00187 -0.00199 0.00390 -0.00258 56 4YY 0.00075 0.00016 0.00345 -0.00456 0.00514 57 4ZZ -0.00531 -0.00328 -0.00518 0.00215 0.00789 58 4XY 0.00299 -0.00103 -0.00294 0.00875 -0.00001 59 4XZ 0.00500 0.00127 0.00382 -0.00319 -0.00111 60 4YZ 0.00219 0.00103 -0.00154 -0.00329 0.00656 61 5 H 1S -0.01828 0.02212 -0.02948 0.00958 0.03452 62 2S -0.27532 0.76839 -0.23514 0.42954 0.44794 63 6 H 1S -0.01828 -0.02218 -0.02945 0.00957 0.03451 64 2S -0.27523 -0.76923 -0.23415 0.42902 0.44763 65 7 C 1S -0.02120 -0.02739 0.02076 -0.01730 0.04300 66 2S 0.02515 0.04253 -0.03572 0.03953 -0.05437 67 2PX -0.12082 0.09877 0.00913 -0.09297 0.01694 68 2PY -0.00869 0.01007 0.05547 -0.04543 0.10257 69 2PZ 0.16116 -0.05954 0.03298 0.09170 0.04332 70 3S 0.21093 0.33511 -0.28862 0.16527 -0.81949 71 3PX -0.35942 0.27948 0.01166 -0.20647 0.05431 72 3PY -0.10540 -0.11296 0.09444 -0.06274 0.41620 73 3PZ 0.38982 -0.26562 0.08960 0.18697 0.11583 74 4XX -0.00626 -0.00131 0.00264 -0.00337 0.00194 75 4YY 0.00762 -0.01122 0.00107 0.00394 -0.00580 76 4ZZ -0.00235 -0.00077 0.00288 0.00047 0.00629 77 4XY -0.00772 -0.00446 -0.00418 -0.01255 0.00308 78 4XZ 0.01025 -0.00107 -0.00210 0.00986 -0.01423 79 4YZ 0.02215 0.00517 -0.00051 0.01221 0.00690 80 8 C 1S -0.02123 0.02742 0.02072 -0.01729 0.04298 81 2S 0.02519 -0.04260 -0.03565 0.03952 -0.05432 82 2PX -0.12082 -0.09871 0.00933 -0.09307 0.01678 83 2PY 0.00867 0.00997 -0.05552 0.04541 -0.10253 84 2PZ 0.16114 0.05953 0.03287 0.09173 0.04323 85 3S 0.21114 -0.33538 -0.28786 0.16519 -0.81927 86 3PX -0.35936 -0.27941 0.01222 -0.20671 0.05408 87 3PY 0.10539 -0.11308 -0.09448 0.06260 -0.41602 88 3PZ 0.38974 0.26560 0.08913 0.18711 0.11560 89 4XX -0.00626 0.00131 0.00263 -0.00337 0.00193 90 4YY 0.00762 0.01122 0.00105 0.00395 -0.00580 91 4ZZ -0.00236 0.00078 0.00288 0.00047 0.00628 92 4XY 0.00771 -0.00446 0.00419 0.01254 -0.00309 93 4XZ 0.01025 0.00107 -0.00210 0.00986 -0.01422 94 4YZ -0.02215 0.00518 0.00050 -0.01221 -0.00691 95 9 H 1S -0.00681 -0.05584 -0.00733 -0.03202 0.01182 96 2S 0.46495 -0.83227 0.25748 -0.79425 -0.11473 97 10 H 1S -0.00682 0.05584 -0.00739 -0.03198 0.01182 98 2S 0.46464 0.83313 0.25675 -0.79376 -0.11488 99 11 C 1S -0.01073 0.05981 -0.03686 0.05102 -0.02083 100 2S 0.02906 -0.06966 0.04100 -0.04431 0.02057 101 2PX -0.16780 -0.00206 -0.04062 -0.02765 0.05105 102 2PY -0.01198 0.10936 0.04030 -0.07645 0.03208 103 2PZ -0.10787 0.02453 -0.01902 -0.08717 -0.11751 104 3S 0.06425 -0.95693 0.64418 -0.93499 0.43578 105 3PX -0.38124 0.03142 -0.19232 0.05676 0.02922 106 3PY 0.08429 0.26345 0.22649 -0.37224 0.11606 107 3PZ -0.28506 0.12416 0.02802 -0.31529 -0.33908 108 4XX -0.00287 -0.00092 -0.00004 0.00075 0.00761 109 4YY 0.00658 0.01881 0.00259 -0.00025 -0.00021 110 4ZZ -0.00427 -0.00749 -0.00907 0.01053 -0.01174 111 4XY 0.00817 -0.00199 0.00512 -0.00842 -0.00144 112 4XZ 0.00306 0.00185 0.00619 -0.00950 -0.00332 113 4YZ 0.00235 0.00191 -0.00158 0.01452 0.00900 114 12 H 1S -0.02559 -0.01224 -0.01913 -0.01216 -0.06974 115 2S -0.58070 0.31272 -0.39303 0.08073 -0.69649 116 13 H 1S 0.02812 0.00544 0.02550 -0.01990 0.02741 117 2S 0.59857 0.20431 -0.04752 0.47488 -0.12219 118 14 C 1S -0.01073 -0.05989 -0.03682 0.05097 -0.02088 119 2S 0.02905 0.06974 0.04096 -0.04426 0.02061 120 2PX -0.16780 0.00195 -0.04060 -0.02767 0.05112 121 2PY 0.01195 0.10928 -0.04042 0.07654 -0.03202 122 2PZ -0.10788 -0.02445 -0.01901 -0.08719 -0.11753 123 3S 0.06428 0.95820 0.64340 -0.93409 0.43683 124 3PX -0.38121 -0.03185 -0.19214 0.05662 0.02933 125 3PY -0.08426 0.26297 -0.22683 0.37255 -0.11573 126 3PZ -0.28505 -0.12382 0.02807 -0.31534 -0.33906 127 4XX -0.00287 0.00091 -0.00004 0.00075 0.00760 128 4YY 0.00658 -0.01881 0.00261 -0.00025 -0.00021 129 4ZZ -0.00428 0.00748 -0.00908 0.01053 -0.01175 130 4XY -0.00818 -0.00199 -0.00512 0.00842 0.00144 131 4XZ 0.00306 -0.00184 0.00619 -0.00950 -0.00332 132 4YZ -0.00235 0.00192 0.00158 -0.01453 -0.00900 133 15 H 1S -0.02560 0.01224 -0.01915 -0.01216 -0.06974 134 2S -0.58065 -0.31315 -0.39281 0.08040 -0.69670 135 16 H 1S 0.02813 -0.00540 0.02550 -0.01989 0.02740 136 2S 0.59862 -0.20452 -0.04746 0.47473 -0.12260 137 17 H 1S 0.04300 0.00061 0.02144 0.03365 0.07033 138 2S 0.39994 0.48715 0.35831 0.12605 0.82426 139 18 H 1S 0.04301 -0.00062 0.02143 0.03366 0.07037 140 2S 0.40017 -0.48694 0.35909 0.12581 0.82463 141 19 O 1S 0.04129 -0.02955 0.00052 0.02127 -0.06015 142 2S -0.06296 0.02367 -0.00529 -0.03269 0.07901 143 2PX -0.14670 -0.09036 0.05090 -0.07103 -0.00163 144 2PY -0.05486 0.04943 -0.02089 -0.03345 0.15637 145 2PZ 0.06711 0.00660 0.04645 0.10618 -0.04968 146 3S -0.52614 0.45462 -0.01345 -0.27132 0.82268 147 3PX -0.28359 -0.11355 0.10754 -0.12217 0.00564 148 3PY -0.13706 0.13192 -0.05286 -0.05444 0.33444 149 3PZ 0.11167 0.02675 0.11789 0.18277 -0.11777 150 4XX 0.01230 -0.01950 -0.00116 0.01186 -0.02084 151 4YY 0.00954 -0.01027 0.00077 0.00215 -0.01447 152 4ZZ 0.01410 -0.01685 -0.00634 0.00636 -0.02863 153 4XY 0.00208 -0.00139 -0.00254 0.00071 0.01101 154 4XZ 0.00268 0.00321 0.00602 -0.00123 -0.00632 155 4YZ 0.00644 -0.00312 -0.00906 -0.00287 -0.00411 156 20 O 1S 0.04130 0.02956 0.00046 0.02130 -0.06012 157 2S -0.06298 -0.02369 -0.00524 -0.03271 0.07896 158 2PX -0.14670 0.09046 0.05073 -0.07097 -0.00158 159 2PY 0.05485 0.04953 0.02079 0.03348 -0.15632 160 2PZ 0.06713 -0.00658 0.04645 0.10620 -0.04966 161 3S -0.52620 -0.45477 -0.01250 -0.27168 0.82215 162 3PX -0.28358 0.11373 0.10731 -0.12209 0.00574 163 3PY 0.13706 0.13212 0.05258 0.05451 -0.33430 164 3PZ 0.11171 -0.02666 0.11791 0.18278 -0.11776 165 4XX 0.01230 0.01949 -0.00119 0.01188 -0.02082 166 4YY 0.00954 0.01028 0.00074 0.00216 -0.01447 167 4ZZ 0.01410 0.01684 -0.00637 0.00638 -0.02861 168 4XY -0.00208 -0.00138 0.00254 -0.00071 -0.01102 169 4XZ 0.00268 -0.00320 0.00603 -0.00123 -0.00633 170 4YZ -0.00644 -0.00312 0.00907 0.00286 0.00411 171 21 C 1S 0.00447 -0.00001 -0.00742 -0.00634 0.07046 172 2S -0.01554 0.00002 0.00243 -0.00613 -0.10512 173 2PX 0.07319 0.00003 -0.12391 -0.12106 -0.19815 174 2PY 0.00000 0.17787 -0.00014 0.00007 0.00004 175 2PZ 0.13031 -0.00019 -0.41306 -0.16614 0.12580 176 3S -0.06031 0.00007 0.09700 0.12841 -0.79484 177 3PX 0.17842 0.00006 -0.28534 -0.24426 -0.66026 178 3PY 0.00003 0.51189 -0.00044 0.00024 0.00019 179 3PZ 0.35679 -0.00053 -1.09081 -0.39966 0.46919 180 4XX -0.00248 0.00000 -0.00338 -0.00691 0.01579 181 4YY 0.00944 -0.00001 -0.00478 0.00668 0.00932 182 4ZZ -0.00309 0.00001 0.00819 -0.00363 -0.01766 183 4XY 0.00000 -0.01324 0.00001 -0.00001 0.00000 184 4XZ 0.00537 0.00000 -0.00771 -0.00051 -0.01194 185 4YZ 0.00000 0.00807 -0.00001 0.00001 0.00001 186 22 H 1S -0.04093 0.00006 0.06373 -0.01899 -0.02196 187 2S -0.43850 0.00072 1.33700 0.40896 -0.24645 188 23 H 1S -0.00238 -0.00002 -0.04743 -0.03546 0.00265 189 2S 0.48075 -0.00046 -1.27519 -0.69360 0.15251 56 57 58 59 60 V V V V V Eigenvalues -- 0.19723 0.20300 0.21252 0.24290 0.24318 1 1 C 1S -0.01357 0.08144 0.00853 -0.01357 0.00876 2 2S 0.01510 -0.15594 -0.01268 0.02844 -0.00972 3 2PX -0.01891 0.06568 0.04562 -0.03947 -0.11734 4 2PY 0.02537 0.03855 0.02355 -0.10082 -0.06254 5 2PZ -0.03706 -0.07641 -0.03239 0.08961 0.09152 6 3S 0.07325 -0.80294 -0.24603 0.49430 -0.29113 7 3PX -0.09672 0.45269 0.04776 -0.27061 -0.33729 8 3PY 0.04509 0.40573 0.14584 -0.40431 -0.31832 9 3PZ -0.02032 -0.68198 -0.06216 0.40679 0.48222 10 4XX -0.00275 -0.00136 0.00256 -0.00211 0.00236 11 4YY -0.00809 0.01527 -0.00033 -0.00936 0.00670 12 4ZZ 0.00074 0.00357 -0.00317 0.01515 -0.00888 13 4XY 0.00094 -0.00451 -0.00132 -0.00571 0.00492 14 4XZ 0.00206 0.00025 0.00112 -0.00851 -0.00098 15 4YZ -0.00087 0.00605 0.00086 -0.00943 -0.00358 16 2 C 1S 0.00058 -0.05802 -0.01862 -0.03485 0.01109 17 2S -0.01448 0.11048 0.02459 0.04205 -0.03737 18 2PX -0.00346 -0.02137 0.01889 0.15754 0.03009 19 2PY 0.07825 -0.07860 -0.04652 0.21017 -0.05361 20 2PZ -0.04758 0.00388 -0.00184 -0.12907 0.03550 21 3S 0.01030 0.53220 0.30027 0.60486 0.08761 22 3PX 0.26918 -0.18452 -0.08911 0.65737 0.03860 23 3PY 0.34010 -0.71471 -0.20160 1.02231 -0.13528 24 3PZ -0.01903 0.06256 0.07269 -0.59739 0.43501 25 4XX -0.00408 -0.00397 -0.00437 -0.00468 -0.00322 26 4YY 0.00064 0.00246 -0.00224 -0.00070 0.00228 27 4ZZ 0.00293 -0.01010 0.00200 0.00083 0.00225 28 4XY -0.00898 0.00172 -0.00236 -0.00652 0.00661 29 4XZ -0.00161 0.00982 0.00093 -0.00058 0.00079 30 4YZ 0.00412 -0.00893 0.00325 0.00364 -0.02061 31 3 C 1S -0.00058 0.05802 -0.01864 -0.03473 -0.01141 32 2S 0.01447 -0.11048 0.02462 0.04168 0.03775 33 2PX 0.00344 0.02139 0.01886 0.15785 -0.02862 34 2PY 0.07824 -0.07858 0.04657 -0.20957 -0.05556 35 2PZ 0.04760 -0.00389 -0.00183 -0.12874 -0.03672 36 3S -0.01038 -0.53225 0.30056 0.60529 -0.08204 37 3PX -0.26922 0.18466 -0.08935 0.65791 -0.03247 38 3PY 0.34005 -0.71457 0.20184 -1.02065 -0.14469 39 3PZ 0.01908 -0.06269 0.07278 -0.59348 -0.44061 40 4XX 0.00408 0.00397 -0.00437 -0.00471 0.00317 41 4YY -0.00064 -0.00246 -0.00223 -0.00069 -0.00227 42 4ZZ -0.00293 0.01010 0.00200 0.00086 -0.00225 43 4XY -0.00897 0.00172 0.00236 0.00647 0.00667 44 4XZ 0.00161 -0.00982 0.00094 -0.00057 -0.00079 45 4YZ 0.00412 -0.00894 -0.00325 -0.00345 -0.02064 46 4 C 1S 0.01357 -0.08144 0.00855 -0.01348 -0.00889 47 2S -0.01509 0.15593 -0.01271 0.02834 0.00998 48 2PX 0.01892 -0.06568 0.04564 -0.04056 0.11697 49 2PY 0.02536 0.03852 -0.02353 0.10142 -0.06155 50 2PZ 0.03703 0.07642 -0.03237 0.09041 -0.09071 51 3S -0.07328 0.80296 -0.24618 0.49127 0.29577 52 3PX 0.09675 -0.45276 0.04787 -0.27370 0.33482 53 3PY 0.04509 0.40547 -0.14591 0.40729 -0.31434 54 3PZ 0.02025 0.68203 -0.06217 0.41106 -0.47852 55 4XX 0.00275 0.00136 0.00256 -0.00209 -0.00239 56 4YY 0.00810 -0.01527 -0.00033 -0.00929 -0.00679 57 4ZZ -0.00073 -0.00357 -0.00317 0.01507 0.00902 58 4XY 0.00094 -0.00451 0.00132 0.00567 0.00497 59 4XZ -0.00206 -0.00025 0.00112 -0.00852 0.00090 60 4YZ -0.00086 0.00605 -0.00086 0.00945 -0.00350 61 5 H 1S 0.00210 0.04002 -0.00957 0.03913 -0.01419 62 2S 0.01995 1.34342 0.25766 -0.76957 -0.67716 63 6 H 1S -0.00209 -0.04002 -0.00956 0.03898 0.01456 64 2S -0.01980 -1.34338 0.25778 -0.77556 0.66998 65 7 C 1S -0.05191 0.00386 0.04855 0.01477 0.01213 66 2S 0.07145 -0.03031 -0.09896 -0.03119 -0.03557 67 2PX -0.05303 -0.04201 0.06701 0.04137 0.02977 68 2PY -0.01396 0.02036 0.14941 0.03579 0.03120 69 2PZ -0.14403 -0.00064 0.03284 -0.03388 0.03688 70 3S 0.84133 0.21160 -0.67238 -0.15632 -0.05564 71 3PX 0.08794 -0.06382 0.07662 -0.00513 0.09252 72 3PY -0.06111 0.31895 0.25504 0.04123 0.19866 73 3PZ -0.42803 0.03403 0.02945 -0.02888 0.11194 74 4XX -0.00322 0.00274 0.00243 0.00301 0.00194 75 4YY -0.01198 0.00214 0.00277 -0.00133 -0.00172 76 4ZZ -0.00083 -0.00234 0.00043 0.00117 -0.00062 77 4XY 0.00185 0.00137 0.01313 0.00719 0.00076 78 4XZ 0.00345 -0.00008 -0.00096 -0.00144 -0.00572 79 4YZ 0.00719 -0.00171 -0.00855 -0.00370 -0.00260 80 8 C 1S 0.05191 -0.00385 0.04856 0.01492 -0.01199 81 2S -0.07145 0.03029 -0.09897 -0.03158 0.03529 82 2PX 0.05301 0.04204 0.06707 0.04169 -0.02937 83 2PY -0.01399 0.02033 -0.14946 -0.03606 0.03087 84 2PZ 0.14409 0.00063 0.03277 -0.03347 -0.03723 85 3S -0.84155 -0.21168 -0.67237 -0.15751 0.05419 86 3PX -0.08798 0.06389 0.07682 -0.00436 -0.09250 87 3PY -0.06134 0.31895 -0.25525 -0.04285 0.19831 88 3PZ 0.42816 -0.03396 0.02923 -0.02753 -0.11225 89 4XX 0.00322 -0.00275 0.00243 0.00303 -0.00192 90 4YY 0.01197 -0.00214 0.00277 -0.00134 0.00171 91 4ZZ 0.00084 0.00233 0.00044 0.00117 0.00063 92 4XY 0.00185 0.00137 -0.01313 -0.00720 0.00069 93 4XZ -0.00345 0.00008 -0.00096 -0.00150 0.00571 94 4YZ 0.00719 -0.00171 0.00855 0.00373 -0.00256 95 9 H 1S 0.00845 0.03282 -0.01909 0.00874 -0.02683 96 2S -0.36718 1.00394 -0.35775 0.93305 0.06956 97 10 H 1S -0.00845 -0.03282 -0.01910 0.00853 0.02691 98 2S 0.36718 -1.00403 -0.35736 0.93372 -0.06085 99 11 C 1S -0.09119 -0.02792 -0.00940 0.04425 0.05496 100 2S 0.06292 0.07104 0.00255 -0.02799 -0.06309 101 2PX 0.17534 0.00052 0.02549 0.09879 0.20194 102 2PY -0.03144 0.07779 0.01899 -0.03860 0.25401 103 2PZ 0.05793 -0.00878 -0.05153 -0.06855 0.02346 104 3S 1.81747 0.05420 0.24838 -0.98136 -0.90901 105 3PX 0.49525 0.16651 -0.04086 0.64000 0.81386 106 3PY -0.46502 0.46370 0.02921 -0.23893 1.08630 107 3PZ 0.37396 -0.19093 -0.10843 -0.64498 0.06027 108 4XX -0.00349 -0.00390 0.00460 0.00998 -0.00595 109 4YY -0.01318 -0.00021 -0.00163 -0.00180 0.02273 110 4ZZ -0.00485 -0.00575 -0.00570 0.00018 -0.00880 111 4XY 0.00358 0.00078 -0.00327 -0.00842 0.00644 112 4XZ 0.00232 0.00509 0.00017 -0.02496 -0.00662 113 4YZ 0.00325 -0.00258 0.00857 0.01164 -0.00214 114 12 H 1S 0.00072 -0.02880 -0.03633 -0.07051 -0.02625 115 2S -0.04354 -0.42280 -0.30443 -0.11730 0.15039 116 13 H 1S -0.00807 -0.01987 0.01888 -0.04133 -0.04941 117 2S -1.16683 -0.37626 -0.02343 -0.13202 -0.96461 118 14 C 1S 0.09118 0.02792 -0.00938 0.04477 -0.05455 119 2S -0.06290 -0.07104 0.00255 -0.02858 0.06283 120 2PX -0.17533 -0.00053 0.02543 0.10074 -0.20107 121 2PY -0.03148 0.07778 -0.01905 0.03640 0.25430 122 2PZ -0.05801 0.00879 -0.05160 -0.06819 -0.02405 123 3S -1.81724 -0.05410 0.24785 -0.99003 0.89981 124 3PX -0.49519 -0.16666 -0.04104 0.64792 -0.80812 125 3PY -0.46516 0.46361 -0.02963 0.22953 1.08830 126 3PZ -0.37424 0.19104 -0.10877 -0.64390 -0.06606 127 4XX 0.00349 0.00390 0.00459 0.00993 0.00604 128 4YY 0.01319 0.00021 -0.00161 -0.00159 -0.02274 129 4ZZ 0.00485 0.00575 -0.00570 0.00010 0.00881 130 4XY 0.00358 0.00078 0.00328 0.00836 0.00652 131 4XZ -0.00232 -0.00509 0.00018 -0.02502 0.00639 132 4YZ 0.00325 -0.00259 -0.00856 -0.01163 -0.00225 133 15 H 1S -0.00075 0.02879 -0.03635 -0.07071 0.02559 134 2S 0.04311 0.42278 -0.30478 -0.11502 -0.15136 135 16 H 1S 0.00809 0.01987 0.01887 -0.04179 0.04902 136 2S 1.16688 0.37622 -0.02312 -0.14125 0.96330 137 17 H 1S 0.02922 -0.00182 -0.02290 -0.00249 -0.01257 138 2S 0.86424 -0.15940 0.60034 0.08656 -0.27116 139 18 H 1S -0.02917 0.00181 -0.02292 -0.00264 0.01253 140 2S -0.86387 0.15945 0.60034 0.08356 0.27180 141 19 O 1S 0.00300 0.00578 0.03324 -0.00516 0.00177 142 2S -0.00955 -0.00170 -0.03139 0.02446 0.00497 143 2PX -0.00781 0.03866 0.16267 0.06651 0.05251 144 2PY -0.02375 -0.01753 -0.21560 -0.02125 -0.01315 145 2PZ 0.04723 -0.01213 -0.13278 -0.01035 -0.03869 146 3S -0.00440 -0.11751 -0.53521 0.00046 -0.04988 147 3PX 0.00143 0.06970 0.31831 0.08542 0.08208 148 3PY -0.00389 -0.06797 -0.47995 -0.03387 -0.04637 149 3PZ 0.07390 -0.01844 -0.23585 -0.02523 -0.07572 150 4XX -0.00325 0.00254 0.00766 -0.00206 0.00451 151 4YY -0.00283 -0.00024 0.01361 0.00675 0.00185 152 4ZZ 0.00684 0.00603 0.01908 0.00284 0.00113 153 4XY 0.00373 0.00213 -0.00368 -0.00088 0.00090 154 4XZ -0.00372 -0.00092 0.01160 0.00226 0.00077 155 4YZ -0.00212 -0.00105 0.00748 0.00186 -0.00035 156 20 O 1S -0.00303 -0.00577 0.03322 -0.00514 -0.00182 157 2S 0.00958 0.00168 -0.03136 0.02453 -0.00474 158 2PX 0.00775 -0.03861 0.16267 0.06700 -0.05187 159 2PY -0.02385 -0.01749 0.21563 0.02134 -0.01295 160 2PZ -0.04720 0.01210 -0.13275 -0.01072 0.03857 161 3S 0.00482 0.11737 -0.53473 0.00003 0.04984 162 3PX -0.00155 -0.06960 0.31831 0.08612 -0.08123 163 3PY -0.00411 -0.06787 0.47992 0.03426 -0.04604 164 3PZ -0.07385 0.01838 -0.23578 -0.02593 0.07543 165 4XX 0.00324 -0.00254 0.00765 -0.00202 -0.00453 166 4YY 0.00282 0.00025 0.01361 0.00678 -0.00178 167 4ZZ -0.00686 -0.00603 0.01906 0.00285 -0.00110 168 4XY 0.00372 0.00213 0.00368 0.00088 0.00091 169 4XZ 0.00372 0.00093 0.01160 0.00227 -0.00075 170 4YZ -0.00211 -0.00105 -0.00748 -0.00186 -0.00037 171 21 C 1S 0.00003 -0.00001 -0.11819 -0.00801 -0.00004 172 2S -0.00005 0.00002 0.18984 0.02424 0.00012 173 2PX -0.00009 0.00003 0.23627 0.03427 0.00017 174 2PY 0.02593 -0.03024 -0.00001 0.00029 -0.05934 175 2PZ 0.00000 -0.00004 0.00891 -0.04427 -0.00021 176 3S -0.00040 0.00018 1.61125 0.09511 0.00055 177 3PX -0.00028 0.00013 0.92962 0.05228 0.00032 178 3PY -0.01410 -0.21544 -0.00014 0.00087 -0.20290 179 3PZ 0.00003 -0.00013 -0.10502 -0.11774 -0.00058 180 4XX 0.00000 0.00000 -0.00114 0.00293 0.00001 181 4YY 0.00001 0.00000 -0.02811 -0.00802 -0.00004 182 4ZZ -0.00001 0.00000 0.02831 0.00730 0.00004 183 4XY 0.00037 0.00227 0.00000 -0.00002 0.00526 184 4XZ 0.00000 0.00000 0.01326 0.00178 0.00001 185 4YZ -0.00531 -0.00119 -0.00001 -0.00001 0.00037 186 22 H 1S -0.00001 0.00001 0.04828 0.02839 0.00013 187 2S 0.00012 0.00008 -0.49715 0.11684 0.00051 188 23 H 1S -0.00001 0.00000 0.04472 0.00891 0.00005 189 2S -0.00006 -0.00006 0.01747 -0.08203 -0.00038 61 62 63 64 65 V V V V V Eigenvalues -- 0.24789 0.30577 0.31743 0.32866 0.37585 1 1 C 1S 0.01995 -0.04517 -0.06143 -0.01581 0.01482 2 2S -0.01986 0.05050 0.04015 0.03190 -0.00785 3 2PX 0.03741 -0.06471 0.03422 0.03043 0.01095 4 2PY -0.06448 0.19070 -0.04302 0.01175 0.02405 5 2PZ -0.10277 -0.02038 -0.14399 -0.04148 0.04373 6 3S -0.47176 1.31416 2.01156 0.39130 -0.65598 7 3PX 0.21308 -0.24069 0.29172 0.08902 -0.06450 8 3PY -0.25095 1.30166 -0.74291 0.15908 -0.23449 9 3PZ -0.44796 0.07486 -1.18441 -0.20480 0.43590 10 4XX -0.00195 0.00435 0.00309 -0.00270 0.00744 11 4YY 0.01176 -0.02230 0.00823 -0.00181 -0.00672 12 4ZZ -0.00580 0.01556 -0.02129 0.00652 -0.00174 13 4XY -0.00185 -0.00178 0.01163 -0.00157 -0.00108 14 4XZ 0.00624 -0.01613 -0.00158 0.00120 0.01036 15 4YZ 0.00581 -0.00176 -0.03135 -0.00041 -0.00211 16 2 C 1S 0.02259 -0.05271 0.05188 0.01301 -0.00627 17 2S -0.02686 0.06033 -0.04468 0.01096 -0.06160 18 2PX -0.01656 0.16499 0.06289 -0.05349 -0.00466 19 2PY -0.02341 0.03929 -0.12535 0.02927 -0.00237 20 2PZ 0.05200 -0.02397 -0.22905 -0.01011 -0.01481 21 3S -0.61986 1.30278 -1.51960 -0.39118 0.48309 22 3PX 0.00444 0.63325 0.41277 -0.00996 -0.00156 23 3PY -0.09794 0.09449 -0.87533 -0.10805 0.31430 24 3PZ 0.12134 -0.28345 -1.42318 -0.09592 0.19178 25 4XX -0.00045 -0.00791 -0.00035 -0.01060 0.00651 26 4YY -0.01374 0.01971 -0.00195 0.00875 -0.00471 27 4ZZ 0.01529 -0.01835 0.00956 0.00543 -0.00785 28 4XY -0.01026 -0.00893 -0.00473 -0.01042 -0.01102 29 4XZ -0.00452 0.01094 0.00359 -0.00041 0.00052 30 4YZ 0.00072 0.01671 0.01763 0.00294 -0.00668 31 3 C 1S -0.02261 0.05271 0.05188 -0.01301 0.00626 32 2S 0.02687 -0.06034 -0.04467 -0.01095 0.06161 33 2PX 0.01665 -0.16501 0.06287 0.05346 0.00466 34 2PY -0.02358 0.03924 0.12542 0.02927 -0.00237 35 2PZ -0.05210 0.02396 -0.22903 0.01018 0.01486 36 3S 0.62021 -1.30282 -1.51948 0.39137 -0.48285 37 3PX -0.00405 -0.63327 0.41259 0.00996 0.00138 38 3PY -0.09876 0.09425 0.87572 -0.10819 0.31422 39 3PZ -0.12167 0.28344 -1.42299 0.09615 -0.19152 40 4XX 0.00045 0.00791 -0.00035 0.01061 -0.00651 41 4YY 0.01373 -0.01972 -0.00194 -0.00875 0.00471 42 4ZZ -0.01530 0.01836 0.00955 -0.00543 0.00785 43 4XY -0.01027 -0.00892 0.00473 -0.01042 -0.01102 44 4XZ 0.00451 -0.01095 0.00360 0.00040 -0.00053 45 4YZ 0.00073 0.01669 -0.01763 0.00294 -0.00668 46 4 C 1S -0.01996 0.04517 -0.06143 0.01582 -0.01481 47 2S 0.01987 -0.05050 0.04014 -0.03190 0.00785 48 2PX -0.03744 0.06466 0.03419 -0.03043 -0.01096 49 2PY -0.06444 0.19071 0.04305 0.01173 0.02407 50 2PZ 0.10285 0.02042 -0.14398 0.04150 -0.04373 51 3S 0.47204 -1.31409 2.01160 -0.39163 0.65567 52 3PX -0.21323 0.24044 0.29146 -0.08911 0.06451 53 3PY -0.25081 1.30177 0.74317 0.15887 -0.23450 54 3PZ 0.44828 -0.07459 -1.18424 0.20503 -0.43577 55 4XX 0.00195 -0.00435 0.00310 0.00270 -0.00744 56 4YY -0.01177 0.02230 0.00821 0.00181 0.00672 57 4ZZ 0.00582 -0.01556 -0.02128 -0.00652 0.00175 58 4XY -0.00184 -0.00179 -0.01164 -0.00157 -0.00108 59 4XZ -0.00625 0.01613 -0.00159 -0.00120 -0.01036 60 4YZ 0.00581 -0.00175 0.03136 -0.00042 -0.00212 61 5 H 1S -0.02292 0.06791 0.08768 -0.00285 -0.02645 62 2S 0.45931 0.17250 0.19513 0.12660 -0.18596 63 6 H 1S 0.02295 -0.06791 0.08769 0.00283 0.02645 64 2S -0.45995 -0.17253 0.19510 -0.12661 0.18596 65 7 C 1S 0.04397 0.01574 -0.00554 -0.01645 -0.10929 66 2S -0.08045 -0.02064 0.02752 -0.02447 0.10567 67 2PX 0.05161 0.03567 -0.00337 0.14074 -0.11454 68 2PY -0.00206 -0.01256 0.01337 0.23685 0.16474 69 2PZ 0.11184 0.08272 -0.03870 -0.09509 0.24878 70 3S -0.76704 -0.31121 0.13441 1.23587 2.60536 71 3PX -0.10678 -0.13949 0.05305 0.67967 -1.08484 72 3PY -0.16427 -0.05987 -0.08651 1.77547 1.84316 73 3PZ 0.44608 0.23756 -0.00797 -0.36187 1.04352 74 4XX 0.00363 0.00040 0.00157 0.00172 0.01135 75 4YY 0.00764 0.00533 0.00592 -0.02372 -0.02631 76 4ZZ -0.00130 0.00168 -0.00284 0.00711 0.00870 77 4XY -0.00036 0.00089 -0.00608 -0.00492 -0.00248 78 4XZ -0.00694 -0.00197 -0.00531 -0.01626 0.01081 79 4YZ -0.00414 -0.00114 -0.00177 -0.00045 -0.00496 80 8 C 1S -0.04397 -0.01574 -0.00553 0.01644 0.10929 81 2S 0.08046 0.02065 0.02751 0.02448 -0.10565 82 2PX -0.05161 -0.03568 -0.00339 -0.14076 0.11453 83 2PY -0.00201 -0.01253 -0.01331 0.23687 0.16478 84 2PZ -0.11190 -0.08274 -0.03872 0.09518 -0.24873 85 3S 0.76725 0.31130 0.13402 -1.23589 -2.60535 86 3PX 0.10678 0.13948 0.05303 -0.67964 1.08484 87 3PY -0.16406 -0.05978 0.08695 1.77537 1.84342 88 3PZ -0.44627 -0.23761 -0.00799 0.36231 -1.04297 89 4XX -0.00363 -0.00040 0.00157 -0.00172 -0.01134 90 4YY -0.00763 -0.00533 0.00593 0.02371 0.02631 91 4ZZ 0.00130 -0.00168 -0.00284 -0.00711 -0.00871 92 4XY -0.00037 0.00089 0.00608 -0.00492 -0.00248 93 4XZ 0.00694 0.00197 -0.00531 0.01626 -0.01081 94 4YZ -0.00413 -0.00114 0.00177 -0.00045 -0.00496 95 9 H 1S 0.06994 -0.07947 -0.02800 -0.03990 0.00380 96 2S 0.00803 0.10520 -0.41952 -0.12468 -0.15017 97 10 H 1S -0.06993 0.07948 -0.02801 0.03990 -0.00379 98 2S -0.00718 -0.10514 -0.41949 0.12467 0.15016 99 11 C 1S 0.01095 -0.01792 0.01192 0.00336 0.00384 100 2S -0.00009 0.02396 -0.00977 0.00580 -0.01644 101 2PX 0.12723 -0.09751 0.00802 -0.07066 0.00512 102 2PY -0.19876 0.14027 -0.07224 -0.04719 -0.02481 103 2PZ 0.18132 0.24952 -0.03180 0.02268 0.02770 104 3S -0.25321 0.27013 -0.49718 -0.19205 0.07190 105 3PX 0.65379 -0.41293 0.11301 -0.05743 0.02042 106 3PY -0.70999 0.52202 -0.29486 -0.22121 -0.12657 107 3PZ 0.61556 1.00784 0.12922 0.02507 0.17227 108 4XX 0.00762 0.00338 -0.00197 -0.01236 0.00457 109 4YY -0.01257 0.00850 0.01260 -0.00219 -0.00102 110 4ZZ 0.01055 -0.01302 -0.01021 0.01119 0.00075 111 4XY 0.00379 -0.00258 -0.02351 -0.00266 -0.00149 112 4XZ -0.00331 0.01072 0.00382 -0.00301 -0.00017 113 4YZ 0.00445 0.00441 0.00493 0.00142 -0.00077 114 12 H 1S 0.06264 -0.00500 -0.03234 0.04676 0.00195 115 2S 1.30620 0.62463 0.18524 0.23516 0.19381 116 13 H 1S -0.00580 0.01384 -0.04457 -0.02866 0.01232 117 2S -0.47103 -0.15891 0.07157 0.25759 -0.02317 118 14 C 1S -0.01091 0.01793 0.01192 -0.00336 -0.00384 119 2S 0.00006 -0.02396 -0.00977 -0.00579 0.01644 120 2PX -0.12711 0.09747 0.00802 0.07067 -0.00512 121 2PY -0.19875 0.14034 0.07220 -0.04719 -0.02482 122 2PZ -0.18136 -0.24948 -0.03180 -0.02268 -0.02769 123 3S 0.25247 -0.27023 -0.49709 0.19217 -0.07187 124 3PX -0.65311 0.41286 0.11293 0.05739 -0.02038 125 3PY -0.70989 0.52233 0.29470 -0.22125 -0.12657 126 3PZ -0.61602 -1.00771 0.12928 -0.02511 -0.17227 127 4XX -0.00761 -0.00338 -0.00198 0.01236 -0.00457 128 4YY 0.01256 -0.00850 0.01262 0.00219 0.00102 129 4ZZ -0.01054 0.01302 -0.01021 -0.01118 -0.00075 130 4XY 0.00378 -0.00258 0.02351 -0.00267 -0.00149 131 4XZ 0.00329 -0.01072 0.00383 0.00301 0.00017 132 4YZ 0.00446 0.00441 -0.00493 0.00142 -0.00077 133 15 H 1S -0.06265 0.00502 -0.03236 -0.04676 -0.00194 134 2S -1.30601 -0.62455 0.18510 -0.23517 -0.19378 135 16 H 1S 0.00576 -0.01385 -0.04456 0.02868 -0.01231 136 2S 0.47090 0.15892 0.07146 -0.25758 0.02316 137 17 H 1S -0.03619 -0.02345 0.00051 -0.04911 0.07987 138 2S -0.69447 -0.35908 -0.21831 -0.30139 -1.11712 139 18 H 1S 0.03617 0.02344 0.00051 0.04909 -0.07988 140 2S 0.69410 0.35895 -0.21811 0.30141 1.11721 141 19 O 1S -0.00148 0.00156 0.00071 -0.02052 0.03943 142 2S 0.01866 0.01698 -0.00101 0.05547 -0.02452 143 2PX 0.00888 0.00540 0.00416 0.21012 -0.19609 144 2PY 0.03114 -0.00188 -0.01645 -0.07453 -0.00620 145 2PZ -0.03825 -0.00243 -0.01077 -0.13829 0.12039 146 3S -0.05965 -0.10212 -0.02477 0.19570 -0.93438 147 3PX -0.05483 -0.04174 -0.00463 0.50969 -0.38659 148 3PY 0.02179 0.00087 0.00413 -0.20639 -0.29360 149 3PZ -0.02750 0.00810 -0.00107 -0.33756 0.26316 150 4XX 0.00186 0.00650 -0.00257 0.00338 0.01617 151 4YY 0.00868 0.00745 0.00171 -0.00974 0.00150 152 4ZZ -0.00263 0.00356 0.00178 0.00277 0.02686 153 4XY -0.00533 0.00117 0.00085 0.02203 0.02847 154 4XZ 0.00537 0.00134 0.00107 0.00176 0.01163 155 4YZ 0.00365 0.00513 -0.00050 -0.01349 -0.00895 156 20 O 1S 0.00148 -0.00156 0.00071 0.02053 -0.03944 157 2S -0.01864 -0.01699 -0.00101 -0.05548 0.02452 158 2PX -0.00886 -0.00541 0.00415 -0.21014 0.19608 159 2PY 0.03111 -0.00189 0.01645 -0.07454 -0.00619 160 2PZ 0.03829 0.00243 -0.01076 0.13828 -0.12036 161 3S 0.05972 0.10212 -0.02473 -0.19591 0.93445 162 3PX 0.05483 0.04172 -0.00466 -0.50968 0.38654 163 3PY 0.02172 0.00085 -0.00418 -0.20639 -0.29362 164 3PZ 0.02755 -0.00808 -0.00104 0.33749 -0.26318 165 4XX -0.00186 -0.00650 -0.00257 -0.00338 -0.01617 166 4YY -0.00868 -0.00745 0.00171 0.00974 -0.00150 167 4ZZ 0.00263 -0.00356 0.00178 -0.00277 -0.02687 168 4XY -0.00533 0.00117 -0.00085 0.02202 0.02848 169 4XZ -0.00538 -0.00134 0.00106 -0.00175 -0.01163 170 4YZ 0.00365 0.00513 0.00050 -0.01348 -0.00894 171 21 C 1S 0.00001 0.00000 -0.00291 -0.00001 0.00001 172 2S 0.00000 0.00000 -0.00490 -0.00001 0.00000 173 2PX 0.00001 0.00000 0.00338 0.00000 -0.00001 174 2PY -0.02140 0.00190 0.00001 -0.03260 0.34541 175 2PZ -0.00001 0.00001 -0.00928 -0.00001 0.00004 176 3S -0.00011 -0.00004 0.02546 0.00019 -0.00013 177 3PX -0.00004 -0.00001 0.04980 0.00014 -0.00008 178 3PY 0.08068 0.01691 -0.00006 -0.94177 -0.13295 179 3PZ -0.00002 0.00001 -0.02527 -0.00014 0.00002 180 4XX 0.00000 0.00000 -0.00108 0.00000 0.00000 181 4YY 0.00000 0.00000 -0.00498 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00101 0.00000 0.00000 183 4XY -0.00121 0.00071 0.00000 0.01231 -0.02169 184 4XZ 0.00000 0.00000 0.00178 0.00000 -0.00001 185 4YZ 0.00467 -0.00091 0.00000 0.00450 0.00611 186 22 H 1S 0.00001 0.00000 0.00405 0.00000 -0.00001 187 2S 0.00008 0.00000 0.02603 0.00000 0.00001 188 23 H 1S 0.00000 0.00000 0.00936 0.00001 -0.00002 189 2S 0.00000 0.00002 0.00360 -0.00002 0.00002 66 67 68 69 70 V V V V V Eigenvalues -- 0.43552 0.47078 0.48268 0.48732 0.50574 1 1 C 1S 0.09086 -0.00823 0.03933 -0.01128 -0.00343 2 2S -0.02617 -0.05817 -0.01519 -0.16090 -0.30053 3 2PX -0.08712 0.17994 -0.01924 0.17622 -0.01681 4 2PY -0.17884 0.04516 0.21592 -0.25580 0.10609 5 2PZ 0.06271 0.12353 0.19495 -0.07027 0.17612 6 3S -3.40740 0.14721 -1.77266 0.42097 0.32212 7 3PX -0.60463 -0.14798 -0.49551 -0.19965 0.03223 8 3PY -2.40461 -0.16143 1.52071 0.30077 -0.17427 9 3PZ 1.28330 -0.14841 2.38754 0.03197 -0.18776 10 4XX -0.00366 0.00115 -0.00032 0.00930 0.00716 11 4YY 0.01032 0.00336 -0.02151 -0.05326 -0.02521 12 4ZZ -0.00674 -0.02075 0.01180 0.00062 -0.04693 13 4XY 0.00265 0.00772 0.00232 -0.00504 0.00581 14 4XZ 0.00371 0.00284 0.00768 0.00927 0.02640 15 4YZ -0.01067 -0.01670 -0.00623 0.02106 -0.00615 16 2 C 1S -0.07624 0.00678 -0.04853 0.01038 -0.00188 17 2S 0.06357 -0.11353 -0.00607 0.03888 -0.02981 18 2PX 0.08874 0.10276 -0.12975 -0.14263 0.01789 19 2PY 0.12641 -0.06459 0.06705 0.04981 0.03008 20 2PZ -0.16752 -0.08946 0.11051 0.09112 -0.30093 21 3S 2.15780 -0.01160 2.35277 -0.27950 -0.19141 22 3PX 0.72250 -0.04354 -0.78417 0.34855 -0.10202 23 3PY 1.79920 0.04489 1.08170 -0.25073 -0.14292 24 3PZ -0.25965 0.15643 2.28365 -0.26752 0.48161 25 4XX -0.00392 -0.01018 0.01327 -0.00327 0.02658 26 4YY -0.00237 0.00729 0.00984 -0.00008 -0.00479 27 4ZZ 0.01307 -0.00746 -0.02340 0.01635 -0.01567 28 4XY -0.00539 -0.00749 0.00470 -0.01587 0.01495 29 4XZ -0.00925 0.01512 -0.01107 0.01680 0.00323 30 4YZ -0.01644 -0.01782 -0.01281 0.02505 -0.02606 31 3 C 1S 0.07624 0.00676 0.04854 0.01034 -0.00191 32 2S -0.06355 -0.11356 0.00603 0.03892 -0.02977 33 2PX -0.08879 0.10269 0.12970 -0.14272 0.01778 34 2PY 0.12634 0.06459 0.06710 -0.04991 -0.03005 35 2PZ 0.16753 -0.08942 -0.11065 0.09111 -0.30090 36 3S -2.15783 -0.01037 -2.35298 -0.27811 -0.19027 37 3PX -0.72283 -0.04410 0.78398 0.34818 -0.10221 38 3PY 1.79895 -0.04542 1.08245 0.25010 0.14217 39 3PZ 0.26005 0.15771 -2.28322 -0.26606 0.48271 40 4XX 0.00392 -0.01018 -0.01327 -0.00327 0.02660 41 4YY 0.00238 0.00730 -0.00983 -0.00005 -0.00480 42 4ZZ -0.01308 -0.00747 0.02340 0.01633 -0.01567 43 4XY -0.00539 0.00748 0.00469 0.01586 -0.01494 44 4XZ 0.00925 0.01511 0.01109 0.01680 0.00322 45 4YZ -0.01643 0.01783 -0.01281 -0.02504 0.02607 46 4 C 1S -0.09086 -0.00822 -0.03935 -0.01125 -0.00340 47 2S 0.02615 -0.05817 0.01498 -0.16093 -0.30056 48 2PX 0.08717 0.17997 0.01942 0.17618 -0.01683 49 2PY -0.17879 -0.04528 0.21604 0.25571 -0.10622 50 2PZ -0.06274 0.12363 -0.19479 -0.07008 0.17619 51 3S 3.40742 0.14647 1.77297 0.41973 0.32106 52 3PX 0.60508 -0.14828 0.49493 -0.19996 0.03191 53 3PY -2.40421 0.16044 1.52131 -0.30147 0.17383 54 3PZ -1.28384 -0.14713 -2.38732 0.03337 -0.18652 55 4XX 0.00366 0.00116 0.00033 0.00930 0.00716 56 4YY -0.01032 0.00333 0.02148 -0.05327 -0.02523 57 4ZZ 0.00674 -0.02074 -0.01183 0.00061 -0.04692 58 4XY 0.00265 -0.00772 0.00231 0.00505 -0.00581 59 4XZ -0.00370 0.00284 -0.00766 0.00928 0.02640 60 4YZ -0.01068 0.01671 -0.00622 -0.02107 0.00616 61 5 H 1S 0.04302 -0.00056 0.03501 -0.10835 -0.10303 62 2S -0.99325 -0.08087 -0.48808 -0.02937 -0.04151 63 6 H 1S -0.04303 -0.00056 -0.03511 -0.10836 -0.10301 64 2S 0.99324 -0.08110 0.48800 -0.02975 -0.04182 65 7 C 1S 0.01374 -0.00814 0.01267 0.00984 0.01873 66 2S -0.03207 -0.19203 -0.08240 0.04572 -0.10559 67 2PX 0.05426 -0.08918 0.13655 -0.15309 0.04675 68 2PY 0.01518 -0.31214 0.03317 0.03254 0.15513 69 2PZ -0.00713 0.19945 -0.03010 -0.18402 -0.25126 70 3S -0.22174 0.04048 0.02822 -0.00051 0.07826 71 3PX -0.07279 0.10072 -0.13414 0.26862 -0.00664 72 3PY -0.00501 0.39992 0.15575 -0.11769 -0.13892 73 3PZ 0.00631 -0.28617 0.04613 0.14204 0.28006 74 4XX -0.00093 0.01306 -0.01043 0.01253 -0.01139 75 4YY -0.00051 -0.06762 -0.00206 0.00047 -0.00391 76 4ZZ 0.00005 0.01000 0.00934 0.00677 0.01966 77 4XY 0.00125 0.00022 0.00383 -0.00750 0.01783 78 4XZ -0.00356 0.03392 -0.00250 -0.01448 -0.01266 79 4YZ -0.00073 0.00279 -0.00340 0.01021 -0.00186 80 8 C 1S -0.01374 -0.00812 -0.01265 0.00985 0.01874 81 2S 0.03211 -0.19205 0.08232 0.04563 -0.10566 82 2PX -0.05429 -0.08905 -0.13668 -0.15301 0.04677 83 2PY 0.01515 0.31210 0.03320 -0.03253 -0.15504 84 2PZ 0.00710 0.19949 0.03002 -0.18407 -0.25127 85 3S 0.22174 0.04018 -0.02823 -0.00036 0.07829 86 3PX 0.07285 0.10072 0.13440 0.26859 -0.00658 87 3PY -0.00498 -0.39985 0.15572 0.11756 0.13888 88 3PZ -0.00629 -0.28643 -0.04608 0.14219 0.28012 89 4XX 0.00092 0.01306 0.01044 0.01253 -0.01140 90 4YY 0.00052 -0.06762 0.00204 0.00047 -0.00391 91 4ZZ -0.00005 0.01001 -0.00933 0.00677 0.01965 92 4XY 0.00125 -0.00023 0.00384 0.00750 -0.01784 93 4XZ 0.00355 0.03391 0.00250 -0.01448 -0.01265 94 4YZ -0.00073 -0.00281 -0.00340 -0.01021 0.00185 95 9 H 1S 0.08707 0.05098 -0.03836 -0.01638 -0.04426 96 2S -0.73445 0.00403 -0.27729 -0.04333 -0.05315 97 10 H 1S -0.08706 0.05094 0.03838 -0.01641 -0.04427 98 2S 0.73450 0.00391 0.27728 -0.04356 -0.05333 99 11 C 1S -0.05513 -0.00112 -0.01134 0.00270 0.00002 100 2S -0.01997 -0.05976 0.00337 -0.03141 -0.02587 101 2PX -0.10090 0.13087 0.11114 0.09588 -0.10962 102 2PY 0.03742 0.13591 -0.20406 -0.18391 0.18495 103 2PZ 0.04931 0.07618 -0.06181 -0.08309 -0.07395 104 3S 1.77130 0.12263 0.10759 -0.00977 0.18509 105 3PX -1.19933 -0.12365 0.31838 -0.10222 0.06924 106 3PY -0.28979 -0.11868 -1.16079 0.16173 -0.20077 107 3PZ 1.29970 -0.12797 0.01340 0.13423 0.09837 108 4XX -0.01214 0.02857 0.02014 -0.00501 -0.00667 109 4YY 0.00251 -0.02827 -0.00834 0.02650 -0.03810 110 4ZZ 0.00424 -0.01172 -0.01228 -0.02124 0.04464 111 4XY -0.00209 0.01470 -0.00866 0.00408 -0.02389 112 4XZ 0.02779 0.00252 0.00736 0.01477 -0.02430 113 4YZ -0.00110 0.01623 0.00117 -0.00475 -0.00338 114 12 H 1S 0.06896 -0.07657 -0.05930 -0.02482 0.12950 115 2S 0.25755 -0.03266 0.21482 0.05785 -0.04967 116 13 H 1S 0.04493 0.11382 0.06261 0.00735 -0.11363 117 2S 0.28598 -0.09334 -0.03040 -0.03075 0.04431 118 14 C 1S 0.05513 -0.00113 0.01134 0.00269 0.00001 119 2S 0.01997 -0.05975 -0.00342 -0.03140 -0.02587 120 2PX 0.10087 0.13099 -0.11104 0.09589 -0.10955 121 2PY 0.03745 -0.13576 -0.20416 0.18405 -0.18488 122 2PZ -0.04930 0.07612 0.06178 -0.08310 -0.07399 123 3S -1.77136 0.12262 -0.10748 -0.00957 0.18525 124 3PX 1.19948 -0.12352 -0.31817 -0.10209 0.06930 125 3PY -0.28922 0.11933 -1.16080 -0.16105 0.20133 126 3PZ -1.29973 -0.12805 -0.01360 0.13432 0.09856 127 4XX 0.01214 0.02858 -0.02012 -0.00500 -0.00667 128 4YY -0.00252 -0.02828 0.00832 0.02649 -0.03809 129 4ZZ -0.00424 -0.01173 0.01228 -0.02125 0.04463 130 4XY -0.00207 -0.01468 -0.00867 -0.00409 0.02391 131 4XZ -0.02779 0.00252 -0.00737 0.01478 -0.02430 132 4YZ -0.00110 -0.01623 0.00117 0.00476 0.00336 133 15 H 1S -0.06894 -0.07660 0.05930 -0.02485 0.12948 134 2S -0.25756 -0.03258 -0.21479 0.05798 -0.04949 135 16 H 1S -0.04496 0.11386 -0.06258 0.00740 -0.11361 136 2S -0.28595 -0.09333 0.03036 -0.03073 0.04431 137 17 H 1S -0.02025 -0.12541 -0.04234 0.08172 0.11493 138 2S -0.14686 0.00100 -0.22682 -0.14810 0.09055 139 18 H 1S 0.02028 -0.12548 0.04238 0.08169 0.11492 140 2S 0.14681 0.00102 0.22672 -0.14825 0.09043 141 19 O 1S -0.00431 0.01240 -0.00557 -0.00026 -0.00861 142 2S 0.03215 -0.00217 0.01301 0.08490 0.06228 143 2PX 0.06332 -0.10443 0.05496 -0.05983 -0.02801 144 2PY -0.01036 0.06616 -0.01691 0.04711 0.10932 145 2PZ -0.00577 0.02804 -0.03823 -0.08027 -0.14348 146 3S -0.00768 -0.31770 0.07885 -0.41183 -0.20970 147 3PX 0.03928 0.07196 0.01409 -0.03379 -0.02314 148 3PY -0.00047 -0.28070 0.00106 -0.14214 -0.05490 149 3PZ -0.02362 0.03023 -0.01581 -0.09144 -0.03179 150 4XX 0.00494 0.03484 0.00568 0.01420 -0.00663 151 4YY 0.01062 -0.06146 0.00713 -0.01550 -0.00577 152 4ZZ 0.00236 0.03797 -0.01301 0.04760 0.01191 153 4XY -0.00459 0.02823 -0.02218 0.02602 0.00351 154 4XZ -0.00106 0.00411 0.00738 0.01173 0.03732 155 4YZ 0.00453 -0.01169 0.01164 -0.00596 0.00326 156 20 O 1S 0.00431 0.01239 0.00557 -0.00026 -0.00861 157 2S -0.03215 -0.00215 -0.01292 0.08494 0.06226 158 2PX -0.06333 -0.10437 -0.05505 -0.05975 -0.02799 159 2PY -0.01035 -0.06618 -0.01702 -0.04708 -0.10925 160 2PZ 0.00575 0.02798 0.03813 -0.08031 -0.14351 161 3S 0.00764 -0.31762 -0.07940 -0.41192 -0.20957 162 3PX -0.03929 0.07208 -0.01405 -0.03375 -0.02317 163 3PY -0.00047 0.28070 0.00135 0.14220 0.05488 164 3PZ 0.02359 0.03023 0.01574 -0.09143 -0.03178 165 4XX -0.00494 0.03484 -0.00566 0.01420 -0.00662 166 4YY -0.01062 -0.06146 -0.00718 -0.01549 -0.00577 167 4ZZ -0.00236 0.03797 0.01307 0.04761 0.01190 168 4XY -0.00460 -0.02823 -0.02221 -0.02601 -0.00349 169 4XZ 0.00106 0.00411 -0.00737 0.01173 0.03731 170 4YZ 0.00453 0.01166 0.01164 0.00594 -0.00327 171 21 C 1S 0.00000 0.00507 0.00000 0.00298 0.01419 172 2S -0.00001 -0.28771 -0.00018 -0.24094 -0.11615 173 2PX -0.00002 -0.37677 -0.00031 -0.46272 -0.23495 174 2PY -0.07962 -0.00002 -0.21608 0.00004 0.00012 175 2PZ -0.00002 0.16368 0.00000 -0.04646 -0.07759 176 3S 0.00004 0.77687 0.00047 0.56225 0.14356 177 3PX 0.00007 0.81105 0.00070 1.06140 0.33935 178 3PY 0.00701 0.00014 0.25588 0.00003 -0.00018 179 3PZ 0.00003 -0.35854 0.00000 0.13599 0.27209 180 4XX 0.00000 -0.02731 0.00000 0.00531 0.01895 181 4YY 0.00000 0.04092 0.00002 0.01631 0.01108 182 4ZZ 0.00000 -0.00172 -0.00001 -0.02061 -0.01367 183 4XY 0.00517 -0.00001 0.01082 -0.00001 -0.00001 184 4XZ 0.00000 0.00233 0.00001 0.03194 0.00194 185 4YZ -0.00291 0.00000 0.00304 0.00001 0.00001 186 22 H 1S -0.00001 0.03607 -0.00001 -0.06192 -0.02967 187 2S -0.00001 0.02047 -0.00003 -0.03634 -0.12336 188 23 H 1S 0.00002 -0.00252 0.00010 0.19722 0.08021 189 2S 0.00001 0.02736 0.00010 0.20376 0.12778 71 72 73 74 75 V V V V V Eigenvalues -- 0.53041 0.53411 0.54682 0.57017 0.57365 1 1 C 1S -0.00564 0.00198 -0.00158 -0.01611 -0.03649 2 2S 0.24048 0.12040 0.02485 0.08117 -0.12742 3 2PX 0.24229 0.12690 -0.08503 0.17300 -0.16625 4 2PY 0.09156 0.12652 -0.01581 -0.25057 0.29886 5 2PZ -0.05659 0.02619 -0.08679 -0.04496 0.04126 6 3S -0.30103 -0.10691 0.15459 -0.03459 0.75118 7 3PX -0.16676 -0.13495 0.20821 -0.08717 0.26192 8 3PY -0.12942 -0.17915 -0.16471 0.26667 -0.29087 9 3PZ 0.14530 -0.02257 -0.23862 -0.02203 -0.61185 10 4XX -0.00140 -0.00624 0.00006 0.00761 0.02765 11 4YY 0.04611 0.03432 0.00232 -0.01838 -0.06993 12 4ZZ -0.01633 0.00038 0.00636 0.00428 -0.01066 13 4XY 0.00379 0.00183 0.00230 0.02934 0.00356 14 4XZ 0.00865 0.01229 0.00540 -0.01520 0.02860 15 4YZ 0.03571 0.00752 0.00001 -0.03008 -0.00756 16 2 C 1S 0.00181 0.00640 0.01238 0.03624 -0.00186 17 2S 0.08207 0.08044 -0.01304 -0.00521 -0.09637 18 2PX 0.14739 -0.04213 -0.06973 0.05093 -0.06575 19 2PY 0.00078 0.05712 -0.00174 -0.18364 0.07604 20 2PZ 0.09218 -0.06529 -0.01912 0.08084 -0.33008 21 3S 0.22407 -0.11345 -0.40052 0.12300 -0.98691 22 3PX -0.20492 0.20552 0.15665 -0.10526 0.16688 23 3PY 0.25355 -0.02771 -0.21112 0.22030 -0.74804 24 3PZ -0.09964 0.20496 -0.23149 -0.34089 0.27227 25 4XX 0.01059 0.00344 -0.00585 -0.03071 0.03509 26 4YY -0.03744 0.00006 0.00460 0.05799 -0.03431 27 4ZZ 0.04555 0.02363 0.00109 0.01569 -0.03991 28 4XY 0.02720 0.00449 -0.01740 0.03786 -0.04095 29 4XZ -0.03809 -0.01299 0.00015 -0.04592 0.04316 30 4YZ -0.00367 -0.02369 0.00347 0.01377 0.00832 31 3 C 1S 0.00179 0.00641 -0.01238 0.03622 0.00192 32 2S 0.08207 0.08045 0.01309 -0.00544 0.09623 33 2PX 0.14743 -0.04213 0.06963 0.05102 0.06598 34 2PY -0.00075 -0.05712 -0.00182 0.18352 0.07636 35 2PZ 0.09226 -0.06537 0.01903 0.08033 0.33027 36 3S 0.22471 -0.11387 0.40031 0.12148 0.98729 37 3PX -0.20507 0.20562 -0.15640 -0.10523 -0.16712 38 3PY -0.25395 0.02792 -0.21098 -0.21900 -0.74834 39 3PZ -0.09944 0.20484 0.23165 -0.34049 -0.27303 40 4XX 0.01060 0.00344 0.00586 -0.03063 -0.03514 41 4YY -0.03745 0.00005 -0.00460 0.05790 0.03440 42 4ZZ 0.04555 0.02363 -0.00109 0.01561 0.03993 43 4XY -0.02720 -0.00448 -0.01740 -0.03780 -0.04101 44 4XZ -0.03811 -0.01300 -0.00014 -0.04584 -0.04323 45 4YZ 0.00364 0.02368 0.00348 -0.01378 0.00828 46 4 C 1S -0.00563 0.00197 0.00159 -0.01618 0.03645 47 2S 0.24049 0.12039 -0.02491 0.08089 0.12742 48 2PX 0.24237 0.12692 0.08483 0.17277 0.16665 49 2PY -0.09149 -0.12651 -0.01591 0.25006 0.29944 50 2PZ -0.05656 0.02614 0.08681 -0.04473 -0.04121 51 3S -0.30146 -0.10667 -0.15448 -0.03320 -0.75114 52 3PX -0.16696 -0.13489 -0.20805 -0.08678 -0.26210 53 3PY 0.12916 0.17928 -0.16469 -0.26619 -0.29166 54 3PZ 0.14578 -0.02280 0.23853 -0.02325 0.61171 55 4XX -0.00140 -0.00623 -0.00006 0.00767 -0.02762 56 4YY 0.04613 0.03432 -0.00231 -0.01853 0.06988 57 4ZZ -0.01635 0.00037 -0.00635 0.00426 0.01066 58 4XY -0.00380 -0.00184 0.00231 -0.02933 0.00349 59 4XZ 0.00865 0.01230 -0.00540 -0.01517 -0.02862 60 4YZ -0.03570 -0.00750 0.00002 0.03008 -0.00748 61 5 H 1S -0.12796 -0.05371 0.01341 0.12764 -0.16202 62 2S 0.09604 0.02639 0.10859 -0.04069 0.09919 63 6 H 1S -0.12794 -0.05373 -0.01340 0.12733 0.16224 64 2S 0.09592 0.02646 -0.10862 -0.04053 -0.09930 65 7 C 1S 0.01558 -0.00732 -0.05308 0.00443 -0.01016 66 2S 0.06310 0.23116 0.12359 0.14763 -0.21232 67 2PX 0.21071 -0.38941 -0.16959 0.11883 -0.05103 68 2PY 0.15268 0.00976 0.03923 -0.07945 0.12203 69 2PZ 0.00133 -0.07388 0.09131 0.01564 -0.24521 70 3S 0.01023 -0.30004 1.13730 -0.45029 0.77783 71 3PX -0.16755 0.49311 -0.11936 -0.18217 -0.01630 72 3PY -0.29001 0.00543 0.91175 0.28423 0.03924 73 3PZ -0.11893 0.05439 0.34794 -0.00842 0.69121 74 4XX 0.00589 -0.01554 -0.01097 -0.02034 0.00931 75 4YY 0.01911 0.03914 0.00178 0.01235 -0.02745 76 4ZZ 0.00676 -0.00920 -0.00147 0.03424 -0.00806 77 4XY 0.01446 -0.04170 0.01512 0.02007 0.00521 78 4XZ -0.01460 -0.00765 0.02099 -0.00391 -0.00569 79 4YZ -0.01266 0.03252 -0.01287 0.03676 0.00160 80 8 C 1S 0.01561 -0.00735 0.05308 0.00440 0.01016 81 2S 0.06308 0.23112 -0.12338 0.14726 0.21247 82 2PX 0.21080 -0.38940 0.16925 0.11883 0.05118 83 2PY -0.15261 -0.00987 0.03917 0.07897 0.12215 84 2PZ 0.00132 -0.07389 -0.09135 0.01510 0.24512 85 3S 0.00954 -0.29903 -1.13751 -0.44920 -0.77869 86 3PX -0.16753 0.49283 0.11983 -0.18233 0.01586 87 3PY 0.29039 -0.00595 0.91197 -0.28389 0.03871 88 3PZ -0.11919 0.05482 -0.34761 -0.00739 -0.69109 89 4XX 0.00589 -0.01553 0.01096 -0.02031 -0.00936 90 4YY 0.01912 0.03914 -0.00173 0.01227 0.02745 91 4ZZ 0.00676 -0.00920 0.00144 0.03423 0.00812 92 4XY -0.01444 0.04169 0.01515 -0.02008 0.00517 93 4XZ -0.01461 -0.00764 -0.02099 -0.00393 0.00570 94 4YZ 0.01266 -0.03250 -0.01289 -0.03677 0.00155 95 9 H 1S -0.12420 -0.02836 -0.01480 0.33742 0.17988 96 2S 0.21046 0.09000 0.04625 -0.05274 0.22137 97 10 H 1S -0.12423 -0.02835 0.01480 0.33779 -0.17925 98 2S 0.21036 0.09006 -0.04634 -0.05236 -0.22159 99 11 C 1S -0.00371 -0.00176 0.00776 -0.00967 -0.00365 100 2S 0.16902 0.03766 -0.02050 0.09797 0.18367 101 2PX -0.24019 0.03395 -0.04976 -0.27585 -0.23652 102 2PY -0.06808 0.12028 0.04407 0.26254 -0.02320 103 2PZ 0.31607 0.21591 0.03901 0.08048 0.24412 104 3S -0.22602 -0.07138 -0.06310 -0.35818 -0.84438 105 3PX 0.27790 -0.07983 0.11510 0.36280 0.57266 106 3PY 0.09035 -0.17327 0.08159 -0.35903 0.36779 107 3PZ -0.34687 -0.29578 -0.08850 -0.02435 -0.63980 108 4XX 0.00586 0.04766 -0.01008 0.00005 0.01471 109 4YY 0.03996 -0.01688 0.00311 -0.02774 -0.00237 110 4ZZ -0.01976 -0.02365 0.00547 0.01840 -0.00923 111 4XY -0.00557 0.01682 0.00019 0.01246 0.00699 112 4XZ -0.02069 0.00016 -0.00984 0.00232 0.00234 113 4YZ 0.01691 0.03140 0.00037 -0.03901 -0.00757 114 12 H 1S -0.14571 -0.15817 0.01565 0.11134 -0.09401 115 2S 0.08335 0.04401 0.01416 0.02280 -0.12915 116 13 H 1S -0.01788 0.14798 -0.02509 0.01409 0.05045 117 2S 0.03859 -0.08092 0.01899 -0.02929 -0.08267 118 14 C 1S -0.00372 -0.00176 -0.00776 -0.00968 0.00364 119 2S 0.16900 0.03766 0.02044 0.09836 -0.18355 120 2PX -0.24018 0.03396 0.04989 -0.27623 0.23613 121 2PY 0.06801 -0.12032 0.04390 -0.26255 -0.02350 122 2PZ 0.31599 0.21592 -0.03907 0.08087 -0.24401 123 3S -0.22582 -0.07149 0.06314 -0.35979 0.84388 124 3PX 0.27787 -0.07984 -0.11532 0.36369 -0.57224 125 3PY -0.09004 0.17319 0.08183 0.35842 0.36808 126 3PZ -0.34673 -0.29583 0.08857 -0.02536 0.63989 127 4XX 0.00587 0.04767 0.01011 0.00009 -0.01472 128 4YY 0.03996 -0.01688 -0.00316 -0.02776 0.00233 129 4ZZ -0.01977 -0.02366 -0.00546 0.01840 0.00926 130 4XY 0.00557 -0.01681 0.00019 -0.01247 0.00695 131 4XZ -0.02068 0.00017 0.00985 0.00232 -0.00234 132 4YZ -0.01691 -0.03140 0.00036 0.03902 -0.00751 133 15 H 1S -0.14572 -0.15817 -0.01564 0.11119 0.09420 134 2S 0.08336 0.04401 -0.01416 0.02258 0.12921 135 16 H 1S -0.01786 0.14798 0.02517 0.01419 -0.05037 136 2S 0.03858 -0.08090 -0.01903 -0.02949 0.08261 137 17 H 1S -0.02050 0.11914 0.06603 0.15074 0.02236 138 2S -0.14236 -0.07734 -0.44082 0.11703 -0.13744 139 18 H 1S -0.02054 0.11918 -0.06595 0.15086 -0.02215 140 2S -0.14215 -0.07767 0.44082 0.11692 0.13780 141 19 O 1S -0.00684 0.00077 0.01248 -0.00457 0.00377 142 2S 0.08029 -0.16960 -0.09228 -0.00828 -0.00558 143 2PX -0.01587 -0.07259 0.00404 -0.00799 0.01592 144 2PY 0.16006 -0.18230 -0.28469 -0.08663 0.04974 145 2PZ -0.04336 -0.03372 0.05231 -0.04925 -0.06449 146 3S -0.26591 0.62479 0.39575 0.15570 -0.27029 147 3PX 0.03656 0.03197 -0.30859 0.04041 -0.14017 148 3PY -0.07383 0.20183 0.03561 0.04250 -0.05900 149 3PZ 0.04987 -0.15975 0.11004 -0.07117 0.05618 150 4XX 0.01496 -0.04570 0.02723 0.00303 -0.02930 151 4YY -0.01478 -0.00488 0.00371 0.00238 0.00241 152 4ZZ 0.01613 -0.05295 -0.02125 -0.01111 0.00321 153 4XY 0.00090 0.00524 -0.06193 0.00508 -0.01651 154 4XZ 0.02738 -0.04382 -0.04621 -0.00011 0.02624 155 4YZ 0.00167 -0.00883 0.01957 0.00625 -0.00077 156 20 O 1S -0.00684 0.00078 -0.01247 -0.00456 -0.00378 157 2S 0.08032 -0.16965 0.09218 -0.00832 0.00546 158 2PX -0.01588 -0.07256 -0.00405 -0.00793 -0.01594 159 2PY -0.16018 0.18244 -0.28452 0.08651 0.04992 160 2PZ -0.04342 -0.03371 -0.05236 -0.04938 0.06434 161 3S -0.26600 0.62486 -0.39545 0.15523 0.27095 162 3PX 0.03674 0.03174 0.30859 0.04021 0.14025 163 3PY 0.07384 -0.20178 0.03554 -0.04238 -0.05919 164 3PZ 0.04982 -0.15967 -0.11016 -0.07106 -0.05633 165 4XX 0.01496 -0.04569 -0.02724 0.00295 0.02927 166 4YY -0.01479 -0.00487 -0.00371 0.00238 -0.00241 167 4ZZ 0.01614 -0.05297 0.02124 -0.01112 -0.00328 168 4XY -0.00093 -0.00518 -0.06193 -0.00505 -0.01650 169 4XZ 0.02739 -0.04383 0.04615 -0.00004 -0.02624 170 4YZ -0.00168 0.00883 0.01957 -0.00624 -0.00079 171 21 C 1S 0.01480 -0.02373 -0.00001 -0.00488 -0.00001 172 2S -0.12829 0.14514 0.00010 0.04262 0.00009 173 2PX -0.25240 0.23399 0.00013 -0.00948 0.00010 174 2PY -0.00021 0.00032 -0.84184 0.00004 -0.01985 175 2PZ 0.11932 -0.27312 -0.00016 -0.17863 -0.00026 176 3S 0.19931 -0.25621 -0.00015 -0.05977 -0.00016 177 3PX 0.42868 -0.21408 -0.00001 -0.01927 -0.00038 178 3PY 0.00037 -0.00054 1.45707 -0.00009 0.06912 179 3PZ -0.20528 0.57007 0.00025 0.50286 0.00078 180 4XX -0.00478 0.01347 0.00000 0.00464 0.00001 181 4YY 0.03157 -0.02821 -0.00001 -0.01604 -0.00003 182 4ZZ 0.00023 -0.02571 -0.00001 -0.00238 -0.00001 183 4XY 0.00001 -0.00002 0.07801 0.00001 -0.00727 184 4XZ -0.00651 0.03323 0.00003 0.01473 0.00001 185 4YZ 0.00000 0.00000 -0.03732 -0.00002 0.01228 186 22 H 1S 0.04558 -0.16925 -0.00003 -0.05856 -0.00013 187 2S 0.04773 -0.08219 0.00005 -0.22648 -0.00036 188 23 H 1S 0.01013 0.13737 0.00008 0.04852 0.00001 189 2S 0.06578 0.09262 0.00005 0.11424 0.00009 76 77 78 79 80 V V V V V Eigenvalues -- 0.58249 0.58292 0.60597 0.62645 0.64669 1 1 C 1S 0.00584 -0.03421 -0.03173 -0.01262 -0.05547 2 2S 0.12942 0.03446 -0.25535 -0.05694 0.18077 3 2PX -0.27923 0.22333 -0.28200 0.07769 0.04385 4 2PY 0.05207 -0.00486 -0.17026 -0.15620 0.20099 5 2PZ -0.11110 0.03159 -0.37526 -0.06251 -0.11232 6 3S 0.08356 0.46118 0.36792 0.53621 -0.25838 7 3PX 0.24743 -0.02176 0.26718 0.01708 0.05753 8 3PY -0.07584 -0.24457 0.10797 0.23259 -0.45510 9 3PZ -0.01163 -0.70398 0.43462 -0.23723 -0.19081 10 4XX -0.00729 0.01969 0.00897 0.02716 0.03745 11 4YY 0.02015 -0.00665 -0.04867 -0.03027 -0.04947 12 4ZZ 0.01925 -0.03020 -0.06213 -0.00614 -0.02547 13 4XY -0.00812 -0.00555 -0.03206 -0.00823 0.00424 14 4XZ -0.02572 -0.00232 0.07267 -0.02852 0.02727 15 4YZ 0.00021 -0.00216 -0.00731 0.02142 -0.01831 16 2 C 1S 0.00888 0.00934 0.02908 0.02168 0.02630 17 2S 0.08550 -0.05725 -0.18624 0.03490 -0.02388 18 2PX -0.02874 0.31452 0.00976 0.32418 0.17001 19 2PY 0.08484 -0.13209 -0.06473 0.14520 -0.05244 20 2PZ 0.07126 -0.07090 -0.13892 0.12601 -0.36224 21 3S -0.15616 -0.30084 0.35850 -0.46923 0.01144 22 3PX 0.07534 -0.28564 -0.07164 -0.30991 -0.15395 23 3PY -0.26328 -0.03700 0.04291 -0.97355 0.04348 24 3PZ -0.24036 -0.54031 -0.00880 -0.40634 0.12388 25 4XX -0.00087 0.00086 0.00583 0.01251 -0.01638 26 4YY 0.00428 -0.01007 -0.03165 -0.02123 0.03419 27 4ZZ 0.01252 0.00563 0.03950 0.02514 0.01700 28 4XY 0.02277 0.02071 -0.02103 0.01567 0.01089 29 4XZ -0.01223 -0.00584 -0.05174 0.02296 -0.04419 30 4YZ -0.00254 0.00999 0.01163 0.02274 0.01011 31 3 C 1S 0.00891 -0.00928 0.02909 0.02172 -0.02628 32 2S 0.08536 0.05760 -0.18626 0.03474 0.02396 33 2PX -0.02764 -0.31448 0.00974 0.32418 -0.16978 34 2PY -0.08437 -0.13245 0.06476 -0.14499 -0.05273 35 2PZ 0.07117 0.07122 -0.13891 0.12543 0.36224 36 3S -0.15654 0.30011 0.35860 -0.46959 -0.01204 37 3PX 0.07423 0.28592 -0.07163 -0.30998 0.15381 38 3PY 0.26295 -0.03596 -0.04293 0.97357 0.04451 39 3PZ -0.24213 0.53929 -0.00885 -0.40644 -0.12409 40 4XX -0.00088 -0.00089 0.00582 0.01251 0.01639 41 4YY 0.00426 0.01012 -0.03164 -0.02120 -0.03423 42 4ZZ 0.01256 -0.00556 0.03950 0.02513 -0.01695 43 4XY -0.02285 0.02060 0.02105 -0.01567 0.01089 44 4XZ -0.01227 0.00579 -0.05174 0.02291 0.04421 45 4YZ 0.00251 0.01000 -0.01166 -0.02276 0.01008 46 4 C 1S 0.00574 0.03422 -0.03173 -0.01271 0.05545 47 2S 0.12959 -0.03392 -0.25533 -0.05676 -0.18083 48 2PX -0.27837 -0.22412 -0.28205 0.07758 -0.04377 49 2PY -0.05193 -0.00496 0.17029 0.15597 0.20110 50 2PZ -0.11101 -0.03197 -0.37525 -0.06270 0.11229 51 3S 0.08453 -0.46087 0.36786 0.53636 0.25893 52 3PX 0.24714 0.02255 0.26723 0.01753 -0.05751 53 3PY 0.07657 -0.24463 -0.10798 -0.23166 -0.45535 54 3PZ -0.01354 0.70378 0.43465 -0.23799 0.19049 55 4XX -0.00725 -0.01970 0.00896 0.02721 -0.03743 56 4YY 0.02017 0.00671 -0.04866 -0.03033 0.04945 57 4ZZ 0.01915 0.03028 -0.06213 -0.00619 0.02545 58 4XY 0.00814 -0.00554 0.03206 0.00824 0.00423 59 4XZ -0.02574 0.00221 0.07268 -0.02846 -0.02728 60 4YZ -0.00021 -0.00216 0.00733 -0.02141 -0.01834 61 5 H 1S 0.05408 -0.07872 -0.31627 -0.09178 -0.17413 62 2S 0.01631 0.21884 -0.00293 0.11490 0.10991 63 6 H 1S 0.05391 0.07898 -0.31627 -0.09205 0.17396 64 2S 0.01694 -0.21876 -0.00294 0.11523 -0.10979 65 7 C 1S 0.01713 -0.01931 -0.01706 -0.00679 0.02229 66 2S 0.28999 -0.05889 -0.03846 -0.11536 0.01573 67 2PX -0.15332 0.40952 -0.01951 -0.05593 -0.07509 68 2PY 0.17066 0.32190 -0.18691 0.12301 -0.33182 69 2PZ 0.13882 -0.13186 0.03309 -0.06765 0.14265 70 3S -0.16037 0.37692 -0.12913 0.36367 0.14451 71 3PX 0.44378 -1.05050 0.00344 -0.00362 0.25012 72 3PY -0.46853 -0.06526 0.39697 -0.31402 0.76148 73 3PZ -0.25017 0.11153 0.04099 -0.04658 -0.13349 74 4XX 0.01768 0.03018 -0.01017 0.01023 -0.04522 75 4YY 0.04862 -0.05330 -0.02622 0.00996 0.06452 76 4ZZ -0.02180 0.02935 -0.00096 -0.03994 -0.00360 77 4XY -0.03359 -0.00085 -0.00222 0.00513 0.00138 78 4XZ -0.02815 -0.00450 0.00235 0.01021 -0.00387 79 4YZ 0.02367 -0.01272 -0.00916 -0.05939 0.00981 80 8 C 1S 0.01704 0.01937 -0.01706 -0.00679 -0.02230 81 2S 0.28988 0.05994 -0.03843 -0.11550 -0.01586 82 2PX -0.15194 -0.41015 -0.01956 -0.05562 0.07506 83 2PY -0.17184 0.32126 0.18697 -0.12276 -0.33185 84 2PZ 0.13846 0.13239 0.03317 -0.06754 -0.14273 85 3S -0.15888 -0.37752 -0.12922 0.36493 -0.14411 86 3PX 0.44010 1.05217 0.00360 -0.00443 -0.25012 87 3PY 0.46846 -0.06359 -0.39712 0.31288 0.76168 88 3PZ -0.24981 -0.11237 0.04080 -0.04618 0.13359 89 4XX 0.01777 -0.03012 -0.01018 0.01019 0.04524 90 4YY 0.04845 0.05348 -0.02621 0.00999 -0.06453 91 4ZZ -0.02170 -0.02943 -0.00096 -0.03992 0.00356 92 4XY 0.03360 -0.00073 0.00222 -0.00514 0.00137 93 4XZ -0.02814 0.00441 0.00235 0.01019 0.00388 94 4YZ -0.02360 -0.01277 0.00915 0.05940 0.00985 95 9 H 1S 0.04964 -0.01765 -0.06014 -0.04089 -0.15383 96 2S -0.08910 0.05242 0.08310 -0.42054 0.05186 97 10 H 1S 0.04949 0.01798 -0.06016 -0.04101 0.15373 98 2S -0.08909 -0.05284 0.08310 -0.42043 -0.05223 99 11 C 1S -0.00588 -0.00319 -0.01173 -0.00304 -0.02001 100 2S 0.00915 0.03729 0.07004 -0.06129 0.05906 101 2PX -0.01190 0.09685 -0.13855 0.11835 0.17776 102 2PY 0.27881 -0.02676 0.09681 0.27457 -0.27644 103 2PZ -0.03287 -0.05763 0.14592 -0.15834 -0.13704 104 3S -0.24812 -0.11913 -0.03671 -0.09649 -0.38062 105 3PX 0.02177 -0.28209 0.27188 -0.31558 -0.48867 106 3PY -0.49955 0.34257 -0.07026 -0.64344 0.55971 107 3PZ 0.09890 0.11661 -0.24105 0.47735 0.39485 108 4XX 0.01865 0.01559 0.00731 0.02498 -0.00747 109 4YY -0.05386 -0.00806 0.01427 -0.06544 -0.03105 110 4ZZ 0.01852 -0.00035 -0.01550 0.01610 0.01499 111 4XY -0.01114 0.00925 -0.01495 -0.03492 0.00992 112 4XZ 0.01937 0.01851 -0.00465 0.02931 0.03334 113 4YZ 0.00126 -0.00669 0.01441 0.03397 -0.00648 114 12 H 1S 0.05007 0.00926 -0.15019 0.03702 0.02389 115 2S 0.05620 -0.08820 -0.01945 0.23088 -0.03206 116 13 H 1S 0.04361 0.01073 -0.09631 0.10365 -0.02478 117 2S -0.00612 -0.09282 -0.08774 0.14011 0.04390 118 14 C 1S -0.00589 0.00317 -0.01173 -0.00304 0.02001 119 2S 0.00917 -0.03723 0.07002 -0.06135 -0.05912 120 2PX -0.01138 -0.09696 -0.13851 0.11864 -0.17754 121 2PY -0.27874 -0.02797 -0.09689 -0.27448 -0.27672 122 2PZ -0.03322 0.05754 0.14589 -0.15851 0.13685 123 3S -0.24801 0.11808 -0.03664 -0.09642 0.38058 124 3PX 0.02037 0.28214 0.27179 -0.31643 0.48813 125 3PY 0.49870 0.34476 0.07041 0.64296 0.56045 126 3PZ 0.09974 -0.11615 -0.24098 0.47777 -0.39430 127 4XX 0.01869 -0.01550 0.00730 0.02496 0.00749 128 4YY -0.05388 0.00784 0.01428 -0.06543 0.03100 129 4ZZ 0.01853 0.00041 -0.01550 0.01609 -0.01499 130 4XY 0.01113 0.00928 0.01495 0.03493 0.00997 131 4XZ 0.01943 -0.01842 -0.00464 0.02935 -0.03331 132 4YZ -0.00125 -0.00669 -0.01440 -0.03398 -0.00651 133 15 H 1S 0.05016 -0.00905 -0.15018 0.03699 -0.02386 134 2S 0.05603 0.08843 -0.01943 0.23082 0.03228 135 16 H 1S 0.04361 -0.01048 -0.09632 0.10372 0.02484 136 2S -0.00636 0.09277 -0.08770 0.14019 -0.04370 137 17 H 1S 0.07966 0.11292 -0.04664 -0.29996 -0.19591 138 2S -0.34546 -0.08499 0.19251 -0.04759 -0.13942 139 18 H 1S 0.08008 -0.11266 -0.04668 -0.30010 0.19558 140 2S -0.34596 0.08385 0.19254 -0.04802 0.13938 141 19 O 1S -0.00071 0.00088 0.00393 0.00280 -0.00559 142 2S 0.14483 -0.07499 -0.02416 -0.12862 0.01182 143 2PX -0.02956 0.06672 -0.01762 -0.02361 -0.08603 144 2PY 0.05414 0.03372 -0.03973 0.12466 -0.05796 145 2PZ 0.11949 -0.08343 0.00201 -0.03875 -0.05792 146 3S -0.41847 -0.12226 0.05882 0.22987 0.23290 147 3PX 0.02832 -0.06888 0.02943 0.00906 0.13490 148 3PY -0.09405 -0.04922 -0.06803 0.04133 0.00769 149 3PZ -0.04630 0.16695 -0.01202 0.04069 -0.02848 150 4XX 0.04444 -0.04124 0.00667 -0.04047 0.03512 151 4YY 0.01085 -0.01299 -0.00890 -0.03628 -0.01875 152 4ZZ 0.05732 -0.04079 -0.00432 -0.04199 -0.00244 153 4XY 0.02364 -0.03588 0.00069 -0.02320 0.00374 154 4XZ -0.02227 0.05858 -0.01144 0.00161 -0.02440 155 4YZ -0.01673 0.02152 -0.00409 0.00719 -0.00299 156 20 O 1S -0.00070 -0.00089 0.00392 0.00281 0.00559 157 2S 0.14453 0.07544 -0.02415 -0.12859 -0.01196 158 2PX -0.02934 -0.06684 -0.01763 -0.02360 0.08602 159 2PY -0.05416 0.03357 0.03974 -0.12465 -0.05810 160 2PZ 0.11920 0.08384 0.00202 -0.03882 0.05789 161 3S -0.41862 0.12106 0.05892 0.22955 -0.23274 162 3PX 0.02804 0.06902 0.02948 0.00898 -0.13488 163 3PY 0.09420 -0.04893 0.06802 -0.04124 0.00771 164 3PZ -0.04568 -0.16716 -0.01204 0.04080 0.02854 165 4XX 0.04432 0.04139 0.00667 -0.04044 -0.03516 166 4YY 0.01080 0.01302 -0.00891 -0.03627 0.01871 167 4ZZ 0.05716 0.04097 -0.00432 -0.04200 0.00240 168 4XY -0.02349 -0.03594 -0.00070 0.02321 0.00375 169 4XZ -0.02210 -0.05868 -0.01145 0.00163 0.02439 170 4YZ 0.01663 0.02157 0.00409 -0.00721 -0.00299 171 21 C 1S 0.01339 0.00002 -0.00393 -0.00911 -0.00001 172 2S -0.13394 -0.00018 0.01475 0.00602 -0.00001 173 2PX -0.31973 -0.00049 0.04695 0.11432 0.00004 174 2PY 0.00061 -0.28185 -0.00002 0.00005 0.00409 175 2PZ 0.28013 0.00040 -0.03446 -0.08443 -0.00003 176 3S 0.20425 0.00028 0.07412 0.04484 0.00008 177 3PX 1.23024 0.00202 -0.08586 -0.44183 -0.00017 178 3PY -0.00093 0.46361 0.00003 -0.00013 -0.04105 179 3PZ -0.95373 -0.00148 0.09761 0.31125 0.00011 180 4XX -0.02723 -0.00004 -0.00286 0.01225 0.00000 181 4YY 0.03110 0.00004 0.00298 0.02450 0.00002 182 4ZZ 0.03339 0.00006 -0.00042 -0.05074 -0.00003 183 4XY -0.00003 0.00163 0.00000 0.00000 0.00913 184 4XZ 0.03159 0.00006 -0.00662 -0.01388 -0.00001 185 4YZ -0.00002 0.02013 0.00000 0.00000 0.00020 186 22 H 1S 0.23742 0.00039 -0.02160 -0.21991 -0.00012 187 2S 0.56475 0.00093 -0.08101 -0.10696 -0.00003 188 23 H 1S 0.20355 0.00037 -0.03741 -0.10421 -0.00006 189 2S 0.10942 0.00019 0.00858 -0.05204 -0.00002 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 -0.02707 0.01105 0.00309 0.00262 0.01279 2 2S 0.03193 0.07475 -0.11106 0.06391 -0.01139 3 2PX -0.20962 -0.42528 -0.03948 0.10120 0.28315 4 2PY 0.11670 -0.02751 -0.03273 0.01843 -0.22137 5 2PZ -0.17573 -0.32680 -0.09975 0.03113 0.05304 6 3S -0.27764 -0.33991 -0.06850 0.21065 0.31224 7 3PX 0.34109 0.67927 -0.04584 -0.30911 -0.49929 8 3PY -0.37541 -0.37664 -0.06256 -0.11396 0.00582 9 3PZ 0.24930 0.65691 0.30940 -0.15576 -0.61321 10 4XX 0.00580 -0.00644 0.00539 -0.00330 -0.00986 11 4YY -0.02393 -0.00063 -0.01209 0.01484 0.02902 12 4ZZ -0.01606 0.01299 -0.00242 0.00507 0.00714 13 4XY 0.00470 0.00628 -0.00836 0.00299 0.00716 14 4XZ 0.04811 0.00090 0.02598 -0.00399 -0.00669 15 4YZ 0.00863 -0.00421 -0.05506 0.02040 -0.01718 16 2 C 1S 0.01398 0.00841 0.01429 0.00263 -0.00059 17 2S -0.21847 -0.01739 -0.19795 -0.20499 -0.02585 18 2PX -0.26817 0.02132 0.00020 -0.60140 -0.31953 19 2PY -0.18278 0.00763 -0.29997 0.00462 0.13177 20 2PZ -0.06305 0.03472 0.04327 0.05532 -0.20388 21 3S 0.73999 0.24345 0.43033 0.65663 -0.46666 22 3PX 0.39111 -0.13898 0.38479 1.28393 0.57613 23 3PY 0.61092 0.01684 0.67420 -0.02731 -0.44649 24 3PZ -0.24656 -0.38562 0.09311 -0.44613 -0.10058 25 4XX -0.00163 -0.01035 -0.01114 0.01101 -0.01417 26 4YY 0.01557 0.00521 0.03446 -0.03788 0.00751 27 4ZZ -0.01440 0.00482 -0.01711 0.00587 -0.01528 28 4XY -0.00391 -0.02112 -0.01555 -0.00186 -0.02190 29 4XZ -0.03869 -0.02207 0.00295 -0.00525 0.01397 30 4YZ -0.01259 0.02804 -0.00584 -0.01375 0.01527 31 3 C 1S -0.01397 -0.00843 0.01428 0.00264 0.00059 32 2S 0.21855 0.01761 -0.19786 -0.20496 0.02616 33 2PX 0.26837 -0.02130 0.00010 -0.60140 0.31953 34 2PY -0.18291 0.00735 0.29996 -0.00470 0.13150 35 2PZ 0.06297 -0.03476 0.04329 0.05535 0.20324 36 3S -0.74043 -0.24394 0.42949 0.65682 0.46620 37 3PX -0.39145 0.13870 0.38504 1.28411 -0.57623 38 3PY 0.61149 0.01743 -0.67384 0.02748 -0.44603 39 3PZ 0.24665 0.38554 0.09342 -0.44627 0.10180 40 4XX 0.00163 0.01037 -0.01112 0.01102 0.01414 41 4YY -0.01559 -0.00526 0.03444 -0.03788 -0.00751 42 4ZZ 0.01442 -0.00480 -0.01712 0.00589 0.01534 43 4XY -0.00391 -0.02114 0.01551 0.00186 -0.02189 44 4XZ 0.03871 0.02206 0.00298 -0.00527 -0.01398 45 4YZ -0.01261 0.02804 0.00587 0.01374 0.01520 46 4 C 1S 0.02706 -0.01105 0.00308 0.00262 -0.01282 47 2S -0.03196 -0.07464 -0.11114 0.06393 0.01156 48 2PX 0.20963 0.42529 -0.03912 0.10118 -0.28297 49 2PY 0.11679 -0.02754 0.03269 -0.01839 -0.22123 50 2PZ 0.17570 0.32685 -0.09939 0.03107 -0.05329 51 3S 0.27795 0.34000 -0.06794 0.21060 -0.31284 52 3PX -0.34101 -0.67914 -0.04641 -0.30913 0.49901 53 3PY -0.37556 -0.37666 0.06206 0.11394 0.00533 54 3PZ -0.24951 -0.65724 0.30854 -0.15561 0.61350 55 4XX -0.00579 0.00643 0.00540 -0.00330 0.00989 56 4YY 0.02391 0.00065 -0.01211 0.01485 -0.02902 57 4ZZ 0.01605 -0.01298 -0.00241 0.00506 -0.00718 58 4XY 0.00471 0.00628 0.00836 -0.00300 0.00715 59 4XZ -0.04813 -0.00093 0.02596 -0.00398 0.00670 60 4YZ 0.00860 -0.00426 0.05506 -0.02040 -0.01716 61 5 H 1S -0.12506 0.04823 0.07859 0.01080 0.11879 62 2S 0.07860 -0.20177 -0.22976 0.01105 0.02319 63 6 H 1S 0.12494 -0.04829 0.07856 0.01081 -0.11898 64 2S -0.07850 0.20195 -0.22950 0.01104 -0.02321 65 7 C 1S -0.00302 -0.01237 0.01252 -0.01722 -0.00356 66 2S -0.14492 0.01096 -0.24295 -0.17820 -0.30945 67 2PX 0.25108 0.24596 0.00247 0.08652 0.33636 68 2PY -0.09192 0.03573 0.19386 0.05974 -0.35312 69 2PZ -0.00408 0.02771 -0.30357 0.10751 0.10839 70 3S 0.82841 0.15672 0.58351 0.73299 1.81406 71 3PX -0.69237 -0.66917 -0.20411 -0.10510 -0.96939 72 3PY 0.46497 -0.11368 -0.42029 -0.34483 1.05964 73 3PZ 0.46834 0.05518 0.52445 0.00356 0.36087 74 4XX -0.01584 0.02124 0.02835 0.00625 -0.02786 75 4YY 0.01913 -0.00451 -0.00310 -0.01198 0.05516 76 4ZZ -0.00200 -0.00771 -0.03120 -0.02418 -0.01514 77 4XY 0.00552 0.00004 0.01235 0.04184 0.01506 78 4XZ -0.01721 -0.01092 -0.01009 -0.00442 -0.00251 79 4YZ 0.00194 -0.00794 0.01284 -0.01986 -0.00169 80 8 C 1S 0.00301 0.01236 0.01252 -0.01722 0.00355 81 2S 0.14486 -0.01083 -0.24291 -0.17821 0.30957 82 2PX -0.25112 -0.24589 0.00229 0.08648 -0.33616 83 2PY -0.09200 0.03588 -0.19386 -0.05973 -0.35321 84 2PZ 0.00408 -0.02744 -0.30360 0.10747 -0.10830 85 3S -0.82816 -0.15695 0.58309 0.73327 -1.81375 86 3PX 0.69242 0.66927 -0.20358 -0.10510 0.96929 87 3PY 0.46530 -0.11391 0.42057 0.34458 1.06006 88 3PZ -0.46832 -0.05563 0.52446 0.00394 -0.36071 89 4XX 0.01585 -0.02127 0.02834 0.00625 0.02781 90 4YY -0.01912 0.00451 -0.00312 -0.01198 -0.05512 91 4ZZ 0.00198 0.00773 -0.03119 -0.02417 0.01514 92 4XY 0.00551 0.00003 -0.01235 -0.04184 0.01502 93 4XZ 0.01721 0.01094 -0.01008 -0.00442 0.00246 94 4YZ 0.00198 -0.00792 -0.01284 0.01986 -0.00173 95 9 H 1S -0.00802 -0.11812 0.09491 -0.08245 -0.11903 96 2S -0.08422 0.02826 0.18087 0.03282 0.15543 97 10 H 1S 0.00794 0.11801 0.09508 -0.08248 0.11914 98 2S 0.08396 -0.02841 0.18092 0.03272 -0.15571 99 11 C 1S 0.03344 -0.01268 0.00232 -0.02057 -0.00224 100 2S -0.36321 0.14248 -0.06151 0.07659 0.02998 101 2PX 0.18187 -0.05326 0.11958 -0.02761 -0.17399 102 2PY 0.43156 -0.38022 0.03929 0.27252 -0.05979 103 2PZ -0.18933 0.00869 0.21916 0.14525 0.11628 104 3S 1.35455 -0.49360 -0.19865 -0.88295 -0.04533 105 3PX -0.73046 0.17902 -0.18237 0.18473 0.57160 106 3PY -1.10617 1.17790 -0.02533 -0.60380 0.56084 107 3PZ 0.70756 -0.22558 -0.55598 -0.47815 -0.48912 108 4XX -0.00853 0.02159 0.02301 -0.02159 0.01868 109 4YY 0.03527 -0.03474 -0.01660 -0.01566 -0.00761 110 4ZZ -0.01896 0.01541 -0.02913 0.00280 -0.01238 111 4XY -0.00600 0.00584 0.08187 0.00065 0.00116 112 4XZ -0.00445 -0.02044 0.01862 0.04491 -0.02132 113 4YZ 0.00856 0.00058 0.01216 -0.02205 0.00458 114 12 H 1S 0.08929 -0.09926 -0.11472 -0.01210 -0.17246 115 2S 0.27929 -0.27594 -0.11294 -0.12625 -0.24067 116 13 H 1S 0.16707 -0.09453 0.26503 -0.14314 0.00027 117 2S 0.29329 -0.23791 -0.07193 0.08444 -0.29265 118 14 C 1S -0.03343 0.01269 0.00233 -0.02057 0.00227 119 2S 0.36316 -0.14242 -0.06156 0.07658 -0.02991 120 2PX -0.18184 0.05331 0.11953 -0.02742 0.17435 121 2PY 0.43140 -0.38019 -0.03960 -0.27245 -0.05963 122 2PZ 0.18927 -0.00897 0.21921 0.14512 -0.11644 123 3S -1.35452 0.49369 -0.19861 -0.88294 0.04544 124 3PX 0.73042 -0.17927 -0.18207 0.18420 -0.57278 125 3PY -1.10554 1.17787 0.02626 0.60368 0.56070 126 3PZ -0.70735 0.22629 -0.55618 -0.47770 0.48970 127 4XX 0.00856 -0.02161 0.02304 -0.02159 -0.01861 128 4YY -0.03531 0.03474 -0.01661 -0.01567 0.00759 129 4ZZ 0.01897 -0.01538 -0.02915 0.00282 0.01239 130 4XY -0.00595 0.00590 -0.08186 -0.00066 0.00118 131 4XZ 0.00446 0.02043 0.01863 0.04490 0.02132 132 4YZ 0.00852 0.00060 -0.01215 0.02206 0.00450 133 15 H 1S -0.08926 0.09935 -0.11469 -0.01210 0.17252 134 2S -0.27912 0.27607 -0.11282 -0.12617 0.24111 135 16 H 1S -0.16698 0.09436 0.26511 -0.14312 0.00013 136 2S -0.29317 0.23798 -0.07187 0.08450 0.29293 137 17 H 1S -0.03785 0.14247 0.09279 -0.15542 -0.00479 138 2S -0.30787 -0.04329 -0.05792 -0.10456 -0.30466 139 18 H 1S 0.03762 -0.14263 0.09270 -0.15544 0.00485 140 2S 0.30783 0.04333 -0.05776 -0.10478 0.30440 141 19 O 1S 0.00306 0.00532 0.00254 0.01048 0.00591 142 2S 0.08949 0.08648 0.03196 -0.03923 0.05291 143 2PX 0.07766 0.11953 0.13652 0.13296 0.06781 144 2PY 0.03032 0.05690 0.09916 0.07880 0.01609 145 2PZ 0.01279 0.13664 0.09685 0.01336 0.01195 146 3S -0.51404 -0.45997 -0.39373 -0.21356 -0.50758 147 3PX -0.13521 -0.12460 -0.21863 -0.22019 -0.19599 148 3PY -0.08221 -0.06040 -0.05736 -0.05995 -0.10746 149 3PZ 0.06456 -0.00465 0.05048 0.05643 0.12983 150 4XX 0.01615 0.00966 -0.03322 -0.01997 0.01823 151 4YY 0.02505 0.03828 0.02549 -0.01241 -0.00106 152 4ZZ 0.01863 0.02236 0.01079 0.00365 0.02300 153 4XY -0.00930 -0.00120 -0.00983 -0.00299 -0.02225 154 4XZ 0.01857 0.00568 0.04168 -0.00042 0.02492 155 4YZ 0.02211 0.01685 0.00350 0.02438 0.04000 156 20 O 1S -0.00306 -0.00532 0.00254 0.01048 -0.00590 157 2S -0.08961 -0.08656 0.03187 -0.03917 -0.05302 158 2PX -0.07769 -0.11962 0.13642 0.13299 -0.06772 159 2PY 0.03021 0.05697 -0.09913 -0.07876 0.01596 160 2PZ -0.01282 -0.13674 0.09673 0.01337 -0.01193 161 3S 0.51424 0.46033 -0.39335 -0.21375 0.50763 162 3PX 0.13522 0.12473 -0.21858 -0.22022 0.19588 163 3PY -0.08221 -0.06046 0.05727 0.05995 -0.10737 164 3PZ -0.06455 0.00461 0.05052 0.05641 -0.12980 165 4XX -0.01618 -0.00965 -0.03324 -0.01996 -0.01823 166 4YY -0.02510 -0.03832 0.02546 -0.01238 0.00100 167 4ZZ -0.01866 -0.02238 0.01076 0.00366 -0.02303 168 4XY -0.00928 -0.00121 0.00981 0.00299 -0.02223 169 4XZ -0.01857 -0.00571 0.04168 -0.00043 -0.02492 170 4YZ 0.02210 0.01684 -0.00348 -0.02438 0.04000 171 21 C 1S 0.00000 -0.00001 0.00619 -0.02054 -0.00001 172 2S 0.00000 0.00003 -0.09203 -0.00953 0.00003 173 2PX 0.00003 -0.00001 0.01956 -0.03798 -0.00003 174 2PY 0.01455 0.05925 0.00000 0.00000 -0.04080 175 2PZ -0.00003 -0.00009 0.15468 -0.04690 -0.00002 176 3S 0.00004 0.00000 0.06206 0.10421 -0.00004 177 3PX -0.00011 0.00006 -0.30945 -0.03028 -0.00001 178 3PY -0.01164 -0.09537 -0.00004 0.00001 0.17812 179 3PZ 0.00012 0.00028 -0.41120 0.24288 0.00004 180 4XX 0.00000 0.00000 0.00406 0.01177 -0.00002 181 4YY 0.00001 0.00001 -0.02022 0.00828 0.00001 182 4ZZ -0.00002 -0.00002 0.01102 -0.04668 0.00000 183 4XY -0.00649 -0.01353 0.00000 0.00000 -0.00508 184 4XZ 0.00000 0.00002 -0.05215 0.01093 -0.00002 185 4YZ 0.00623 -0.00342 -0.00001 0.00001 0.00594 186 22 H 1S -0.00009 -0.00012 0.13365 -0.27280 -0.00003 187 2S -0.00004 -0.00006 0.03669 0.00104 -0.00003 188 23 H 1S -0.00004 0.00005 -0.20245 -0.11893 -0.00018 189 2S 0.00000 0.00006 -0.17285 0.04204 0.00014 86 87 88 89 90 V V V V V Eigenvalues -- 0.74707 0.76305 0.80486 0.81301 0.82474 1 1 C 1S -0.01221 -0.02004 0.02024 0.01430 0.00356 2 2S 0.02227 0.21874 -0.05084 -0.07748 -0.04119 3 2PX 0.22106 0.07105 -0.06550 -0.17883 0.09732 4 2PY -0.11362 -0.16079 0.17428 0.23604 0.00310 5 2PZ 0.05028 -0.20230 -0.02546 -0.05882 -0.06328 6 3S 0.27183 -0.95289 -0.57515 0.97458 -0.19779 7 3PX -0.16996 -0.23172 0.28370 0.25726 -0.19314 8 3PY 0.25375 0.45436 -0.64323 -0.65013 0.08908 9 3PZ -0.39432 0.45515 0.66260 -0.05548 0.20534 10 4XX 0.02253 0.02451 -0.00098 -0.04547 0.00856 11 4YY -0.01615 -0.00380 -0.02835 0.01700 -0.00640 12 4ZZ -0.00167 -0.02143 0.02641 0.02661 -0.00917 13 4XY -0.00061 0.02102 -0.00258 -0.02252 0.01102 14 4XZ 0.00212 -0.00215 -0.01638 -0.00748 -0.01045 15 4YZ 0.05016 -0.05554 -0.00009 0.02727 -0.02499 16 2 C 1S 0.01329 0.00256 -0.01210 -0.01071 -0.00456 17 2S 0.02106 0.13467 0.15469 0.27160 -0.12683 18 2PX -0.05432 -0.03425 0.34002 0.02902 -0.08322 19 2PY 0.28872 0.10293 0.08671 0.12304 -0.03062 20 2PZ -0.05013 -0.55730 0.16218 0.18855 -0.06282 21 3S -0.25801 0.13554 -0.58155 -0.73608 0.49457 22 3PX 0.13965 -0.12730 -1.21180 -0.01521 0.14569 23 3PY -1.04267 0.00911 -0.02340 -0.13542 0.11023 24 3PZ -0.15875 1.26013 0.06894 -0.78522 0.23277 25 4XX 0.01099 -0.03176 -0.02418 -0.00882 0.00131 26 4YY -0.03198 0.02712 0.03336 0.01841 -0.01717 27 4ZZ 0.01938 0.03470 -0.01518 -0.00202 0.00397 28 4XY -0.00145 -0.00034 -0.01275 0.00435 -0.00288 29 4XZ -0.00289 -0.00951 0.01783 -0.00125 0.00678 30 4YZ 0.00550 0.04400 0.00466 -0.01692 0.00797 31 3 C 1S 0.01329 0.00257 0.01209 -0.01070 -0.00456 32 2S 0.02104 0.13450 -0.15461 0.27151 -0.12683 33 2PX -0.05432 -0.03466 -0.34002 0.02897 -0.08318 34 2PY -0.28880 -0.10294 0.08670 -0.12312 0.03059 35 2PZ -0.05030 -0.55754 -0.16221 0.18853 -0.06281 36 3S -0.25832 0.13569 0.58136 -0.73560 0.49435 37 3PX 0.13956 -0.12639 1.21176 -0.01504 0.14547 38 3PY 1.04306 -0.00907 -0.02329 0.13550 -0.11006 39 3PZ -0.15859 1.25992 -0.06875 -0.78527 0.23254 40 4XX 0.01098 -0.03177 0.02418 -0.00885 0.00132 41 4YY -0.03197 0.02715 -0.03337 0.01843 -0.01717 42 4ZZ 0.01937 0.03467 0.01519 -0.00202 0.00396 43 4XY 0.00146 0.00036 -0.01274 -0.00434 0.00288 44 4XZ -0.00288 -0.00950 -0.01783 -0.00125 0.00678 45 4YZ -0.00551 -0.04402 0.00464 0.01692 -0.00798 46 4 C 1S -0.01221 -0.02003 -0.02024 0.01431 0.00356 47 2S 0.02229 0.21874 0.05082 -0.07752 -0.04129 48 2PX 0.22120 0.07131 0.06547 -0.17872 0.09730 49 2PY 0.11375 0.16112 0.17426 -0.23605 -0.00298 50 2PZ 0.05034 -0.20229 0.02546 -0.05900 -0.06328 51 3S 0.27202 -0.95267 0.57509 0.97443 -0.19730 52 3PX -0.17009 -0.23221 -0.28363 0.25686 -0.19292 53 3PY -0.25375 -0.45452 -0.64310 0.65045 -0.08935 54 3PZ -0.39484 0.45467 -0.66261 -0.05484 0.20516 55 4XX 0.02253 0.02451 0.00099 -0.04548 0.00856 56 4YY -0.01612 -0.00380 0.02835 0.01701 -0.00641 57 4ZZ -0.00169 -0.02141 -0.02643 0.02660 -0.00917 58 4XY 0.00062 -0.02102 -0.00258 0.02251 -0.01102 59 4XZ 0.00213 -0.00216 0.01637 -0.00746 -0.01046 60 4YZ -0.05015 0.05557 -0.00007 -0.02726 0.02499 61 5 H 1S -0.15961 -0.03629 0.01136 0.02816 0.08470 62 2S 0.32041 -0.11161 -0.43476 -0.20951 -0.17889 63 6 H 1S -0.15954 -0.03616 -0.01137 0.02823 0.08472 64 2S 0.32053 -0.11166 0.43467 -0.20989 -0.17881 65 7 C 1S 0.00482 -0.00630 0.00771 0.00232 -0.02182 66 2S -0.13196 0.14666 -0.06514 0.03747 0.01834 67 2PX 0.01066 0.16289 0.14953 0.09576 0.02937 68 2PY -0.02952 0.09341 -0.45786 -0.11418 0.01693 69 2PZ -0.02769 0.20272 -0.16800 -0.02388 -0.01197 70 3S 0.12628 0.23362 1.02562 -0.13390 0.06199 71 3PX 0.12461 -0.10674 -0.61654 -0.23521 -0.04044 72 3PY 0.12415 -0.32995 1.70496 0.30790 -0.11606 73 3PZ 0.06498 -0.18959 0.36412 0.14839 -0.05644 74 4XX -0.01209 -0.02358 -0.01204 0.02511 -0.04623 75 4YY -0.02139 0.03113 0.07973 -0.01744 0.01787 76 4ZZ 0.01806 0.00374 -0.02497 0.02679 -0.01481 77 4XY -0.07017 0.03947 0.00314 0.00064 0.00227 78 4XZ -0.02707 -0.02695 0.01692 -0.05695 0.05356 79 4YZ 0.05115 0.01248 -0.01769 0.02228 -0.02976 80 8 C 1S 0.00483 -0.00630 -0.00772 0.00232 -0.02182 81 2S -0.13209 0.14611 0.06510 0.03738 0.01839 82 2PX 0.01077 0.16334 -0.14943 0.09579 0.02941 83 2PY 0.02964 -0.09280 -0.45787 0.11427 -0.01689 84 2PZ -0.02763 0.20276 0.16793 -0.02388 -0.01206 85 3S 0.12695 0.23691 -1.02546 -0.13357 0.06203 86 3PX 0.12434 -0.10819 0.61645 -0.23536 -0.04056 87 3PY -0.12456 0.32791 1.70505 -0.30816 0.11575 88 3PZ 0.06504 -0.18861 -0.36366 0.14847 -0.05621 89 4XX -0.01210 -0.02362 0.01203 0.02511 -0.04623 90 4YY -0.02135 0.03123 -0.07974 -0.01742 0.01786 91 4ZZ 0.01804 0.00370 0.02497 0.02676 -0.01479 92 4XY 0.07018 -0.03949 0.00314 -0.00063 -0.00228 93 4XZ -0.02706 -0.02696 -0.01690 -0.05695 0.05356 94 4YZ -0.05116 -0.01246 -0.01773 -0.02229 0.02977 95 9 H 1S -0.03188 0.13884 -0.02178 0.04557 -0.05992 96 2S -0.43287 -0.05403 0.10157 0.00547 0.03191 97 10 H 1S -0.03196 0.13865 0.02175 0.04546 -0.05991 98 2S -0.43272 -0.05384 -0.10147 0.00555 0.03198 99 11 C 1S -0.00494 0.02119 -0.00061 0.00547 -0.00248 100 2S 0.06879 0.08098 -0.01305 0.05602 0.04217 101 2PX 0.04980 0.18937 0.01351 0.01744 -0.02776 102 2PY 0.14854 -0.13621 0.22717 0.00298 0.03279 103 2PZ -0.05477 -0.02913 0.38735 -0.06981 -0.03302 104 3S -0.26780 0.14553 0.07868 -0.35977 -0.14392 105 3PX -0.21964 -0.65420 0.23015 0.00996 0.03140 106 3PY -0.45992 0.14951 -1.04894 -0.17411 -0.05966 107 3PZ 0.30523 0.14150 -1.30890 0.19094 -0.01537 108 4XX 0.00632 0.02777 -0.04699 0.02608 0.00364 109 4YY -0.01692 0.00217 0.01877 -0.00964 0.00598 110 4ZZ 0.01476 0.00981 0.02143 -0.00799 -0.00602 111 4XY -0.04705 0.00059 -0.00245 -0.00566 0.01019 112 4XZ 0.01873 -0.00566 0.01296 0.00612 0.01203 113 4YZ 0.02496 0.04251 -0.01033 0.00552 0.01624 114 12 H 1S 0.01818 0.08890 0.17666 -0.00371 -0.05373 115 2S 0.26080 0.15236 -0.54924 0.21727 0.08000 116 13 H 1S -0.05714 0.24699 -0.19031 0.11707 0.02710 117 2S 0.20354 0.20533 0.36145 -0.02026 -0.04394 118 14 C 1S -0.00494 0.02120 0.00062 0.00547 -0.00248 119 2S 0.06880 0.08092 0.01306 0.05601 0.04215 120 2PX 0.04983 0.18923 -0.01357 0.01740 -0.02760 121 2PY -0.14851 0.13639 0.22726 -0.00294 -0.03280 122 2PZ -0.05476 -0.02904 -0.38737 -0.06985 -0.03284 123 3S -0.26789 0.14577 -0.07862 -0.35960 -0.14396 124 3PX -0.21971 -0.65384 -0.22994 0.01004 0.03091 125 3PY 0.45965 -0.15053 -1.04931 0.17389 0.05968 126 3PZ 0.30514 0.14120 1.30880 0.19112 -0.01601 127 4XX 0.00631 0.02780 0.04701 0.02608 0.00365 128 4YY -0.01689 0.00217 -0.01877 -0.00964 0.00598 129 4ZZ 0.01474 0.00978 -0.02143 -0.00799 -0.00604 130 4XY 0.04706 -0.00058 -0.00242 0.00568 -0.01019 131 4XZ 0.01875 -0.00568 -0.01295 0.00611 0.01203 132 4YZ -0.02496 -0.04252 -0.01035 -0.00552 -0.01623 133 15 H 1S 0.01813 0.08871 -0.17668 -0.00373 -0.05373 134 2S 0.26072 0.15213 0.54933 0.21727 0.07965 135 16 H 1S -0.05711 0.24704 0.19038 0.11705 0.02711 136 2S 0.20347 0.20500 -0.36151 -0.02037 -0.04364 137 17 H 1S 0.30459 0.03192 0.15992 0.11627 -0.23283 138 2S -0.30899 -0.22550 -0.76524 0.03717 0.12850 139 18 H 1S 0.30457 0.03197 -0.15993 0.11633 -0.23285 140 2S -0.30905 -0.22627 0.76530 0.03707 0.12827 141 19 O 1S -0.01075 0.00576 -0.00410 0.00801 -0.00381 142 2S -0.03442 -0.02269 0.03049 -0.18145 0.17792 143 2PX 0.04288 0.07613 -0.01804 0.19281 -0.17581 144 2PY -0.16265 0.08064 0.01313 0.04389 -0.02573 145 2PZ 0.07635 0.00937 -0.00088 -0.07580 0.20052 146 3S 0.25883 -0.07731 -0.13730 0.00580 -0.14759 147 3PX 0.05345 -0.11327 0.10034 -0.26601 0.11900 148 3PY 0.19199 -0.03865 -0.12399 -0.23142 0.13601 149 3PZ 0.04960 0.02473 -0.02620 -0.06397 -0.31851 150 4XX -0.00694 0.00825 0.01902 -0.04719 0.07343 151 4YY 0.02050 -0.01745 -0.02965 -0.06176 0.06073 152 4ZZ -0.04608 -0.01048 0.01717 -0.05525 0.03660 153 4XY 0.01375 -0.00857 -0.03108 0.02248 -0.03531 154 4XZ 0.03084 -0.00711 0.00348 0.03577 0.00758 155 4YZ -0.03917 0.01432 0.01024 -0.03355 -0.02395 156 20 O 1S -0.01075 0.00577 0.00410 0.00801 -0.00382 157 2S -0.03440 -0.02257 -0.03040 -0.18142 0.17795 158 2PX 0.04288 0.07625 0.01802 0.19286 -0.17585 159 2PY 0.16262 -0.08065 0.01319 -0.04387 0.02570 160 2PZ 0.07638 0.00939 0.00092 -0.07576 0.20046 161 3S 0.25872 -0.07825 0.13719 0.00565 -0.14768 162 3PX 0.05341 -0.11363 -0.10033 -0.26606 0.11904 163 3PY -0.19196 0.03882 -0.12408 0.23145 -0.13594 164 3PZ 0.04958 0.02490 0.02613 -0.06395 -0.31849 165 4XX -0.00693 0.00829 -0.01900 -0.04719 0.07343 166 4YY 0.02048 -0.01745 0.02968 -0.06178 0.06072 167 4ZZ -0.04607 -0.01043 -0.01714 -0.05522 0.03662 168 4XY -0.01375 0.00861 -0.03109 -0.02249 0.03531 169 4XZ 0.03086 -0.00707 -0.00349 0.03577 0.00759 170 4YZ 0.03918 -0.01439 0.01025 0.03354 0.02395 171 21 C 1S -0.01024 -0.01308 0.00001 -0.03638 0.04841 172 2S -0.06036 0.09776 0.00003 -0.29448 0.17737 173 2PX 0.10442 -0.07452 -0.00002 -0.33805 -0.11372 174 2PY -0.00004 0.00002 0.00343 0.00001 0.00007 175 2PZ 0.25453 -0.04913 -0.00005 -0.54430 -0.68814 176 3S 0.01734 -0.15505 -0.00010 0.67897 -0.44904 177 3PX -0.65936 0.20869 0.00000 0.61373 0.35055 178 3PY 0.00003 -0.00012 -0.07796 -0.00006 -0.00011 179 3PZ -0.78236 0.14682 0.00015 1.32616 1.42404 180 4XX -0.05423 -0.01384 0.00001 -0.05373 -0.04490 181 4YY -0.05374 0.03182 -0.00001 -0.02645 0.01356 182 4ZZ 0.06081 -0.01812 0.00001 0.01007 0.11145 183 4XY 0.00002 0.00000 -0.01159 0.00001 0.00000 184 4XZ -0.11370 0.00881 0.00000 -0.06834 -0.07691 185 4YZ -0.00002 0.00000 0.01395 -0.00001 -0.00001 186 22 H 1S 0.33033 -0.14058 0.00004 0.00718 0.76010 187 2S -0.03549 0.06877 -0.00010 -1.06671 -1.32160 188 23 H 1S -0.42921 -0.10622 0.00002 -0.53926 -0.10179 189 2S -0.18986 0.23681 0.00006 1.03417 1.09326 91 92 93 94 95 V V V V V Eigenvalues -- 0.83567 0.84782 0.84911 0.85913 0.86661 1 1 C 1S -0.01250 -0.01446 -0.01503 0.00238 -0.02008 2 2S 0.25386 0.11429 -0.04163 0.05275 0.19906 3 2PX 0.03017 -0.02813 -0.33323 0.01762 -0.18890 4 2PY 0.35213 -0.15187 -0.43440 0.10290 -0.09691 5 2PZ 0.04062 0.08899 0.27546 -0.19400 0.45525 6 3S -1.50798 -0.57473 1.45126 0.40546 0.16842 7 3PX -0.19887 0.11388 1.39320 -0.03591 0.57338 8 3PY -0.79554 0.33166 1.95008 -0.34725 0.59512 9 3PZ 0.26945 -0.12441 -1.49212 0.25325 -1.43808 10 4XX 0.01686 0.01190 -0.01002 -0.03514 0.01871 11 4YY -0.04399 0.00418 0.06332 0.01869 0.03642 12 4ZZ 0.02807 -0.01550 -0.01937 0.01814 -0.00622 13 4XY -0.00167 0.00057 0.00841 -0.02051 -0.01836 14 4XZ -0.02264 0.01510 0.00488 0.01951 0.03006 15 4YZ -0.00641 0.00052 -0.00570 -0.00662 0.04854 16 2 C 1S -0.01294 0.01209 0.00769 0.00055 -0.02484 17 2S 0.06639 -0.00524 0.06928 0.09011 0.23062 18 2PX 0.13261 0.14489 0.25024 0.02708 -0.02277 19 2PY 0.00030 -0.17047 0.24133 0.04590 -0.23536 20 2PZ -0.00492 -0.02354 -0.16205 0.01898 0.12377 21 3S -0.32130 -0.20929 -1.44504 -0.05954 -0.78221 22 3PX -0.48956 -0.32260 -1.39708 0.19668 0.30426 23 3PY 0.28789 0.27751 -1.22474 0.00011 0.25892 24 3PZ 0.74771 0.39045 0.48625 -0.33020 -0.36023 25 4XX -0.03972 0.01098 0.01075 0.01117 0.05055 26 4YY 0.04020 0.01004 0.00026 -0.00271 -0.08246 27 4ZZ -0.01087 -0.00429 -0.03241 0.00409 0.03978 28 4XY -0.00202 0.00957 0.03197 -0.01351 -0.00920 29 4XZ 0.03136 0.00029 0.00022 -0.00558 -0.00510 30 4YZ 0.00530 0.00710 0.00127 0.00983 -0.04977 31 3 C 1S 0.01294 0.01207 -0.00770 0.00056 0.02483 32 2S -0.06629 -0.00521 -0.06926 0.09014 -0.23058 33 2PX -0.13259 0.14443 -0.25040 0.02724 0.02280 34 2PY 0.00019 0.17091 0.24106 -0.04599 -0.23514 35 2PZ 0.00505 -0.02339 0.16217 0.01883 -0.12390 36 3S 0.32092 -0.20741 1.44505 -0.06009 0.78233 37 3PX 0.48956 -0.32056 1.39787 0.19577 -0.30431 38 3PY 0.28835 -0.27930 -1.22385 0.00030 0.25819 39 3PZ -0.74816 0.38974 -0.48726 -0.32978 0.36064 40 4XX 0.03973 0.01100 -0.01076 0.01116 -0.05055 41 4YY -0.04020 0.00999 -0.00027 -0.00268 0.08247 42 4ZZ 0.01086 -0.00422 0.03243 0.00407 -0.03978 43 4XY -0.00199 -0.00954 0.03197 0.01350 -0.00923 44 4XZ -0.03137 0.00025 -0.00020 -0.00557 0.00510 45 4YZ 0.00529 -0.00709 0.00127 -0.00986 -0.04974 46 4 C 1S 0.01251 -0.01444 0.01504 0.00238 0.02009 47 2S -0.25398 0.11421 0.04151 0.05268 -0.19901 48 2PX -0.03029 -0.02782 0.33336 0.01755 0.18899 49 2PY 0.35204 0.15160 -0.43443 -0.10269 -0.09676 50 2PZ -0.04055 0.08870 -0.27569 -0.19409 -0.45526 51 3S 1.50860 -0.57563 -1.45032 0.40584 -0.16886 52 3PX 0.19911 0.11241 -1.39370 -0.03553 -0.57365 53 3PY -0.79517 -0.33022 1.94992 0.34659 0.59467 54 3PZ -0.26971 -0.12275 1.49260 0.25335 1.43846 55 4XX -0.01687 0.01190 0.01001 -0.03515 -0.01869 56 4YY 0.04398 0.00415 -0.06332 0.01872 -0.03643 57 4ZZ -0.02805 -0.01551 0.01938 0.01813 0.00623 58 4XY -0.00169 -0.00057 0.00844 0.02048 -0.01835 59 4XZ 0.02264 0.01511 -0.00489 0.01951 -0.03007 60 4YZ -0.00640 -0.00053 -0.00574 0.00664 0.04854 61 5 H 1S -0.00727 -0.08584 -0.17978 0.01265 -0.32303 62 2S -0.22427 0.33278 1.42266 -0.27007 1.28240 63 6 H 1S 0.00732 -0.08568 0.17981 0.01268 0.32302 64 2S 0.22414 0.33138 -1.42296 -0.26992 -1.28250 65 7 C 1S 0.01140 0.01837 0.01122 -0.00753 -0.00192 66 2S -0.20709 -0.10862 -0.01799 -0.17889 -0.03703 67 2PX 0.03435 -0.28126 0.01636 0.14926 0.06441 68 2PY 0.07554 0.17947 0.09782 -0.06875 -0.29333 69 2PZ 0.43100 0.18591 0.20966 -0.07153 -0.13771 70 3S -0.14327 0.27492 -0.02934 0.21883 0.57111 71 3PX 0.25686 0.43949 0.06888 -0.38597 -0.27766 72 3PY -0.86424 -0.36927 -0.06481 0.12920 0.85351 73 3PZ -1.63454 -0.45146 -0.72016 0.26030 0.42911 74 4XX -0.00628 -0.00606 -0.03308 0.03817 0.01770 75 4YY -0.02542 0.00690 -0.00860 -0.02732 0.03879 76 4ZZ -0.02270 -0.01040 0.03377 -0.01443 -0.03353 77 4XY -0.00161 -0.00519 -0.01220 -0.00298 0.01096 78 4XZ 0.01041 -0.01899 -0.00457 0.00251 0.01684 79 4YZ 0.00334 0.01477 0.00902 0.03390 -0.01819 80 8 C 1S -0.01141 0.01834 -0.01125 -0.00752 0.00193 81 2S 0.20704 -0.10831 0.01787 -0.17887 0.03731 82 2PX -0.03413 -0.28132 -0.01596 0.14922 -0.06446 83 2PY 0.07575 -0.17947 0.09807 0.06859 -0.29334 84 2PZ -0.43118 0.18536 -0.20986 -0.07131 0.13756 85 3S 0.14325 0.27440 0.02950 0.21832 -0.57155 86 3PX -0.25719 0.43943 -0.06956 -0.38572 0.27777 87 3PY -0.86488 0.36921 -0.06528 -0.12875 0.85357 88 3PZ 1.63472 -0.44948 0.72074 0.25951 -0.42876 89 4XX 0.00628 -0.00602 0.03310 0.03815 -0.01770 90 4YY 0.02540 0.00692 0.00857 -0.02732 -0.03875 91 4ZZ 0.02272 -0.01041 -0.03378 -0.01441 0.03353 92 4XY -0.00160 0.00518 -0.01219 0.00300 0.01091 93 4XZ -0.01041 -0.01901 0.00461 0.00250 -0.01683 94 4YZ 0.00333 -0.01476 0.00902 -0.03392 -0.01818 95 9 H 1S -0.00290 -0.01712 -0.15608 0.01234 0.27997 96 2S -0.03431 0.18532 0.62718 0.04667 -0.68901 97 10 H 1S 0.00290 -0.01681 0.15604 0.01220 -0.28006 98 2S 0.03426 0.18424 -0.62740 0.04693 0.68940 99 11 C 1S -0.00708 -0.00207 -0.00894 0.01127 -0.00078 100 2S 0.15879 -0.23668 0.11043 0.18752 -0.05343 101 2PX -0.38895 0.16812 -0.00338 0.39024 -0.18621 102 2PY 0.22261 -0.09797 0.18026 0.04247 -0.14431 103 2PZ -0.24042 0.31128 0.15289 0.28264 -0.18844 104 3S -0.14458 0.88500 -0.87386 -0.76136 0.07351 105 3PX 1.39316 -0.18110 0.25589 -0.62056 0.42780 106 3PY -1.09166 0.43698 -0.93044 -0.32886 0.51493 107 3PZ 0.41636 -0.45778 -1.14951 -0.36728 0.85215 108 4XX -0.01275 -0.06157 0.03294 -0.02707 0.00382 109 4YY 0.02647 -0.00716 0.02132 0.00218 -0.01358 110 4ZZ 0.00692 0.03948 -0.06737 0.05607 0.00072 111 4XY 0.00453 -0.04190 0.00447 -0.07055 0.01466 112 4XZ -0.00589 -0.02804 0.04340 0.02890 -0.00050 113 4YZ 0.00810 -0.08287 0.00616 -0.03931 -0.00628 114 12 H 1S -0.09514 0.28507 -0.15612 0.37599 0.01485 115 2S 0.65402 -0.85469 -0.07240 -0.43462 0.42653 116 13 H 1S -0.05962 -0.34762 0.12464 -0.17121 0.06942 117 2S -0.48239 0.33466 0.10780 0.85444 -0.56182 118 14 C 1S 0.00708 -0.00206 0.00895 0.01126 0.00078 119 2S -0.15869 -0.23696 -0.11017 0.18760 0.05350 120 2PX 0.38877 0.16836 0.00330 0.39034 0.18617 121 2PY 0.22260 0.09832 0.18014 -0.04257 -0.14428 122 2PZ 0.24026 0.31135 -0.15307 0.28286 0.18830 123 3S 0.14414 0.88625 0.87264 -0.76174 -0.07360 124 3PX -1.39275 -0.18224 -0.25572 -0.62075 -0.42773 125 3PY -1.09170 -0.43857 -0.93001 0.32953 0.51484 126 3PZ -0.41628 -0.45686 1.14967 -0.36838 -0.85197 127 4XX 0.01278 -0.06163 -0.03287 -0.02708 -0.00382 128 4YY -0.02647 -0.00722 -0.02133 0.00221 0.01361 129 4ZZ -0.00695 0.03959 0.06735 0.05605 -0.00074 130 4XY 0.00450 0.04189 0.00445 0.07053 0.01465 131 4XZ 0.00590 -0.02810 -0.04335 0.02892 0.00050 132 4YZ 0.00803 0.08288 0.00606 0.03931 -0.00628 133 15 H 1S 0.09489 0.28539 0.15599 0.37590 -0.01490 134 2S -0.65344 -0.85515 0.07311 -0.43494 -0.42638 135 16 H 1S 0.05987 -0.34775 -0.12425 -0.17118 -0.06944 136 2S 0.48214 0.33496 -0.10791 0.85479 0.56172 137 17 H 1S -0.01643 0.09781 -0.22837 0.00680 0.23058 138 2S 1.13695 -0.48456 0.52217 0.13441 -0.63594 139 18 H 1S 0.01648 0.09802 0.22823 0.00658 -0.23067 140 2S -1.13676 -0.48584 -0.52170 0.13505 0.63627 141 19 O 1S -0.00563 -0.00134 -0.00255 0.00110 -0.00061 142 2S -0.05965 -0.08353 0.03945 0.04949 0.06787 143 2PX 0.03270 0.06114 -0.02016 -0.04895 0.04438 144 2PY 0.00377 0.03335 -0.04188 -0.02098 -0.01546 145 2PZ 0.10964 0.02583 -0.01477 0.00312 0.06112 146 3S 0.44825 0.32590 0.10637 -0.32800 -0.21284 147 3PX 0.13632 -0.03406 0.13979 -0.02745 -0.06200 148 3PY 0.10135 0.06215 0.04507 -0.04707 -0.03200 149 3PZ -0.04456 -0.06622 0.00020 -0.00481 -0.05704 150 4XX -0.01362 0.00668 0.03785 -0.04701 0.01165 151 4YY -0.01387 -0.03624 0.01542 0.05668 -0.00091 152 4ZZ -0.01919 -0.04026 -0.01268 0.02837 0.03899 153 4XY 0.01598 -0.01919 0.01331 0.03676 -0.01762 154 4XZ -0.00865 -0.01952 0.00044 0.02891 -0.01099 155 4YZ 0.00542 -0.02710 -0.01175 0.00726 0.01496 156 20 O 1S 0.00563 -0.00134 0.00254 0.00110 0.00061 157 2S 0.05968 -0.08356 -0.03926 0.04951 -0.06785 158 2PX -0.03273 0.06111 0.02002 -0.04896 -0.04429 159 2PY 0.00383 -0.03343 -0.04176 0.02100 -0.01547 160 2PZ -0.10972 0.02573 0.01480 0.00311 -0.06109 161 3S -0.44844 0.32558 -0.10696 -0.32783 0.21286 162 3PX -0.13629 -0.03431 -0.13972 -0.02728 0.06189 163 3PY 0.10139 -0.06203 0.04501 0.04702 -0.03201 164 3PZ 0.04470 -0.06618 -0.00016 -0.00481 0.05704 165 4XX 0.01359 0.00664 -0.03788 -0.04699 -0.01161 166 4YY 0.01389 -0.03625 -0.01530 0.05669 0.00087 167 4ZZ 0.01921 -0.04025 0.01276 0.02836 -0.03896 168 4XY 0.01595 0.01921 0.01326 -0.03680 -0.01759 169 4XZ 0.00867 -0.01951 -0.00040 0.02890 0.01096 170 4YZ 0.00539 0.02710 -0.01179 -0.00724 0.01495 171 21 C 1S 0.00001 -0.02389 0.00003 0.02833 -0.00001 172 2S -0.00014 0.31697 -0.00033 -0.59471 0.00023 173 2PX 0.00008 -0.19428 0.00019 0.21555 -0.00006 174 2PY -0.00078 0.00001 -0.00219 0.00001 0.00929 175 2PZ 0.00016 -0.19949 0.00007 -0.11638 0.00010 176 3S 0.00027 -0.61678 0.00063 1.22626 -0.00051 177 3PX -0.00027 0.53287 -0.00053 -0.50048 0.00016 178 3PY -0.00696 -0.00008 -0.09535 0.00002 -0.00535 179 3PZ -0.00027 0.29201 -0.00002 0.49258 -0.00029 180 4XX 0.00004 -0.06521 0.00006 0.07534 -0.00002 181 4YY -0.00003 0.06292 -0.00008 -0.11127 0.00004 182 4ZZ -0.00002 0.01436 0.00000 -0.00164 -0.00001 183 4XY -0.00331 0.00001 0.01039 0.00000 -0.00181 184 4XZ 0.00003 -0.04604 0.00003 0.02633 0.00001 185 4YZ -0.00987 0.00000 0.00671 -0.00001 -0.00534 186 22 H 1S -0.00009 -0.00162 0.00009 0.18049 -0.00011 187 2S 0.00017 -0.02523 -0.00023 -0.75964 0.00041 188 23 H 1S 0.00017 -0.40935 0.00039 0.47380 -0.00012 189 2S -0.00050 0.92066 -0.00078 -0.79013 0.00018 96 97 98 99 100 V V V V V Eigenvalues -- 0.88232 0.88805 0.89108 0.89726 0.90402 1 1 C 1S -0.02135 -0.00680 -0.00466 0.00554 -0.00764 2 2S 0.01114 0.10174 0.14370 -0.01999 0.32317 3 2PX -0.21910 -0.07779 0.06379 -0.00428 -0.19864 4 2PY -0.12677 0.24804 -0.09337 -0.08489 -0.20409 5 2PZ 0.26869 0.38520 -0.18924 -0.05543 0.36298 6 3S 0.25164 0.06286 -1.07410 -0.75951 -0.90310 7 3PX 0.39108 0.32418 -0.35926 0.05411 0.50376 8 3PY 0.19432 -1.47850 0.48868 0.66770 0.63563 9 3PZ -0.87716 -2.04294 1.23669 0.10126 -0.87947 10 4XX 0.02896 0.02089 0.01250 -0.00050 0.02033 11 4YY -0.01103 -0.02739 0.01768 -0.03659 0.00911 12 4ZZ -0.02051 0.03481 -0.04458 0.02687 0.02660 13 4XY -0.03164 -0.00482 0.00549 0.06956 -0.01820 14 4XZ -0.00053 -0.02679 0.00992 -0.03460 0.04269 15 4YZ 0.07047 0.02092 0.00342 -0.04749 0.04591 16 2 C 1S 0.00054 -0.01291 -0.01885 0.01044 0.01557 17 2S -0.13905 -0.06864 0.36479 -0.13183 -0.01538 18 2PX -0.02555 -0.20297 -0.00432 0.01522 -0.00090 19 2PY 0.21477 0.08391 -0.56264 0.10812 0.24417 20 2PZ 0.08238 0.18594 -0.22057 -0.06084 -0.01844 21 3S -0.18043 -0.84694 -0.34195 0.35993 -0.09790 22 3PX 0.09560 0.71816 -0.49846 -0.46899 -0.15714 23 3PY -0.76145 -0.45400 1.66317 -0.42247 -0.79076 24 3PZ -0.45361 -1.62332 1.11082 0.85384 0.22269 25 4XX -0.01883 -0.01325 0.02544 0.01858 -0.00325 26 4YY 0.00702 -0.00987 -0.06499 0.00383 0.03558 27 4ZZ -0.03108 -0.01745 0.08000 -0.03198 -0.03979 28 4XY 0.02632 0.00759 -0.02749 0.00939 0.00296 29 4XZ 0.02745 0.03113 -0.00586 -0.02195 -0.03278 30 4YZ -0.01744 -0.05797 0.04533 0.03361 -0.01632 31 3 C 1S 0.00058 0.01292 0.01885 0.01044 0.01558 32 2S -0.13945 0.06866 -0.36458 -0.13192 -0.01560 33 2PX -0.02531 0.20297 0.00455 0.01513 -0.00089 34 2PY -0.21550 0.08412 -0.56222 -0.10826 -0.24434 35 2PZ 0.08240 -0.18599 0.22042 -0.06072 -0.01834 36 3S -0.17979 0.84710 0.34188 0.35976 -0.09754 37 3PX 0.09504 -0.71819 0.49802 -0.46855 -0.15679 38 3PY 0.76352 -0.45469 1.66227 0.42278 0.79126 39 3PZ -0.45342 1.62382 -1.11019 0.85295 0.22194 40 4XX -0.01886 0.01328 -0.02539 0.01857 -0.00324 41 4YY 0.00712 0.00989 0.06493 0.00385 0.03558 42 4ZZ -0.03118 0.01743 -0.07993 -0.03202 -0.03982 43 4XY -0.02637 0.00761 -0.02749 -0.00940 -0.00297 44 4XZ 0.02744 -0.03114 0.00583 -0.02193 -0.03278 45 4YZ 0.01745 -0.05801 0.04534 -0.03359 0.01635 46 4 C 1S -0.02134 0.00682 0.00468 0.00554 -0.00763 47 2S 0.01081 -0.10178 -0.14384 -0.02006 0.32303 48 2PX -0.21917 0.07787 -0.06346 -0.00428 -0.19867 49 2PY 0.12674 0.24813 -0.09360 0.08470 0.20392 50 2PZ 0.26858 -0.38530 0.18882 -0.05536 0.36308 51 3S 0.25312 -0.06325 1.07424 -0.75905 -0.90239 52 3PX 0.39142 -0.32406 0.35856 0.05426 0.50393 53 3PY -0.19455 -1.47922 0.48948 -0.66678 -0.63488 54 3PZ -0.87717 2.04308 -1.23540 0.10038 -0.88014 55 4XX 0.02891 -0.02089 -0.01253 -0.00048 0.02032 56 4YY -0.01100 0.02737 -0.01767 -0.03666 0.00913 57 4ZZ -0.02051 -0.03478 0.04459 0.02692 0.02659 58 4XY 0.03164 -0.00489 0.00545 -0.06954 0.01820 59 4XZ -0.00052 0.02677 -0.00992 -0.03465 0.04271 60 4YZ -0.07043 0.02100 0.00348 0.04746 -0.04591 61 5 H 1S -0.26151 -0.04346 0.03316 0.31310 -0.18747 62 2S 0.83037 0.58295 -0.28939 -0.08073 1.15479 63 6 H 1S -0.26142 0.04373 -0.03286 0.31320 -0.18748 64 2S 0.83013 -0.58341 0.28816 -0.08085 1.15479 65 7 C 1S -0.00489 -0.00326 0.00751 0.00911 -0.00625 66 2S -0.39770 -0.14914 0.03118 -0.21423 0.36050 67 2PX 0.15078 0.05265 -0.00046 -0.14326 0.00947 68 2PY 0.14612 0.11962 0.09799 0.13273 -0.16697 69 2PZ 0.23061 0.23746 0.21019 0.18799 -0.25259 70 3S 0.96433 0.20220 -0.52392 0.49921 -0.83161 71 3PX -0.19086 0.11953 0.26767 0.34793 -0.10279 72 3PY -0.39906 -0.54066 -0.67933 -0.25370 0.45258 73 3PZ -0.43062 -0.83600 -0.78712 -0.44423 0.58979 74 4XX -0.03895 -0.01943 -0.02123 -0.02172 0.02827 75 4YY -0.01890 -0.02140 -0.02187 -0.01304 0.01992 76 4ZZ -0.00332 -0.00287 0.02033 0.01892 0.00552 77 4XY -0.02730 -0.00249 -0.00117 -0.04093 0.04943 78 4XZ 0.00387 0.00817 -0.00978 -0.05603 0.00385 79 4YZ 0.05371 0.00733 0.01583 0.01928 -0.05180 80 8 C 1S -0.00490 0.00326 -0.00750 0.00910 -0.00625 81 2S -0.39769 0.14926 -0.03096 -0.21432 0.36040 82 2PX 0.15074 -0.05282 0.00026 -0.14326 0.00948 83 2PY -0.14610 0.11969 0.09808 -0.13293 0.16706 84 2PZ 0.23031 -0.23751 -0.21035 0.18808 -0.25260 85 3S 0.96479 -0.20247 0.52328 0.49946 -0.83113 86 3PX -0.19120 -0.11928 -0.26747 0.34791 -0.10308 87 3PY 0.39831 -0.54089 -0.67968 0.25418 -0.45298 88 3PZ -0.42954 0.83599 0.78723 -0.44438 0.59008 89 4XX -0.03893 0.01944 0.02127 -0.02173 0.02828 90 4YY -0.01885 0.02141 0.02188 -0.01306 0.01990 91 4ZZ -0.00335 0.00288 -0.02035 0.01893 0.00553 92 4XY 0.02730 -0.00250 -0.00119 0.04095 -0.04943 93 4XZ 0.00387 -0.00820 0.00979 -0.05604 0.00384 94 4YZ -0.05370 0.00735 0.01588 -0.01929 0.05180 95 9 H 1S 0.12074 0.00804 0.34291 0.05377 0.27983 96 2S -0.58018 0.18613 -1.46251 -0.38762 -0.70964 97 10 H 1S 0.12022 -0.00813 -0.34323 0.05378 0.27976 98 2S -0.57828 -0.18596 1.46361 -0.38722 -0.70916 99 11 C 1S 0.00606 -0.00292 -0.00259 -0.02600 -0.00466 100 2S -0.41321 0.17294 -0.01445 -0.02928 0.19119 101 2PX -0.10033 0.44451 0.05111 -0.05773 0.11026 102 2PY -0.10049 -0.11288 0.07024 0.01966 0.00376 103 2PZ 0.13690 0.23744 0.33657 -0.04371 0.11735 104 3S 0.72200 -0.21480 0.28227 0.75942 0.05608 105 3PX 0.09277 -1.51583 0.07548 -0.08280 -0.37020 106 3PY 0.05475 0.90320 -0.73494 0.30438 0.07299 107 3PZ -0.25165 -0.42182 -1.16539 0.19537 -0.21954 108 4XX 0.01073 -0.03549 -0.01362 -0.03490 -0.01977 109 4YY -0.07125 0.00137 0.00117 0.03682 0.03704 110 4ZZ -0.00707 0.05814 0.01591 -0.01897 0.02127 111 4XY 0.07031 -0.02944 0.02385 0.00857 0.00994 112 4XZ 0.00607 -0.02386 -0.02676 -0.03472 -0.04778 113 4YZ -0.00880 0.00301 -0.03641 0.05582 0.01272 114 12 H 1S 0.02979 0.17694 0.02072 -0.32012 -0.10530 115 2S -0.29225 -0.72302 -0.69430 0.23343 -0.16401 116 13 H 1S 0.29708 -0.27496 -0.11349 -0.21168 -0.12972 117 2S -0.46987 1.08768 0.31853 -0.02456 0.39454 118 14 C 1S 0.00606 0.00290 0.00259 -0.02600 -0.00465 119 2S -0.41322 -0.17269 0.01483 -0.02919 0.19116 120 2PX -0.10064 -0.44438 -0.05085 -0.05752 0.11023 121 2PY 0.10033 -0.11308 0.07013 -0.01962 -0.00366 122 2PZ 0.13649 -0.23758 -0.33664 -0.04368 0.11719 123 3S 0.72153 0.21457 -0.28316 0.75925 0.05617 124 3PX 0.09372 1.51538 -0.07557 -0.08347 -0.37038 125 3PY -0.05443 0.90354 -0.73501 -0.30512 -0.07384 126 3PZ -0.25075 0.42225 1.16541 0.19532 -0.21894 127 4XX 0.01080 0.03548 0.01358 -0.03490 -0.01974 128 4YY -0.07127 -0.00133 -0.00108 0.03683 0.03703 129 4ZZ -0.00713 -0.05814 -0.01590 -0.01897 0.02125 130 4XY -0.07028 -0.02940 0.02396 -0.00857 -0.00994 131 4XZ 0.00610 0.02384 0.02678 -0.03471 -0.04778 132 4YZ 0.00874 0.00299 -0.03638 -0.05582 -0.01274 133 15 H 1S 0.02961 -0.17711 -0.02062 -0.32004 -0.10536 134 2S -0.29124 0.72328 0.69439 0.23314 -0.16371 135 16 H 1S 0.29735 0.27467 0.11307 -0.21178 -0.12963 136 2S -0.47066 -1.08730 -0.31778 -0.02412 0.39431 137 17 H 1S 0.14581 -0.06543 -0.15920 0.16371 -0.22156 138 2S -0.76204 0.78371 0.70003 -0.68064 0.92332 139 18 H 1S 0.14591 0.06541 0.15907 0.16353 -0.22157 140 2S -0.76290 -0.78354 -0.69952 -0.68014 0.92308 141 19 O 1S -0.00654 -0.00312 -0.00205 -0.00257 0.00884 142 2S 0.06954 0.01690 0.01110 -0.22847 -0.02624 143 2PX -0.09039 0.06259 0.00438 -0.03047 0.07714 144 2PY -0.07758 -0.04279 -0.00117 0.20600 0.15545 145 2PZ -0.05068 0.08822 0.01985 -0.09998 0.08497 146 3S -0.08906 0.10439 0.19058 0.28773 -0.15897 147 3PX 0.06678 -0.00270 0.08754 0.16554 -0.13361 148 3PY 0.21567 0.11027 0.05418 -0.26982 -0.34772 149 3PZ 0.04556 -0.05059 -0.02656 0.06646 -0.12721 150 4XX -0.00989 0.00648 0.01087 -0.07684 -0.00313 151 4YY 0.06133 0.00883 0.01545 -0.06123 -0.03347 152 4ZZ 0.00614 0.00325 -0.01259 -0.09615 0.00736 153 4XY 0.01310 0.01409 0.02008 0.03746 -0.00435 154 4XZ 0.02069 0.00265 -0.01089 0.01819 -0.00750 155 4YZ 0.00500 0.00704 -0.00350 -0.03303 0.01018 156 20 O 1S -0.00653 0.00313 0.00205 -0.00256 0.00884 157 2S 0.06951 -0.01702 -0.01112 -0.22849 -0.02621 158 2PX -0.09044 -0.06258 -0.00432 -0.03044 0.07714 159 2PY 0.07757 -0.04291 -0.00115 -0.20597 -0.15540 160 2PZ -0.05074 -0.08821 -0.01978 -0.10004 0.08488 161 3S -0.08931 -0.10423 -0.19048 0.28773 -0.15918 162 3PX 0.06673 0.00272 -0.08758 0.16545 -0.13372 163 3PY -0.21557 0.11047 0.05421 0.26977 0.34768 164 3PZ 0.04560 0.05058 0.02651 0.06659 -0.12701 165 4XX -0.00990 -0.00650 -0.01085 -0.07684 -0.00312 166 4YY 0.06131 -0.00888 -0.01548 -0.06125 -0.03346 167 4ZZ 0.00615 -0.00328 0.01260 -0.09615 0.00738 168 4XY -0.01308 0.01408 0.02010 -0.03747 0.00436 169 4XZ 0.02071 -0.00265 0.01087 0.01820 -0.00749 170 4YZ -0.00499 0.00705 -0.00351 0.03304 -0.01020 171 21 C 1S 0.01458 0.00000 -0.00001 -0.00425 0.01177 172 2S -0.12130 -0.00010 0.00012 -0.79098 -0.10164 173 2PX 0.00981 0.00006 -0.00003 0.27495 0.06511 174 2PY 0.00003 0.00342 0.00625 0.00002 0.00000 175 2PZ -0.20265 0.00003 0.00009 -0.15267 -0.02863 176 3S 0.15160 0.00031 -0.00026 2.08147 0.36052 177 3PX -0.20516 -0.00001 0.00008 -0.22262 0.15412 178 3PY -0.00009 0.00902 -0.06147 -0.00005 -0.00003 179 3PZ 0.74338 -0.00019 -0.00032 0.09564 -0.05913 180 4XX 0.05563 -0.00002 -0.00002 -0.02244 -0.01681 181 4YY -0.05517 0.00001 0.00003 -0.03571 0.01915 182 4ZZ -0.00944 0.00000 0.00000 0.00222 0.02531 183 4XY 0.00001 0.01254 0.00059 -0.00001 -0.00001 184 4XZ -0.00024 0.00000 0.00000 -0.01683 0.01495 185 4YZ -0.00001 -0.00489 -0.00418 0.00000 0.00001 186 22 H 1S 0.02087 0.00006 -0.00003 0.23788 0.18564 187 2S -0.53298 0.00000 0.00030 -0.80021 -0.16566 188 23 H 1S 0.20661 0.00000 -0.00011 0.16742 0.05300 189 2S -0.04367 -0.00014 0.00008 -0.66451 -0.06472 101 102 103 104 105 V V V V V Eigenvalues -- 0.91949 0.95056 0.96227 0.97337 0.98560 1 1 C 1S -0.00330 -0.00178 0.00183 0.00022 -0.01005 2 2S 0.29409 -0.23101 0.13968 -0.41399 -0.47081 3 2PX 0.03954 0.13849 0.05345 -0.02776 -0.07733 4 2PY -0.10517 0.12460 0.19167 0.22529 -0.08723 5 2PZ 0.09015 -0.16168 0.06441 0.03424 -0.06206 6 3S -0.45313 0.64559 -0.56167 1.29560 2.00059 7 3PX -0.12670 -0.22383 0.10725 0.43742 -0.07661 8 3PY -0.06249 -0.26458 -1.00042 -1.98236 0.70020 9 3PZ -0.00022 0.25027 -0.60284 -1.16895 0.52177 10 4XX 0.02941 -0.00714 0.00573 -0.01882 -0.03156 11 4YY 0.04952 -0.02603 -0.02120 -0.03617 0.00082 12 4ZZ -0.03563 0.00570 0.02246 0.00814 -0.03675 13 4XY -0.03044 -0.01272 0.01631 0.00658 -0.02417 14 4XZ 0.00678 -0.00223 -0.02805 -0.02086 0.02832 15 4YZ 0.04626 -0.02891 -0.00582 0.00980 0.03073 16 2 C 1S -0.00459 -0.00595 0.00522 -0.00838 -0.01181 17 2S 0.31144 -0.30308 0.01760 0.16819 -0.14206 18 2PX -0.04561 -0.04967 0.03405 0.02384 -0.00372 19 2PY -0.38757 0.27605 0.01892 -0.18979 0.04391 20 2PZ -0.07834 -0.00671 0.04945 0.27817 0.21108 21 3S -0.66522 0.84219 -0.48349 -1.70581 0.72620 22 3PX 0.17120 0.21584 -0.16185 0.24320 0.21446 23 3PY 0.80648 -0.34698 -0.13490 0.27460 -0.19038 24 3PZ -0.05395 -0.19680 -0.54715 -2.11689 -0.57521 25 4XX -0.00386 -0.03732 0.01879 0.07710 0.00589 26 4YY -0.02878 0.02240 0.00614 -0.01799 -0.05909 27 4ZZ 0.08430 -0.03672 -0.02272 -0.07328 0.02613 28 4XY -0.01545 0.00401 0.05137 0.04806 -0.02969 29 4XZ 0.01147 0.02587 -0.02626 0.02440 -0.00075 30 4YZ -0.01145 -0.00127 0.01510 0.02650 -0.02532 31 3 C 1S -0.00458 -0.00594 -0.00522 0.00838 0.01181 32 2S 0.31140 -0.30327 -0.01783 -0.16831 0.14202 33 2PX -0.04569 -0.04959 -0.03406 -0.02381 0.00372 34 2PY 0.38756 -0.27618 0.01868 -0.18987 0.04390 35 2PZ -0.07838 -0.00678 -0.04946 -0.27822 -0.21108 36 3S -0.66499 0.84286 0.48410 1.70612 -0.72616 37 3PX 0.17121 0.21579 0.16204 -0.24322 -0.21440 38 3PY -0.80640 0.34748 -0.13452 0.27455 -0.19066 39 3PZ -0.05349 -0.19680 0.54712 2.11723 0.57521 40 4XX -0.00388 -0.03730 -0.01882 -0.07710 -0.00590 41 4YY -0.02877 0.02239 -0.00611 0.01799 0.05911 42 4ZZ 0.08432 -0.03673 0.02269 0.07328 -0.02614 43 4XY 0.01547 -0.00406 0.05135 0.04802 -0.02972 44 4XZ 0.01147 0.02584 0.02628 -0.02439 0.00075 45 4YZ 0.01143 0.00129 0.01510 0.02648 -0.02528 46 4 C 1S -0.00330 -0.00178 -0.00184 -0.00021 0.01005 47 2S 0.29421 -0.23095 -0.13986 0.41402 0.47072 48 2PX 0.03951 0.13861 -0.05337 0.02765 0.07735 49 2PY 0.10529 -0.12460 0.19161 0.22535 -0.08727 50 2PZ 0.09020 -0.16172 -0.06450 -0.03415 0.06208 51 3S -0.45339 0.64550 0.56205 -1.29593 -2.00046 52 3PX -0.12668 -0.22401 -0.10719 -0.43686 0.07645 53 3PY 0.06169 0.26450 -1.00054 -1.98303 0.70045 54 3PZ -0.00019 0.25025 0.60275 1.16833 -0.52162 55 4XX 0.02941 -0.00714 -0.00574 0.01882 0.03157 56 4YY 0.04957 -0.02604 0.02118 0.03616 -0.00085 57 4ZZ -0.03566 0.00572 -0.02245 -0.00813 0.03675 58 4XY 0.03043 0.01271 0.01629 0.00656 -0.02413 59 4XZ 0.00681 -0.00224 0.02805 0.02086 -0.02833 60 4YZ -0.04623 0.02891 -0.00578 0.00983 0.03071 61 5 H 1S -0.28598 0.09414 0.12576 0.16354 -0.17213 62 2S 0.34950 -0.49395 -0.03159 -0.39378 -0.24631 63 6 H 1S -0.28602 0.09422 -0.12562 -0.16344 0.17207 64 2S 0.34984 -0.49400 0.03125 0.39398 0.24631 65 7 C 1S 0.00373 0.00230 0.00986 0.01328 -0.00073 66 2S 0.12459 0.24942 0.19024 -0.04709 -0.64286 67 2PX -0.09305 -0.15006 0.04020 0.05848 -0.02037 68 2PY -0.03900 -0.07766 0.07898 -0.05722 -0.05214 69 2PZ 0.04487 -0.06239 0.08619 0.00463 0.26754 70 3S -0.18168 -0.67246 -1.06334 0.19902 2.50825 71 3PX 0.15088 0.30262 0.07912 -0.63734 -0.40938 72 3PY 0.08810 0.29836 -0.66501 0.29463 0.62091 73 3PZ -0.02567 0.14359 -0.52795 0.19392 -0.72067 74 4XX 0.02841 0.00519 -0.00122 -0.01166 -0.00746 75 4YY -0.00142 0.00944 -0.00904 0.00977 0.00058 76 4ZZ 0.00310 0.00925 0.01371 0.01907 -0.02250 77 4XY 0.02313 -0.01127 -0.01149 -0.00043 0.00700 78 4XZ -0.02628 -0.01703 0.00278 0.01190 -0.01173 79 4YZ 0.01465 -0.07992 0.00313 0.00799 0.01046 80 8 C 1S 0.00373 0.00231 -0.00986 -0.01329 0.00074 81 2S 0.12448 0.24956 -0.19012 0.04705 0.64297 82 2PX -0.09305 -0.15005 -0.04031 -0.05839 0.02033 83 2PY 0.03906 0.07757 0.07906 -0.05721 -0.05213 84 2PZ 0.04488 -0.06241 -0.08626 -0.00469 -0.26749 85 3S -0.18113 -0.67339 1.06296 -0.19878 -2.50823 86 3PX 0.15103 0.30280 -0.07886 0.63724 0.40946 87 3PY -0.08836 -0.29783 -0.66532 0.29475 0.62086 88 3PZ -0.02572 0.14335 0.52797 -0.19370 0.72079 89 4XX 0.02841 0.00519 0.00123 0.01167 0.00744 90 4YY -0.00141 0.00939 0.00904 -0.00977 -0.00057 91 4ZZ 0.00308 0.00929 -0.01371 -0.01908 0.02252 92 4XY -0.02313 0.01128 -0.01148 -0.00044 0.00696 93 4XZ -0.02628 -0.01701 -0.00278 -0.01189 0.01173 94 4YZ -0.01465 0.07993 0.00319 0.00799 0.01045 95 9 H 1S -0.29940 0.18709 -0.04277 0.08068 0.08780 96 2S 0.93925 -0.59476 0.14526 -0.46023 -0.00359 97 10 H 1S -0.29946 0.18704 0.04292 -0.08063 -0.08765 98 2S 0.93932 -0.59430 -0.14584 0.45982 0.00346 99 11 C 1S 0.01139 0.00820 0.02506 -0.00752 0.00996 100 2S -0.21559 -0.39420 -0.70427 0.17473 -0.18462 101 2PX -0.15061 -0.30676 -0.20016 0.04005 -0.10952 102 2PY -0.00988 -0.19610 -0.21223 -0.01799 -0.17256 103 2PZ -0.17919 0.19504 0.25221 -0.08230 0.02691 104 3S 0.19501 0.80465 1.64235 0.02152 0.49437 105 3PX 0.39650 0.58468 0.11409 -0.74191 0.05439 106 3PY 0.03951 0.16849 0.43281 0.55850 0.90891 107 3PZ 0.22518 -0.32009 -0.75654 -0.12936 0.16140 108 4XX 0.03286 0.00020 0.02844 0.10918 -0.03227 109 4YY -0.04090 -0.07176 -0.04729 0.00714 -0.02118 110 4ZZ -0.01778 0.00944 -0.04871 -0.09482 0.03779 111 4XY -0.00978 0.00394 0.01983 0.01479 0.00560 112 4XZ 0.02099 0.03066 0.06514 -0.03665 -0.00146 113 4YZ -0.03206 -0.06576 -0.00838 0.02979 -0.01079 114 12 H 1S 0.10630 0.38334 0.32183 -0.45478 0.25600 115 2S 0.05706 -0.74629 -1.05358 0.37214 -0.51826 116 13 H 1S 0.15871 0.21060 0.54832 0.14267 0.07342 117 2S -0.47322 -0.66872 -0.93368 -0.00476 -0.35368 118 14 C 1S 0.01139 0.00822 -0.02506 0.00752 -0.00996 119 2S -0.21555 -0.39476 0.70399 -0.17455 0.18479 120 2PX -0.15057 -0.30695 0.19999 -0.03999 0.10960 121 2PY 0.00984 0.19617 -0.21199 -0.01804 -0.17252 122 2PZ -0.17918 0.19517 -0.25204 0.08236 -0.02695 123 3S 0.19477 0.80576 -1.64161 -0.02172 -0.49462 124 3PX 0.39656 0.58470 -0.11386 0.74155 -0.05464 125 3PY -0.03912 -0.16878 0.43250 0.55873 0.90887 126 3PZ 0.22521 -0.32016 0.75630 0.12938 -0.16129 127 4XX 0.03284 0.00021 -0.02845 -0.10920 0.03228 128 4YY -0.04090 -0.07182 0.04725 -0.00712 0.02121 129 4ZZ -0.01775 0.00944 0.04872 0.09484 -0.03779 130 4XY 0.00980 -0.00393 0.01982 0.01474 0.00560 131 4XZ 0.02099 0.03071 -0.06512 0.03662 0.00144 132 4YZ 0.03207 0.06576 -0.00836 0.02974 -0.01077 133 15 H 1S 0.10638 0.38364 -0.32155 0.45466 -0.25606 134 2S 0.05709 -0.74684 1.05293 -0.37207 0.51829 135 16 H 1S 0.15866 0.21105 -0.54818 -0.14272 -0.07348 136 2S -0.47306 -0.66943 0.93322 0.00500 0.35381 137 17 H 1S 0.01100 -0.15512 -0.05330 -0.17767 -0.18524 138 2S 0.05159 0.57693 0.43605 -0.10255 0.86949 139 18 H 1S 0.01108 -0.15508 0.05316 0.17761 0.18527 140 2S 0.05154 0.57701 -0.43556 0.10261 -0.86952 141 19 O 1S 0.00305 0.00300 -0.00211 0.00136 -0.00232 142 2S -0.08005 -0.08942 0.10180 0.19501 -0.21929 143 2PX 0.11504 0.02830 0.02001 -0.04353 -0.05853 144 2PY 0.15133 0.10392 -0.08888 -0.23630 0.06533 145 2PZ 0.04847 -0.02433 0.11117 -0.14185 -0.32048 146 3S 0.01608 0.16736 -0.02020 -0.54846 0.29802 147 3PX -0.06905 0.06681 0.10285 0.01609 -0.03498 148 3PY -0.27599 -0.22154 0.18424 0.29836 -0.15365 149 3PZ -0.05884 0.03338 -0.16010 0.23836 0.59694 150 4XX -0.03935 0.01358 0.04772 0.07279 -0.10710 151 4YY -0.02901 -0.06257 0.02844 0.02161 -0.07284 152 4ZZ -0.02122 -0.03378 0.02372 0.07956 -0.03746 153 4XY 0.02842 -0.00123 0.01337 -0.00088 -0.01077 154 4XZ -0.00960 -0.01253 -0.00891 0.01055 0.01984 155 4YZ -0.01981 -0.01954 -0.00567 -0.00001 0.00771 156 20 O 1S 0.00305 0.00299 0.00211 -0.00136 0.00232 157 2S -0.08008 -0.08935 -0.10187 -0.19498 0.21933 158 2PX 0.11506 0.02829 -0.01996 0.04352 0.05853 159 2PY -0.15139 -0.10381 -0.08890 -0.23631 0.06519 160 2PZ 0.04847 -0.02429 -0.11115 0.14184 0.32046 161 3S 0.01617 0.16740 0.02033 0.54831 -0.29813 162 3PX -0.06907 0.06690 -0.10287 -0.01617 0.03500 163 3PY 0.27606 0.22131 0.18431 0.29835 -0.15343 164 3PZ -0.05883 0.03328 0.16009 -0.23835 -0.59690 165 4XX -0.03936 0.01362 -0.04772 -0.07279 0.10713 166 4YY -0.02904 -0.06257 -0.02848 -0.02159 0.07283 167 4ZZ -0.02122 -0.03376 -0.02375 -0.07954 0.03748 168 4XY -0.02842 0.00123 0.01336 -0.00087 -0.01075 169 4XZ -0.00961 -0.01253 0.00891 -0.01055 -0.01986 170 4YZ 0.01981 0.01954 -0.00567 -0.00001 0.00772 171 21 C 1S -0.00176 -0.00921 0.00000 0.00000 0.00000 172 2S -0.63058 -0.22673 -0.00009 0.00001 -0.00001 173 2PX 0.31094 0.17996 0.00005 -0.00003 0.00006 174 2PY 0.00002 -0.00004 0.05365 0.07031 -0.11000 175 2PZ -0.09720 0.10638 0.00005 -0.00002 -0.00003 176 3S 1.69447 0.75651 0.00025 -0.00009 0.00009 177 3PX -0.24910 -0.10108 -0.00004 0.00002 -0.00001 178 3PY -0.00001 0.00014 -0.19193 -0.09749 0.42786 179 3PZ 0.02696 -0.62182 -0.00024 0.00012 0.00000 180 4XX -0.03713 -0.07260 -0.00002 0.00001 -0.00002 181 4YY -0.04324 0.02752 0.00001 0.00000 0.00002 182 4ZZ 0.02589 0.02303 0.00000 -0.00001 0.00000 183 4XY 0.00000 -0.00002 0.02466 0.05422 -0.03406 184 4XZ 0.00283 -0.00554 0.00000 0.00001 0.00001 185 4YZ -0.00001 0.00000 0.00081 -0.03209 -0.04366 186 22 H 1S 0.30395 0.15593 0.00005 -0.00001 0.00004 187 2S -0.72411 0.04723 0.00003 -0.00005 -0.00003 188 23 H 1S 0.18765 -0.03783 -0.00002 0.00002 0.00003 189 2S -0.64869 -0.38014 -0.00014 0.00005 -0.00005 106 107 108 109 110 V V V V V Eigenvalues -- 1.01134 1.05343 1.07614 1.12040 1.12968 1 1 C 1S -0.01225 -0.01782 -0.00086 -0.01792 -0.01862 2 2S -0.25333 -0.46999 -0.26304 -0.57021 -0.57897 3 2PX 0.10733 0.18205 0.03414 -0.01037 -0.01569 4 2PY -0.17237 0.19602 -0.00232 0.03419 -0.08307 5 2PZ -0.16650 0.01387 0.00170 0.08440 0.13573 6 3S 0.94726 1.63504 1.27373 2.13199 1.08346 7 3PX -0.47141 -0.43213 0.22198 0.13304 0.18731 8 3PY 1.85619 -1.08577 -0.14326 -0.46766 0.22619 9 3PZ 1.14271 0.23048 -0.57192 -0.76947 -0.74519 10 4XX 0.01239 0.01705 -0.00579 0.01731 0.06976 11 4YY 0.01804 -0.01085 -0.00340 -0.08729 -0.09309 12 4ZZ -0.06835 -0.06249 0.00054 0.00415 -0.03701 13 4XY -0.00527 -0.08430 -0.00267 0.00966 0.08916 14 4XZ 0.02144 0.00014 0.01906 0.01592 -0.02446 15 4YZ 0.00004 0.00551 0.00297 0.06787 0.03644 16 2 C 1S -0.00566 -0.00336 0.01649 0.00762 0.00633 17 2S -0.48276 -0.25496 0.05858 0.61566 0.39170 18 2PX 0.10997 0.03875 0.11547 -0.14487 -0.00049 19 2PY 0.04365 0.00363 -0.04982 -0.02586 -0.04873 20 2PZ -0.08667 0.12298 0.12824 0.13269 0.02115 21 3S 1.94349 0.18198 -0.89625 -2.10045 -1.58605 22 3PX -0.27107 0.33431 0.10013 0.46168 -0.15634 23 3PY -0.15712 0.67647 -0.28444 -0.41975 -0.55358 24 3PZ 1.00245 -0.89503 -0.71239 -1.01375 -0.01961 25 4XX 0.01339 -0.09734 0.04947 0.03106 0.08623 26 4YY -0.08138 0.08022 -0.01174 0.03448 -0.00407 27 4ZZ 0.02777 -0.01447 -0.01839 -0.01994 -0.03879 28 4XY -0.02209 0.03287 -0.01681 -0.00430 0.06997 29 4XZ 0.02107 0.03608 0.00034 -0.03611 -0.01505 30 4YZ -0.00761 -0.04067 -0.00558 0.01063 0.01085 31 3 C 1S 0.00565 -0.00338 -0.01649 0.00761 0.00634 32 2S 0.48251 -0.25517 -0.05872 0.61447 0.39226 33 2PX -0.10999 0.03866 -0.11552 -0.14471 -0.00062 34 2PY 0.04351 -0.00368 -0.04984 0.02619 0.04860 35 2PZ 0.08662 0.12289 -0.12840 0.13254 0.02118 36 3S -1.94259 0.18333 0.89751 -2.09862 -1.58674 37 3PX 0.27115 0.33440 -0.10028 0.46042 -0.15590 38 3PY -0.15685 -0.67650 -0.28434 0.41959 0.55333 39 3PZ -1.00247 -0.89445 0.71329 -1.01330 -0.01948 40 4XX -0.01341 -0.09737 -0.04940 0.03117 0.08619 41 4YY 0.08138 0.08017 0.01165 0.03436 -0.00402 42 4ZZ -0.02779 -0.01443 0.01841 -0.02004 -0.03874 43 4XY -0.02210 -0.03292 -0.01678 0.00425 -0.06991 44 4XZ -0.02107 0.03607 -0.00035 -0.03598 -0.01513 45 4YZ -0.00758 0.04071 -0.00562 -0.01072 -0.01080 46 4 C 1S 0.01225 -0.01783 0.00089 -0.01790 -0.01862 47 2S 0.25341 -0.47001 0.26371 -0.56950 -0.57903 48 2PX -0.10723 0.18208 -0.03429 -0.01037 -0.01572 49 2PY -0.17245 -0.19592 -0.00216 -0.03415 0.08301 50 2PZ 0.16642 0.01380 -0.00175 0.08435 0.13578 51 3S -0.94749 1.63482 -1.27596 2.12905 1.08352 52 3PX 0.47088 -0.43273 -0.22170 0.13382 0.18689 53 3PY 1.85658 1.08484 -0.14442 0.46767 -0.22551 54 3PZ -1.14208 0.23155 0.57211 -0.77055 -0.74461 55 4XX -0.01238 0.01703 0.00577 0.01740 0.06975 56 4YY -0.01803 -0.01082 0.00345 -0.08725 -0.09311 57 4ZZ 0.06835 -0.06253 -0.00048 0.00412 -0.03701 58 4XY -0.00524 0.08431 -0.00271 -0.00971 -0.08909 59 4XZ -0.02144 0.00016 -0.01906 0.01582 -0.02443 60 4YZ 0.00003 -0.00551 0.00300 -0.06779 -0.03650 61 5 H 1S -0.04811 -0.31559 0.05815 0.01417 0.12028 62 2S -0.16502 -0.57630 -0.00063 -0.07611 0.11669 63 6 H 1S 0.04806 -0.31572 -0.05793 0.01500 0.11992 64 2S 0.16494 -0.57637 0.00110 -0.07545 0.11646 65 7 C 1S -0.01205 0.01974 -0.00241 -0.01327 0.01070 66 2S -0.49443 0.16893 -0.42432 0.10522 0.37514 67 2PX -0.01273 -0.02776 -0.16502 0.02637 0.09714 68 2PY 0.02541 0.15416 -0.10223 -0.06209 0.04465 69 2PZ 0.01020 0.22997 -0.07965 0.09267 0.07947 70 3S 0.69387 0.09734 2.26566 -0.04130 -0.17679 71 3PX 0.42202 -0.08953 -0.12838 -0.24064 -0.05669 72 3PY -0.10780 -0.35073 1.61276 0.25602 -0.35213 73 3PZ -0.65460 -0.37838 1.17980 0.03218 -0.13733 74 4XX -0.05502 0.03035 -0.06581 -0.09513 0.00090 75 4YY -0.01491 0.03873 0.01309 0.00411 0.05309 76 4ZZ -0.04771 -0.03890 0.05622 0.06810 -0.02831 77 4XY -0.00481 0.04591 -0.03780 0.06905 0.03429 78 4XZ 0.09751 0.00819 -0.02848 -0.02210 -0.02326 79 4YZ -0.02184 0.01034 0.03334 0.02461 -0.07044 80 8 C 1S 0.01205 0.01974 0.00239 -0.01326 0.01069 81 2S 0.49451 0.16901 0.42414 0.10442 0.37548 82 2PX 0.01276 -0.02766 0.16506 0.02604 0.09732 83 2PY 0.02544 -0.15426 -0.10211 0.06263 -0.04492 84 2PZ -0.01017 0.23002 0.07949 0.09298 0.07939 85 3S -0.69385 0.09626 -2.26562 -0.03754 -0.17814 86 3PX -0.42211 -0.08954 0.12826 -0.23943 -0.05745 87 3PY -0.10793 0.35199 1.61268 -0.25859 0.35336 88 3PZ 0.65464 -0.37930 -1.17903 0.02989 -0.13633 89 4XX 0.05505 0.03039 0.06582 -0.09497 0.00086 90 4YY 0.01491 0.03872 -0.01316 0.00414 0.05306 91 4ZZ 0.04770 -0.03895 -0.05616 0.06794 -0.02823 92 4XY -0.00481 -0.04595 -0.03775 -0.06906 -0.03430 93 4XZ -0.09752 0.00822 0.02847 -0.02209 -0.02327 94 4YZ -0.02184 -0.01030 0.03336 -0.02450 0.07042 95 9 H 1S 0.12913 0.35147 0.02040 -0.06629 -0.18973 96 2S 0.19403 -0.08077 -0.07446 0.23499 0.12641 97 10 H 1S -0.12902 0.35147 -0.02063 -0.06615 -0.18984 98 2S -0.19432 -0.08072 0.07437 0.23498 0.12623 99 11 C 1S 0.00787 0.00179 0.00037 0.00445 -0.00754 100 2S 0.10851 0.30130 -0.00420 0.02639 -0.13511 101 2PX 0.05105 0.13017 -0.00568 0.11809 0.08263 102 2PY -0.00843 0.01767 -0.04177 0.05591 0.02276 103 2PZ -0.03562 -0.17463 -0.06260 0.13852 0.18883 104 3S -0.60061 -1.23049 -0.09697 -0.30696 0.71118 105 3PX -0.08917 0.17912 -0.07244 -0.32523 -0.46262 106 3PY 0.06845 -0.11234 0.38066 -0.27669 0.07547 107 3PZ 0.25812 0.08644 0.09188 -0.17398 -0.23273 108 4XX -0.01777 0.03251 0.00946 0.00134 -0.04847 109 4YY 0.00183 0.04882 -0.00451 -0.00922 -0.02344 110 4ZZ 0.03097 -0.04388 -0.01449 0.01691 0.05306 111 4XY -0.00476 0.02495 0.00663 -0.01105 0.03048 112 4XZ -0.00641 -0.06070 -0.00501 0.01926 -0.02582 113 4YZ -0.01708 -0.09324 -0.00047 0.03595 0.06469 114 12 H 1S 0.11754 -0.15203 -0.03942 0.04298 -0.02159 115 2S 0.05268 0.45543 0.05969 -0.12376 -0.38518 116 13 H 1S -0.00974 -0.14386 0.03362 0.06445 0.01698 117 2S 0.17951 0.22763 -0.11818 0.28373 0.22248 118 14 C 1S -0.00787 0.00179 -0.00037 0.00451 -0.00758 119 2S -0.10843 0.30128 0.00418 0.02711 -0.13556 120 2PX -0.05114 0.13016 0.00559 0.11850 0.08244 121 2PY -0.00841 -0.01761 -0.04177 -0.05593 -0.02277 122 2PZ 0.03556 -0.17456 0.06265 0.13857 0.18886 123 3S 0.60030 -1.23030 0.09726 -0.30957 0.71297 124 3PX 0.08934 0.17924 0.07230 -0.32743 -0.46152 125 3PY 0.06859 0.11251 0.38072 0.27674 -0.07535 126 3PZ -0.25805 0.08648 -0.09185 -0.17443 -0.23271 127 4XX 0.01777 0.03249 -0.00948 0.00154 -0.04856 128 4YY -0.00183 0.04879 0.00451 -0.00919 -0.02344 129 4ZZ -0.03097 -0.04381 0.01452 0.01681 0.05308 130 4XY -0.00477 -0.02494 0.00663 0.01108 -0.03049 131 4XZ 0.00642 -0.06073 0.00507 0.01925 -0.02581 132 4YZ -0.01707 0.09325 -0.00055 -0.03595 -0.06471 133 15 H 1S -0.11749 -0.15188 0.03950 0.04288 -0.02157 134 2S -0.05256 0.45518 -0.05978 -0.12326 -0.38555 135 16 H 1S 0.00983 -0.14393 -0.03350 0.06507 0.01665 136 2S -0.17965 0.22770 0.11806 0.28485 0.22195 137 17 H 1S 0.13595 0.12872 -0.39394 0.13618 -0.11560 138 2S 0.41766 -0.44719 -0.30521 -0.03883 0.04135 139 18 H 1S -0.13598 0.12899 0.39392 0.13695 -0.11588 140 2S -0.41759 -0.44671 0.30558 -0.03874 0.04134 141 19 O 1S -0.01097 0.00403 -0.00323 0.00410 0.00961 142 2S 0.21414 0.13378 -0.26018 -0.02681 0.20287 143 2PX -0.08250 0.13835 0.24214 -0.17362 0.12455 144 2PY -0.31257 0.04465 0.12090 0.28147 -0.23607 145 2PZ 0.23528 0.04169 0.32208 -0.12898 -0.05312 146 3S -0.27864 -0.21643 0.26792 0.14094 -0.58557 147 3PX 0.35615 -0.13232 -0.57822 0.22599 -0.11845 148 3PY 0.54130 0.01218 -0.34042 -0.45832 0.36161 149 3PZ -0.39135 0.02065 -0.40819 0.32211 0.16087 150 4XX 0.10165 0.05197 -0.01146 0.00728 0.13812 151 4YY -0.00614 -0.00952 -0.06237 0.02038 -0.06402 152 4ZZ 0.09339 0.06526 -0.15924 -0.07780 0.11542 153 4XY -0.02735 -0.03284 0.01448 -0.04612 -0.01555 154 4XZ 0.03506 -0.03605 0.11677 -0.02188 -0.01774 155 4YZ 0.01413 -0.00339 -0.02749 -0.00965 0.00055 156 20 O 1S 0.01097 0.00403 0.00323 0.00409 0.00962 157 2S -0.21410 0.13387 0.26008 -0.02708 0.20307 158 2PX 0.08268 0.13816 -0.24217 -0.17337 0.12443 159 2PY -0.31248 -0.04451 0.12098 -0.28197 0.23635 160 2PZ -0.23533 0.04138 -0.32222 -0.12927 -0.05311 161 3S 0.27849 -0.21645 -0.26777 0.14243 -0.58647 162 3PX -0.35648 -0.13196 0.57813 0.22584 -0.11847 163 3PY 0.54115 -0.01255 -0.34044 0.45916 -0.36207 164 3PZ 0.39145 0.02109 0.40833 0.32256 0.16092 165 4XX -0.10164 0.05195 0.01141 0.00707 0.13821 166 4YY 0.00614 -0.00953 0.06240 0.02034 -0.06398 167 4ZZ -0.09335 0.06537 0.15917 -0.07783 0.11548 168 4XY -0.02736 0.03286 0.01448 0.04613 0.01556 169 4XZ -0.03507 -0.03610 -0.11675 -0.02202 -0.01771 170 4YZ 0.01415 0.00334 -0.02750 0.00970 -0.00061 171 21 C 1S 0.00000 -0.00528 0.00001 0.05233 -0.05100 172 2S -0.00007 -0.08699 0.00011 0.81779 -0.78607 173 2PX 0.00000 0.22095 -0.00009 0.16826 0.10881 174 2PY 0.16912 -0.00003 -0.12325 0.00013 -0.00006 175 2PZ -0.00002 -0.07486 -0.00001 0.07339 0.00848 176 3S 0.00008 0.40704 -0.00043 -1.40325 1.65038 177 3PX 0.00002 -0.15064 0.00005 -0.15874 -0.25126 178 3PY -0.56937 0.00009 0.52687 -0.00026 0.00010 179 3PZ 0.00009 0.12865 0.00013 -0.58010 -0.19229 180 4XX -0.00002 -0.08740 0.00004 0.02816 -0.20962 181 4YY -0.00002 0.02557 -0.00005 0.10916 -0.00385 182 4ZZ 0.00001 0.02368 0.00003 0.02920 0.03403 183 4XY 0.06237 0.00000 0.05635 0.00009 -0.00004 184 4XZ 0.00003 0.04281 -0.00001 -0.07602 0.09103 185 4YZ 0.02633 0.00008 0.19722 0.00009 0.00000 186 22 H 1S 0.00002 0.09881 -0.00003 0.20891 0.00239 187 2S -0.00013 -0.27750 0.00006 0.53717 -0.37956 188 23 H 1S 0.00003 0.14559 -0.00003 0.09505 -0.08850 189 2S 0.00000 -0.23279 0.00017 0.08109 -0.55415 111 112 113 114 115 V V V V V Eigenvalues -- 1.14031 1.14812 1.19960 1.20299 1.25152 1 1 C 1S 0.00070 0.01033 -0.00803 -0.01079 0.00993 2 2S 0.11850 0.38151 -0.00694 -0.34131 0.07674 3 2PX -0.04024 -0.06512 -0.01469 -0.12715 0.09262 4 2PY -0.04171 -0.05394 0.03208 -0.07577 0.02303 5 2PZ 0.00624 0.00936 -0.02417 0.15389 -0.07787 6 3S -0.76628 -1.15528 0.17749 -0.04157 -0.64541 7 3PX 0.52577 -0.06394 -0.13795 0.26890 -0.17568 8 3PY 0.21008 0.16281 -0.30531 -0.73471 0.15667 9 3PZ -0.72468 0.39656 0.20184 -0.98799 0.52252 10 4XX 0.04356 -0.01561 -0.00029 0.03703 -0.03394 11 4YY 0.00495 0.04664 0.01627 -0.01112 0.04272 12 4ZZ -0.02906 0.01731 -0.03825 -0.06218 0.01583 13 4XY 0.02937 -0.05034 -0.01030 -0.01457 0.14149 14 4XZ -0.05648 -0.00731 -0.07834 -0.00872 -0.02792 15 4YZ -0.04869 -0.05235 0.00932 -0.03762 0.00603 16 2 C 1S 0.00036 -0.03050 0.00085 0.01808 -0.02269 17 2S -0.48246 -0.55098 0.17878 0.14707 -0.44892 18 2PX 0.09352 -0.03410 -0.12403 -0.06277 0.09823 19 2PY -0.23621 -0.11115 -0.13172 -0.37710 0.02459 20 2PZ -0.07282 0.00462 -0.05147 -0.04311 0.00607 21 3S 0.30866 2.12343 -0.59400 -1.70573 0.84794 22 3PX -0.57803 0.31706 0.05964 0.53567 -0.73344 23 3PY 0.44774 0.55887 0.58141 1.78500 -0.18554 24 3PZ 0.24888 -0.07801 0.14815 0.07543 0.55811 25 4XX 0.05145 -0.02265 -0.10541 -0.06220 -0.02824 26 4YY -0.04495 -0.03275 0.08752 0.13550 -0.00651 27 4ZZ -0.04514 -0.00934 0.01606 -0.02803 -0.03850 28 4XY 0.04808 -0.02068 0.06519 0.00033 -0.01031 29 4XZ 0.07616 0.04123 0.01868 0.07249 -0.04157 30 4YZ 0.02988 0.00380 -0.00236 -0.06605 0.02951 31 3 C 1S -0.00035 -0.03050 0.00064 -0.01806 -0.02270 32 2S 0.48355 -0.55106 0.17720 -0.14867 -0.44889 33 2PX -0.09383 -0.03410 -0.12342 0.06427 0.09822 34 2PY -0.23624 0.11097 0.12739 -0.37856 -0.02482 35 2PZ 0.07300 0.00471 -0.05102 0.04357 0.00614 36 3S -0.31193 2.12417 -0.57451 1.71115 0.84916 37 3PX 0.57946 0.31707 0.05397 -0.53667 -0.73366 38 3PY 0.44841 -0.55777 -0.56124 1.79115 0.18617 39 3PZ -0.25136 -0.07839 0.14741 -0.07677 0.55773 40 4XX -0.05143 -0.02260 -0.10470 0.06342 -0.02823 41 4YY 0.04500 -0.03282 0.08600 -0.13644 -0.00656 42 4ZZ 0.04513 -0.00933 0.01639 0.02785 -0.03849 43 4XY 0.04815 0.02069 -0.06523 0.00115 0.01038 44 4XZ -0.07623 0.04122 0.01784 -0.07270 -0.04164 45 4YZ 0.02984 -0.00382 0.00165 -0.06610 -0.02956 46 4 C 1S -0.00073 0.01033 -0.00790 0.01087 0.00996 47 2S -0.11923 0.38144 -0.00302 0.34130 0.07731 48 2PX 0.04027 -0.06507 -0.01326 0.12729 0.09269 49 2PY -0.04185 0.05392 -0.03293 -0.07538 -0.02308 50 2PZ -0.00621 0.00929 -0.02591 -0.15360 -0.07797 51 3S 0.77032 -1.15418 0.17773 0.04000 -0.64684 52 3PX -0.52573 -0.06402 -0.14112 -0.26709 -0.17582 53 3PY 0.21115 -0.16361 0.29679 -0.73816 -0.15634 54 3PZ 0.72357 0.39692 0.21316 0.98526 0.52333 55 4XX -0.04357 -0.01564 -0.00071 -0.03703 -0.03395 56 4YY -0.00504 0.04664 0.01640 0.01094 0.04268 57 4ZZ 0.02907 0.01735 -0.03754 0.06259 0.01593 58 4XY 0.02941 0.05032 0.01015 -0.01468 -0.14150 59 4XZ 0.05657 -0.00730 -0.07824 0.00967 -0.02792 60 4YZ -0.04882 0.05233 -0.00974 -0.03754 -0.00605 61 5 H 1S 0.36989 -0.07057 -0.13071 0.06659 -0.01867 62 2S 0.32743 0.13690 -0.18505 0.21750 -0.26592 63 6 H 1S -0.36999 -0.07061 -0.13146 -0.06514 -0.01877 64 2S -0.32767 0.13676 -0.18747 -0.21531 -0.26610 65 7 C 1S 0.00515 0.01876 0.00863 -0.00228 0.01885 66 2S -0.36926 0.18802 0.42573 -0.15545 0.48295 67 2PX -0.17546 0.01021 0.16554 -0.06126 0.21604 68 2PY -0.20105 0.00335 0.02028 0.12778 -0.09727 69 2PZ 0.08629 0.00374 -0.07570 -0.13084 -0.01921 70 3S 1.25890 0.01762 -1.11826 -0.59938 -0.80906 71 3PX 0.78879 -0.43480 0.21793 0.25331 -0.69477 72 3PY 0.93715 -0.09698 -0.00418 -0.78089 0.39633 73 3PZ -1.11283 0.10292 -0.26290 0.28721 0.27163 74 4XX 0.04981 0.04592 0.02234 -0.01376 0.10474 75 4YY -0.00072 0.00143 0.08772 -0.00935 0.00857 76 4ZZ -0.06028 0.03074 -0.11433 -0.01026 -0.03672 77 4XY 0.00079 -0.06569 -0.11778 0.02299 0.03194 78 4XZ 0.03229 -0.00408 -0.05359 0.05201 0.01886 79 4YZ -0.05435 -0.11576 0.00901 0.02838 0.08208 80 8 C 1S -0.00520 0.01876 0.00866 0.00217 0.01884 81 2S 0.36907 0.18802 0.42771 0.15028 0.48283 82 2PX 0.17545 0.01018 0.16630 0.05927 0.21601 83 2PY -0.20083 -0.00328 -0.01882 0.12786 0.09731 84 2PZ -0.08617 0.00375 -0.07424 0.13172 -0.01917 85 3S -1.25845 0.01811 -1.11190 0.61231 -0.80834 86 3PX -0.78933 -0.43485 0.21454 -0.25512 -0.69477 87 3PY 0.93600 0.09616 -0.00418 -0.78052 -0.39727 88 3PZ 1.11336 0.10304 -0.26546 -0.28469 0.27133 89 4XX -0.05003 0.04591 0.02251 0.01347 0.10471 90 4YY 0.00068 0.00139 0.08782 0.00837 0.00861 91 4ZZ 0.06046 0.03082 -0.11419 0.01152 -0.03676 92 4XY 0.00067 0.06572 0.11803 0.02170 -0.03191 93 4XZ -0.03233 -0.00408 -0.05420 -0.05137 0.01886 94 4YZ -0.05452 0.11575 -0.00866 0.02854 -0.08204 95 9 H 1S -0.02309 -0.10262 0.11184 -0.54305 -0.11355 96 2S -0.16250 0.03417 0.27389 -0.85402 -0.30939 97 10 H 1S 0.02306 -0.10233 0.11796 0.54192 -0.11322 98 2S 0.16297 0.03456 0.28358 0.85118 -0.30896 99 11 C 1S 0.03033 0.02182 -0.02580 -0.01268 -0.04970 100 2S 0.35289 0.37168 -0.41406 -0.14704 -1.01086 101 2PX 0.15328 0.12458 0.10000 -0.16920 0.18909 102 2PY -0.00292 0.04700 0.01513 -0.05202 0.10148 103 2PZ 0.02862 -0.01083 -0.02771 0.01995 -0.03555 104 3S -1.22197 -1.52671 0.96359 1.45914 2.07883 105 3PX -0.84559 0.03201 -0.07438 0.71420 -0.42244 106 3PY -0.28669 -0.37134 0.31477 -1.11153 0.20670 107 3PZ -0.19187 -0.30392 -0.09301 0.40922 0.15236 108 4XX 0.08624 0.00653 0.00534 -0.07628 -0.05031 109 4YY 0.01135 0.03133 -0.03831 0.01751 -0.08256 110 4ZZ -0.04031 0.02229 -0.03333 0.04604 -0.02755 111 4XY -0.01952 0.07478 0.03719 -0.05614 -0.01036 112 4XZ -0.00156 0.01787 -0.08422 -0.00351 0.03987 113 4YZ 0.01205 -0.01885 -0.10109 0.04697 0.05645 114 12 H 1S 0.00748 0.05980 -0.11746 0.16998 -0.16686 115 2S 0.29449 0.16116 -0.32571 0.09217 -0.35612 116 13 H 1S 0.29805 0.06891 -0.17912 -0.11355 -0.17681 117 2S 0.48408 0.29192 -0.07042 -0.24697 -0.14681 118 14 C 1S -0.03029 0.02183 -0.02567 0.01299 -0.04970 119 2S -0.35238 0.37179 -0.41255 0.15198 -1.01088 120 2PX -0.15317 0.12466 0.10186 0.16788 0.18923 121 2PY -0.00305 -0.04697 -0.01570 -0.05170 -0.10145 122 2PZ -0.02853 -0.01091 -0.02798 -0.01969 -0.03554 123 3S 1.21968 -1.52759 0.94768 -1.47006 2.07850 124 3PX 0.84546 0.03166 -0.08193 -0.71268 -0.42301 125 3PY -0.28555 0.37062 -0.32716 -1.10824 -0.20766 126 3PZ 0.19172 -0.30380 -0.09736 -0.40818 0.15193 127 4XX -0.08620 0.00659 0.00618 0.07625 -0.05026 128 4YY -0.01134 0.03128 -0.03856 -0.01709 -0.08256 129 4ZZ 0.04035 0.02229 -0.03380 -0.04564 -0.02761 130 4XY -0.01952 -0.07482 -0.03779 -0.05565 0.01032 131 4XZ 0.00164 0.01785 -0.08421 0.00442 0.03987 132 4YZ 0.01198 0.01888 0.10158 0.04583 -0.05641 133 15 H 1S -0.00725 0.05972 -0.11937 -0.16859 -0.16706 134 2S -0.29412 0.16125 -0.32666 -0.08834 -0.35630 135 16 H 1S -0.29776 0.06893 -0.17799 0.11559 -0.17676 136 2S -0.48362 0.29198 -0.06779 0.24754 -0.14669 137 17 H 1S 0.34233 0.03373 -0.18023 -0.03772 0.08918 138 2S 0.10146 0.12947 0.29983 0.13418 0.52854 139 18 H 1S -0.34189 0.03363 -0.17987 0.03967 0.08916 140 2S -0.10173 0.12929 0.29801 -0.13789 0.52846 141 19 O 1S -0.00893 0.01452 -0.01743 -0.00145 -0.00470 142 2S -0.11359 0.20109 -0.30361 -0.05834 0.07031 143 2PX 0.03283 -0.04153 -0.34004 -0.15293 0.16414 144 2PY 0.19488 -0.02520 -0.05014 -0.05739 0.05318 145 2PZ -0.02552 -0.47685 -0.02074 0.03043 -0.05150 146 3S 0.70705 -0.59209 0.72189 -0.03342 0.08748 147 3PX 0.18277 -0.04962 0.88298 0.26886 -0.39545 148 3PY -0.34297 -0.01278 0.08007 0.17301 -0.05101 149 3PZ -0.03582 0.90237 -0.09712 -0.13680 0.15835 150 4XX -0.07126 0.10894 -0.14015 -0.02700 -0.05578 151 4YY -0.02399 0.02560 -0.03907 -0.02696 0.05015 152 4ZZ -0.02300 0.04194 -0.07887 0.01918 0.02733 153 4XY -0.01227 -0.05389 0.00785 -0.02306 0.00481 154 4XZ -0.04924 -0.00478 0.04116 0.03516 -0.03438 155 4YZ -0.01639 -0.09887 -0.05296 0.03920 -0.03913 156 20 O 1S 0.00893 0.01452 -0.01740 0.00164 -0.00470 157 2S 0.11339 0.20095 -0.30288 0.06174 0.07032 158 2PX -0.03327 -0.04143 -0.33821 0.15683 0.16405 159 2PY 0.19399 0.02523 0.04951 -0.05771 -0.05318 160 2PZ 0.02537 -0.47677 -0.02119 -0.02992 -0.05145 161 3S -0.70635 -0.59169 0.72189 0.02521 0.08743 162 3PX -0.18232 -0.04977 0.87948 -0.27875 -0.39515 163 3PY -0.34151 0.01276 -0.07813 0.17347 0.05111 164 3PZ 0.03628 0.90224 -0.09528 0.13726 0.15821 165 4XX 0.07114 0.10892 -0.13983 0.02864 -0.05573 166 4YY 0.02416 0.02553 -0.03876 0.02729 0.05013 167 4ZZ 0.02271 0.04189 -0.07904 -0.01823 0.02731 168 4XY -0.01221 0.05387 -0.00815 -0.02299 -0.00477 169 4XZ 0.04919 -0.00474 0.04074 -0.03560 -0.03434 170 4YZ -0.01637 0.09889 0.05339 0.03853 0.03918 171 21 C 1S 0.00009 0.00536 -0.03742 0.00018 0.03728 172 2S 0.00137 0.08041 -0.59452 0.00288 0.59558 173 2PX 0.00015 0.04553 -0.08262 0.00043 -0.02465 174 2PY -0.08545 0.00005 0.00026 0.05381 0.00004 175 2PZ 0.00006 -0.04806 0.14553 -0.00081 -0.07811 176 3S -0.00250 -0.28317 1.68982 -0.00848 -1.71781 177 3PX -0.00005 -0.17369 -0.16481 0.00101 -0.00860 178 3PY 0.01211 -0.00009 -0.00173 -0.28566 0.00010 179 3PZ -0.00051 -0.44335 -0.52679 0.00313 0.40260 180 4XX 0.00016 -0.12861 0.07270 -0.00045 0.05276 181 4YY 0.00012 0.02216 -0.06309 0.00035 -0.03785 182 4ZZ 0.00001 0.09973 -0.04312 0.00021 0.04173 183 4XY -0.06629 -0.00001 -0.00007 -0.01340 0.00000 184 4XZ -0.00014 -0.03807 -0.13919 0.00085 -0.00374 185 4YZ -0.02378 -0.00005 0.00001 -0.00207 -0.00007 186 22 H 1S 0.00025 0.20203 -0.14657 0.00070 0.08958 187 2S 0.00078 -0.00270 -0.04589 0.00003 0.07190 188 23 H 1S 0.00019 -0.07473 -0.30369 0.00165 0.18732 189 2S 0.00037 0.00419 -0.38846 0.00204 0.39040 116 117 118 119 120 V V V V V Eigenvalues -- 1.28995 1.31430 1.32933 1.39991 1.41504 1 1 C 1S 0.03117 0.02924 0.00906 -0.00351 -0.04953 2 2S 0.67346 0.56152 0.32281 0.03859 -0.90295 3 2PX -0.18856 -0.05165 -0.03612 0.05443 -0.12235 4 2PY 0.03638 -0.05316 0.07036 0.06913 0.02593 5 2PZ 0.04528 -0.00423 -0.09306 0.00733 0.07053 6 3S -1.59925 -2.60041 -0.33435 0.50433 5.14136 7 3PX 1.06413 0.21094 -0.00278 -0.16974 1.04355 8 3PY 0.11359 0.12622 -0.20109 -0.53883 2.77091 9 3PZ -1.10841 0.28739 0.31239 0.09312 -2.23163 10 4XX -0.05965 0.00898 -0.14617 -0.06655 0.11369 11 4YY 0.01026 0.01266 0.05376 -0.02260 0.01067 12 4ZZ 0.11229 0.03856 0.07476 0.10909 -0.15328 13 4XY -0.00793 -0.00975 -0.00624 0.10960 0.02345 14 4XZ -0.04926 -0.01280 0.05169 0.19418 -0.16019 15 4YZ -0.04929 -0.04452 0.02243 0.00901 0.02006 16 2 C 1S -0.00268 0.00523 0.01338 0.00486 -0.00689 17 2S -0.03664 -0.26586 0.15239 0.06332 0.12580 18 2PX -0.00637 0.11118 -0.03431 -0.01704 -0.01385 19 2PY 0.04654 -0.05501 0.02071 -0.03418 0.07722 20 2PZ -0.03069 -0.07826 -0.00740 0.02832 -0.19211 21 3S -0.03364 0.98372 -0.49641 -0.11444 -2.03325 22 3PX -0.15719 -0.18322 -0.03418 0.40246 -0.52254 23 3PY -0.85808 0.42881 0.16353 0.50426 -1.92278 24 3PZ 0.02064 0.94137 0.21969 -0.51264 0.42013 25 4XX -0.02102 -0.00190 -0.06966 0.17012 -0.03991 26 4YY -0.03074 0.01257 0.03477 0.01999 -0.10286 27 4ZZ 0.03157 0.01543 0.02080 -0.18126 0.09062 28 4XY -0.07053 -0.04553 -0.09536 -0.10137 0.21600 29 4XZ -0.01313 0.04322 -0.06414 -0.11997 0.06577 30 4YZ 0.02543 -0.02119 0.02056 0.05698 -0.04074 31 3 C 1S 0.00269 -0.00523 0.01337 0.00485 0.00687 32 2S 0.03667 0.26615 0.15232 0.06322 -0.12612 33 2PX 0.00637 -0.11130 -0.03433 -0.01705 0.01389 34 2PY 0.04647 -0.05504 -0.02072 0.03418 0.07723 35 2PZ 0.03064 0.07826 -0.00740 0.02817 0.19221 36 3S 0.03336 -0.98444 -0.49592 -0.11569 2.03444 37 3PX 0.15684 0.18332 -0.03383 0.40198 0.52330 38 3PY -0.85797 0.42908 -0.16346 -0.50291 -1.92293 39 3PZ -0.01990 -0.94165 0.21954 -0.51199 -0.42108 40 4XX 0.02095 0.00186 -0.06978 0.17002 0.03997 41 4YY 0.03072 -0.01253 0.03483 0.01997 0.10296 42 4ZZ -0.03150 -0.01544 0.02081 -0.18119 -0.09078 43 4XY -0.07048 -0.04548 0.09549 0.10122 0.21612 44 4XZ 0.01306 -0.04327 -0.06415 -0.11984 -0.06577 45 4YZ 0.02545 -0.02118 -0.02057 -0.05692 -0.04072 46 4 C 1S -0.03116 -0.02925 0.00910 -0.00355 0.04953 47 2S -0.67314 -0.56172 0.32353 0.03780 0.90290 48 2PX 0.18852 0.05165 -0.03627 0.05435 0.12236 49 2PY 0.03639 -0.05317 -0.07035 -0.06910 0.02599 50 2PZ -0.04538 0.00428 -0.09301 0.00737 -0.07038 51 3S 1.59828 2.60115 -0.33675 0.50827 -5.14134 52 3PX -1.06412 -0.21093 -0.00208 -0.16916 -1.04412 53 3PY 0.11293 0.12645 0.20150 0.53626 2.77027 54 3PZ 1.10886 -0.28768 0.31172 0.09175 2.23216 55 4XX 0.05952 -0.00898 -0.14624 -0.06637 -0.11374 56 4YY -0.01018 -0.01268 0.05377 -0.02262 -0.01073 57 4ZZ -0.11226 -0.03856 0.07487 0.10891 0.15342 58 4XY -0.00797 -0.00972 0.00622 -0.10967 0.02339 59 4XZ 0.04927 0.01283 0.05169 0.19400 0.16040 60 4YZ -0.04927 -0.04452 -0.02237 -0.00902 0.02016 61 5 H 1S 0.44718 0.19617 -0.05036 -0.14901 0.38541 62 2S 0.73880 0.30885 -0.06965 -0.15516 0.72780 63 6 H 1S -0.44715 -0.19620 -0.05005 -0.14872 -0.38549 64 2S -0.73883 -0.30882 -0.06905 -0.15463 -0.72769 65 7 C 1S -0.02563 0.00955 -0.00969 -0.00083 0.01112 66 2S -0.35266 -0.21779 -0.22760 -0.05543 0.43057 67 2PX 0.03964 -0.04214 -0.06777 -0.08539 0.15576 68 2PY 0.01678 -0.00710 0.03188 0.04340 -0.06696 69 2PZ -0.11203 -0.13185 -0.11001 0.07884 0.05174 70 3S 1.89781 0.80718 0.30243 0.12177 -1.17177 71 3PX -0.59151 -0.81592 -0.07463 0.22862 -0.18333 72 3PY 1.30764 -0.56334 -0.00478 -0.15200 -0.37598 73 3PZ 0.67901 1.35684 0.26560 -0.21982 -0.28012 74 4XX -0.12565 0.07889 -0.15444 0.20375 -0.06901 75 4YY 0.01033 -0.00528 0.00757 0.02280 -0.01297 76 4ZZ 0.09129 -0.00613 0.08741 -0.24574 0.08011 77 4XY -0.02482 0.01111 0.24781 0.05574 0.02238 78 4XZ 0.04612 -0.02117 0.11900 0.01126 -0.06152 79 4YZ -0.00476 0.00070 0.02423 0.07459 0.00720 80 8 C 1S 0.02562 -0.00955 -0.00971 -0.00081 -0.01111 81 2S 0.35255 0.21792 -0.22790 -0.05493 -0.43047 82 2PX -0.03968 0.04215 -0.06770 -0.08526 -0.15588 83 2PY 0.01674 -0.00711 -0.03191 -0.04335 -0.06703 84 2PZ 0.11194 0.13193 -0.11014 0.07886 -0.05162 85 3S -1.89757 -0.80753 0.30397 0.12007 1.17113 86 3PX 0.59134 0.81603 -0.07544 0.22843 0.18390 87 3PY 1.30780 -0.56318 0.00392 0.15276 -0.37604 88 3PZ -0.67836 -1.35714 0.26665 -0.21998 0.27940 89 4XX 0.12555 -0.07894 -0.15455 0.20370 0.06919 90 4YY -0.01034 0.00532 0.00760 0.02282 0.01304 91 4ZZ -0.09121 0.00610 0.08747 -0.24570 -0.08040 92 4XY -0.02501 0.01105 -0.24784 -0.05578 0.02236 93 4XZ -0.04602 0.02115 0.11898 0.01120 0.06153 94 4YZ -0.00477 0.00069 -0.02428 -0.07454 0.00714 95 9 H 1S 0.23827 -0.03838 0.16164 0.15242 0.25630 96 2S 0.29047 0.01351 0.04418 0.21523 0.48498 97 10 H 1S -0.23819 0.03843 0.16174 0.15256 -0.25633 98 2S -0.29061 -0.01342 0.04430 0.21554 -0.48496 99 11 C 1S -0.00228 -0.01044 -0.02367 0.01801 0.01167 100 2S -0.15655 -0.22406 -0.47487 0.19936 0.13397 101 2PX -0.01318 -0.05943 0.04668 -0.11344 -0.05498 102 2PY -0.01822 0.01179 0.04043 -0.04612 -0.00475 103 2PZ -0.13750 -0.03581 -0.06029 -0.09408 -0.16674 104 3S -0.07594 0.78843 0.98314 -0.79943 -1.66575 105 3PX 0.33901 0.60531 -0.12104 0.40247 1.03525 106 3PY 0.33774 -0.56047 0.15463 -0.11253 0.09464 107 3PZ 0.32123 0.25698 0.20525 0.07657 0.34447 108 4XX -0.05248 -0.05321 0.02888 -0.14504 -0.08981 109 4YY -0.01899 -0.00320 -0.02690 0.03311 0.00991 110 4ZZ 0.04471 0.04360 -0.05757 0.12906 0.07456 111 4XY 0.03367 -0.02312 -0.08176 0.06333 0.02820 112 4XZ -0.02044 -0.01883 0.06610 0.05452 0.08541 113 4YZ -0.01574 -0.00528 0.02221 0.16981 0.04782 114 12 H 1S 0.02908 0.07104 -0.08841 0.10188 0.19942 115 2S 0.03000 -0.04832 -0.03602 0.18938 0.32920 116 13 H 1S -0.08404 -0.14725 -0.10321 0.09532 -0.10433 117 2S -0.22141 -0.20810 -0.16644 -0.15179 -0.24704 118 14 C 1S 0.00224 0.01045 -0.02369 0.01804 -0.01162 119 2S 0.15576 0.22414 -0.47526 0.19975 -0.13330 120 2PX 0.01326 0.05943 0.04660 -0.11353 0.05480 121 2PY -0.01829 0.01181 -0.04038 0.04611 -0.00468 122 2PZ 0.13746 0.03584 -0.06042 -0.09420 0.16671 123 3S 0.07805 -0.78864 0.98446 -0.80158 1.66395 124 3PX -0.33942 -0.60514 -0.12053 0.40338 -1.03462 125 3PY 0.33731 -0.56055 -0.15486 0.11268 0.09468 126 3PZ -0.32091 -0.25715 0.20582 0.07693 -0.34462 127 4XX 0.05249 0.05325 0.02874 -0.14509 0.08974 128 4YY 0.01895 0.00321 -0.02688 0.03316 -0.00985 129 4ZZ -0.04479 -0.04364 -0.05750 0.12909 -0.07447 130 4XY 0.03379 -0.02307 0.08173 -0.06339 0.02820 131 4XZ 0.02051 0.01883 0.06608 0.05461 -0.08537 132 4YZ -0.01575 -0.00525 -0.02217 -0.16988 0.04776 133 15 H 1S -0.02927 -0.07103 -0.08841 0.10215 -0.19925 134 2S -0.03022 0.04830 -0.03608 0.18978 -0.32895 135 16 H 1S 0.08386 0.14727 -0.10340 0.09531 0.10451 136 2S 0.22118 0.20812 -0.16684 -0.15191 0.24697 137 17 H 1S -0.19108 -0.11324 0.10679 -0.01369 0.02717 138 2S -0.28850 -0.20200 0.01925 -0.17485 0.02171 139 18 H 1S 0.19117 0.11326 0.10655 -0.01369 -0.02710 140 2S 0.28865 0.20201 0.01897 -0.17485 -0.02199 141 19 O 1S 0.01587 -0.00316 0.02311 0.00413 -0.00570 142 2S 0.08209 -0.05082 0.16104 0.02998 -0.03195 143 2PX -0.29780 0.40057 -0.13381 -0.09180 0.05699 144 2PY 0.01120 -0.20424 -0.03468 -0.00216 -0.00029 145 2PZ -0.07449 -0.22285 -0.06891 -0.01146 -0.00969 146 3S -0.80802 -0.25249 -0.83249 -0.12501 0.28169 147 3PX 0.54105 -1.41938 0.30847 0.27722 -0.10486 148 3PY -0.26456 0.56960 -0.09557 -0.04484 0.07853 149 3PZ 0.05201 0.70378 0.10788 0.09012 0.02527 150 4XX 0.09923 -0.02074 0.20352 -0.15975 0.04809 151 4YY 0.03544 -0.10550 -0.14811 0.01985 -0.02454 152 4ZZ -0.03098 0.08106 0.14086 0.16716 -0.06195 153 4XY -0.07215 0.05398 -0.10625 -0.07792 0.06242 154 4XZ 0.09989 0.01070 0.03844 -0.05979 -0.01877 155 4YZ -0.03432 0.00582 0.09220 -0.11414 0.03438 156 20 O 1S -0.01585 0.00316 0.02313 0.00412 0.00570 157 2S -0.08188 0.05080 0.16108 0.02990 0.03192 158 2PX 0.29776 -0.40073 -0.13406 -0.09169 -0.05723 159 2PY 0.01122 -0.20438 0.03472 0.00217 -0.00034 160 2PZ 0.07440 0.22282 -0.06900 -0.01149 0.00977 161 3S 0.80720 0.25253 -0.83329 -0.12453 -0.28169 162 3PX -0.54095 1.41979 0.30874 0.27695 0.10579 163 3PY -0.26451 0.56998 0.09568 0.04466 0.07882 164 3PZ -0.05187 -0.70366 0.10808 0.09021 -0.02554 165 4XX -0.09903 0.02073 0.20357 -0.15972 -0.04830 166 4YY -0.03553 0.10549 -0.14805 0.01976 0.02453 167 4ZZ 0.03108 -0.08104 0.14083 0.16713 0.06215 168 4XY -0.07205 0.05403 0.10633 0.07784 0.06251 169 4XZ -0.09989 -0.01070 0.03854 -0.05982 0.01872 170 4YZ -0.03439 0.00587 -0.09228 0.11406 0.03449 171 21 C 1S 0.00000 -0.00001 -0.02262 -0.01888 -0.00003 172 2S -0.00007 -0.00016 -0.45086 -0.20954 -0.00041 173 2PX 0.00008 0.00004 0.11656 0.01173 0.00001 174 2PY -0.06318 0.20282 0.00001 -0.00003 0.01396 175 2PZ 0.00001 0.00004 0.00358 0.00148 0.00000 176 3S 0.00037 0.00050 1.47752 0.84512 0.00150 177 3PX -0.00012 -0.00007 -0.16312 0.00636 0.00015 178 3PY -0.55412 1.21998 0.00017 -0.00017 0.18473 179 3PZ -0.00025 0.00001 -0.36983 -0.17753 -0.00010 180 4XX -0.00011 -0.00002 -0.23565 0.00786 0.00001 181 4YY 0.00004 0.00005 0.17135 -0.04018 0.00000 182 4ZZ 0.00005 -0.00003 0.03105 0.03381 -0.00001 183 4XY -0.03122 0.13711 -0.00001 -0.00002 0.02980 184 4XZ 0.00004 0.00000 0.13747 -0.10837 -0.00006 185 4YZ 0.13797 -0.15981 0.00000 0.00000 -0.02517 186 22 H 1S 0.00003 -0.00003 -0.00081 -0.07502 -0.00014 187 2S -0.00001 -0.00004 -0.13070 -0.10660 -0.00018 188 23 H 1S -0.00002 -0.00006 -0.15792 -0.12188 -0.00016 189 2S -0.00019 -0.00013 -0.42774 -0.09769 -0.00015 121 122 123 124 125 V V V V V Eigenvalues -- 1.44139 1.46297 1.48672 1.53313 1.56391 1 1 C 1S -0.00269 0.00163 0.00073 0.00376 0.00230 2 2S -0.00584 -0.17441 0.16641 -0.13226 -0.11620 3 2PX 0.07806 -0.07060 -0.03919 0.04430 0.05905 4 2PY 0.04394 -0.08797 0.00473 -0.07034 -0.02251 5 2PZ 0.03106 0.13653 -0.06155 0.19847 0.01866 6 3S 0.38448 -0.40568 -0.87257 -0.51873 -0.51583 7 3PX -0.17683 0.07223 -0.38889 0.20572 -0.36348 8 3PY -0.41676 0.51489 -0.28436 0.59034 -0.27643 9 3PZ 0.14990 -0.20445 0.87004 -0.26953 0.38749 10 4XX -0.14192 -0.03459 0.01588 -0.09001 0.08206 11 4YY 0.01133 0.00717 0.00376 -0.06490 0.00012 12 4ZZ 0.14460 0.02640 -0.04316 0.18471 -0.05816 13 4XY 0.04859 0.24111 -0.02010 -0.40936 -0.02196 14 4XZ 0.18511 0.06338 -0.10529 0.04763 0.03174 15 4YZ -0.05615 0.00898 0.02372 -0.26786 -0.01025 16 2 C 1S -0.01080 -0.04230 -0.00030 -0.01460 -0.02192 17 2S -0.09072 -0.48609 0.14056 -0.06221 -0.41644 18 2PX 0.03347 0.06897 -0.13448 0.03962 0.07304 19 2PY -0.08528 0.04516 -0.02384 0.03540 -0.06150 20 2PZ 0.06339 0.06745 -0.02459 0.01703 0.04954 21 3S 0.16405 1.73972 0.22154 0.14528 1.51110 22 3PX 0.13904 0.09181 0.04212 -0.67296 0.29101 23 3PY 0.35104 -0.33621 0.46153 -0.53949 0.83570 24 3PZ -0.42313 -0.09769 0.35587 0.51685 -0.25084 25 4XX 0.04856 -0.13946 -0.10995 -0.02555 0.00822 26 4YY 0.08145 0.01966 0.02669 -0.00023 0.01448 27 4ZZ -0.14010 0.07052 0.06690 0.01350 0.00642 28 4XY -0.13855 -0.18348 0.12805 -0.03941 -0.08369 29 4XZ -0.10014 -0.10619 0.06119 0.05447 0.08725 30 4YZ 0.01122 -0.16331 0.02026 0.03374 -0.07278 31 3 C 1S -0.01080 -0.04231 0.00029 -0.01460 0.02192 32 2S -0.09075 -0.48600 -0.14081 -0.06208 0.41651 33 2PX 0.03343 0.06886 0.13454 0.03968 -0.07307 34 2PY 0.08534 -0.04517 -0.02384 -0.03549 -0.06147 35 2PZ 0.06340 0.06734 0.02461 0.01694 -0.04956 36 3S 0.16426 1.73940 -0.22075 0.14416 -1.51120 37 3PX 0.13918 0.09165 -0.04191 -0.67329 -0.29102 38 3PY -0.35146 0.33659 0.46161 0.54043 0.83535 39 3PZ -0.42313 -0.09736 -0.35598 0.51686 0.25101 40 4XX 0.04848 -0.13963 0.10982 -0.02553 -0.00818 41 4YY 0.08153 0.01965 -0.02664 -0.00025 -0.01449 42 4ZZ -0.14009 0.07066 -0.06684 0.01349 -0.00645 43 4XY 0.13855 0.18331 0.12821 0.03937 -0.08369 44 4XZ -0.10008 -0.10611 -0.06128 0.05444 -0.08725 45 4YZ -0.01118 0.16328 0.02041 -0.03370 -0.07282 46 4 C 1S -0.00269 0.00161 -0.00073 0.00374 -0.00230 47 2S -0.00581 -0.17455 -0.16647 -0.13261 0.11623 48 2PX 0.07806 -0.07071 0.03914 0.04427 -0.05907 49 2PY -0.04392 0.08791 0.00475 0.07028 -0.02253 50 2PZ 0.03105 0.13653 0.06153 0.19854 -0.01867 51 3S 0.38390 -0.40471 0.87258 -0.51633 0.51582 52 3PX -0.17708 0.07252 0.38886 0.20649 0.36351 53 3PY 0.41699 -0.51550 -0.28416 -0.59134 -0.27619 54 3PZ 0.15025 -0.20484 -0.87010 -0.27103 -0.38753 55 4XX -0.14188 -0.03444 -0.01583 -0.09013 -0.08200 56 4YY 0.01129 0.00710 -0.00373 -0.06486 -0.00015 57 4ZZ 0.14459 0.02631 0.04307 0.18479 0.05814 58 4XY -0.04865 -0.24113 -0.02051 0.40932 -0.02200 59 4XZ 0.18507 0.06319 0.10530 0.04767 -0.03177 60 4YZ 0.05616 -0.00899 0.02359 0.26779 -0.01031 61 5 H 1S -0.17119 0.07838 -0.16831 0.07793 -0.04464 62 2S -0.16448 0.23275 -0.28832 0.28713 -0.17352 63 6 H 1S -0.17125 0.07842 0.16832 0.07815 0.04463 64 2S -0.16457 0.23287 0.28832 0.28759 0.17351 65 7 C 1S 0.00938 0.01922 0.00279 0.01315 0.01255 66 2S 0.16066 0.27575 0.12773 0.33372 -0.03114 67 2PX 0.10334 0.06925 0.01684 0.10648 -0.04723 68 2PY 0.01875 0.00383 -0.04230 -0.03988 0.00244 69 2PZ 0.07024 0.06904 0.05209 0.06972 0.04359 70 3S -0.41389 -0.81446 -1.20803 -0.77906 0.89516 71 3PX -0.04846 0.02187 0.33456 -0.07994 -1.05662 72 3PY 0.07494 0.27887 -0.99059 0.31455 -0.25611 73 3PZ -0.12781 -0.24031 -0.70366 -0.15205 0.30026 74 4XX -0.18104 0.01180 0.06933 0.01375 -0.00233 75 4YY 0.04361 0.05876 -0.01656 0.05108 -0.00539 76 4ZZ 0.12281 -0.08190 -0.08165 -0.09646 0.08966 77 4XY -0.25746 -0.01944 -0.04607 -0.00810 -0.00889 78 4XZ -0.09089 0.02207 -0.01313 -0.01931 -0.01462 79 4YZ -0.20777 0.03232 -0.03896 0.04750 -0.03627 80 8 C 1S 0.00939 0.01923 -0.00279 0.01315 -0.01256 81 2S 0.16072 0.27599 -0.12779 0.33369 0.03115 82 2PX 0.10332 0.06930 -0.01686 0.10648 0.04721 83 2PY -0.01880 -0.00381 -0.04235 0.03986 0.00246 84 2PZ 0.07022 0.06906 -0.05209 0.06969 -0.04362 85 3S -0.41448 -0.81587 1.20830 -0.77866 -0.89504 86 3PX -0.04823 0.02200 -0.33455 -0.07990 1.05673 87 3PY -0.07475 -0.27786 -0.99053 -0.31479 -0.25595 88 3PZ -0.12790 -0.24087 0.70332 -0.15205 -0.30029 89 4XX -0.18101 0.01180 -0.06923 0.01363 0.00229 90 4YY 0.04351 0.05876 0.01658 0.05110 0.00540 91 4ZZ 0.12288 -0.08192 0.08156 -0.09636 -0.08965 92 4XY 0.25748 0.01945 -0.04601 0.00807 -0.00898 93 4XZ -0.09082 0.02205 0.01316 -0.01932 0.01455 94 4YZ 0.20773 -0.03226 -0.03896 -0.04744 -0.03629 95 9 H 1S -0.02401 -0.24034 -0.04469 -0.18990 -0.06557 96 2S 0.15828 -0.32294 -0.17365 -0.22288 -0.12606 97 10 H 1S -0.02409 -0.24026 0.04465 -0.18975 0.06563 98 2S 0.15807 -0.32287 0.17356 -0.22256 0.12619 99 11 C 1S 0.00350 0.03313 0.01578 -0.01335 -0.03624 100 2S -0.11487 0.38839 0.20424 -0.17958 -0.45636 101 2PX 0.07357 0.02904 0.01032 -0.04530 -0.07830 102 2PY 0.04555 -0.03213 0.00597 0.05141 -0.04420 103 2PZ -0.07002 0.03217 0.05651 0.09622 -0.00785 104 3S -0.30112 -1.21788 -0.52105 0.88495 2.30613 105 3PX 0.07044 0.05364 -0.12677 -0.23126 0.02743 106 3PY -0.16016 -0.32883 -0.15356 0.14684 -0.25788 107 3PZ 0.04690 -0.26531 -0.23777 0.04797 0.35565 108 4XX -0.05396 0.20161 0.01909 -0.00382 -0.06815 109 4YY 0.00680 0.03585 0.01410 0.05400 0.00584 110 4ZZ 0.05480 -0.19897 -0.00886 -0.05599 0.03928 111 4XY 0.08465 -0.17023 -0.01878 -0.15780 -0.02864 112 4XZ 0.03515 -0.03495 0.02765 0.13536 -0.05159 113 4YZ 0.06336 -0.19535 0.03704 0.05822 0.03338 114 12 H 1S 0.02548 0.12216 0.02471 -0.05449 -0.07921 115 2S 0.06264 0.09191 -0.00500 -0.14052 -0.19868 116 13 H 1S -0.02726 0.16912 0.10078 -0.00136 -0.13357 117 2S 0.02029 0.16214 0.18079 -0.01081 -0.27940 118 14 C 1S 0.00350 0.03314 -0.01576 -0.01337 0.03624 119 2S -0.11487 0.38846 -0.20400 -0.17978 0.45646 120 2PX 0.07356 0.02902 -0.01028 -0.04528 0.07830 121 2PY -0.04552 0.03213 0.00603 -0.05145 -0.04416 122 2PZ -0.07001 0.03215 -0.05656 0.09613 0.00785 123 3S -0.30080 -1.21833 0.52013 0.88497 -2.30635 124 3PX 0.07042 0.05378 0.12689 -0.23089 -0.02726 125 3PY 0.16040 0.32898 -0.15335 -0.14696 -0.25784 126 3PZ 0.04700 -0.26527 0.23764 0.04803 -0.35580 127 4XX -0.05394 0.20151 -0.01893 -0.00394 0.06817 128 4YY 0.00679 0.03587 -0.01413 0.05408 -0.00587 129 4ZZ 0.05479 -0.19888 0.00874 -0.05598 -0.03926 130 4XY -0.08465 0.17029 -0.01871 0.15773 -0.02864 131 4XZ 0.03514 -0.03491 -0.02776 0.13544 0.05157 132 4YZ -0.06338 0.19535 0.03720 -0.05815 0.03339 133 15 H 1S 0.02548 0.12220 -0.02463 -0.05452 0.07922 134 2S 0.06268 0.09196 0.00515 -0.14047 0.19862 135 16 H 1S -0.02727 0.16913 -0.10068 -0.00148 0.13356 136 2S 0.02029 0.16216 -0.18072 -0.01097 0.27940 137 17 H 1S 0.06380 0.13115 0.18121 0.10253 0.01969 138 2S -0.01699 0.03504 0.29889 0.14011 0.07218 139 18 H 1S 0.06377 0.13126 -0.18124 0.10254 -0.01980 140 2S -0.01696 0.03529 -0.29907 0.14009 -0.07211 141 19 O 1S -0.00034 0.00210 -0.02345 0.00647 0.05016 142 2S 0.02723 0.05470 -0.35176 0.11979 0.92075 143 2PX 0.00334 -0.07256 0.02443 -0.02799 0.09152 144 2PY 0.02778 0.06626 -0.11370 0.04316 0.15004 145 2PZ 0.10077 0.06329 -0.09492 0.06283 -0.11094 146 3S -0.09092 -0.14637 1.13507 -0.31152 -2.50813 147 3PX 0.10183 0.45870 -0.01327 0.28616 -0.39482 148 3PY -0.13775 -0.28396 0.45146 -0.26326 -0.50057 149 3PZ -0.37373 -0.27407 0.29504 -0.23722 0.52222 150 4XX 0.16976 -0.02407 -0.02075 -0.02802 0.35090 151 4YY 0.02394 -0.00735 -0.17651 0.02929 0.34550 152 4ZZ -0.18457 0.07022 -0.08353 0.08709 -0.02112 153 4XY 0.06186 -0.05494 -0.10316 -0.04256 -0.03622 154 4XZ 0.04299 -0.02511 0.15579 -0.04484 -0.13246 155 4YZ 0.10337 -0.01741 -0.29791 -0.03500 -0.18451 156 20 O 1S -0.00035 0.00207 0.02344 0.00646 -0.05017 157 2S 0.02715 0.05433 0.35169 0.11981 -0.92089 158 2PX 0.00331 -0.07247 -0.02436 -0.02792 -0.09155 159 2PY -0.02780 -0.06617 -0.11370 -0.04320 0.15008 160 2PZ 0.10081 0.06316 0.09488 0.06283 0.11096 161 3S -0.09066 -0.14516 -1.13470 -0.31144 2.50844 162 3PX 0.10199 0.45845 0.01310 0.28590 0.39481 163 3PY 0.13783 0.28352 0.45132 0.26331 -0.50066 164 3PZ -0.37386 -0.27370 -0.29481 -0.23724 -0.52221 165 4XX 0.16969 -0.02408 0.02070 -0.02795 -0.35093 166 4YY 0.02398 -0.00755 0.17660 0.02924 -0.34547 167 4ZZ -0.18459 0.07013 0.08343 0.08708 0.02101 168 4XY -0.06187 0.05497 -0.10311 0.04245 -0.03628 169 4XZ 0.04298 -0.02499 -0.15580 -0.04490 0.13246 170 4YZ -0.10337 0.01754 -0.29785 0.03474 -0.18461 171 21 C 1S -0.01051 -0.02737 0.00000 -0.02245 0.00000 172 2S -0.19037 -0.35423 0.00005 -0.27268 0.00002 173 2PX -0.00545 0.03567 -0.00001 0.02001 -0.00002 174 2PY 0.00001 -0.00008 0.11157 -0.00002 -0.10501 175 2PZ -0.03037 -0.03285 0.00003 -0.03927 0.00001 176 3S 0.72305 1.57238 -0.00037 1.25994 -0.00019 177 3PX 0.29710 0.24146 -0.00012 0.27733 -0.00005 178 3PY 0.00005 -0.00030 0.38353 -0.00011 -0.20254 179 3PZ 0.30811 0.08595 0.00005 0.16471 -0.00013 180 4XX 0.03057 -0.01193 -0.00002 0.00895 0.00001 181 4YY 0.05460 0.04021 -0.00009 0.01871 -0.00006 182 4ZZ -0.08914 -0.02025 0.00010 -0.01476 0.00003 183 4XY 0.00002 -0.00010 0.23536 0.00003 0.06821 184 4XZ 0.06496 -0.01299 0.00001 -0.01879 -0.00001 185 4YZ 0.00006 -0.00011 0.45726 0.00017 0.21577 186 22 H 1S -0.08110 -0.15987 0.00000 -0.15859 0.00003 187 2S -0.17382 -0.25741 0.00004 -0.22682 0.00007 188 23 H 1S 0.02378 -0.11259 0.00002 -0.07453 0.00000 189 2S 0.02664 -0.10820 0.00002 -0.02872 -0.00002 126 127 128 129 130 V V V V V Eigenvalues -- 1.58415 1.62899 1.64404 1.67981 1.73245 1 1 C 1S -0.00058 -0.02160 -0.02047 0.00959 -0.00547 2 2S 0.04611 -0.48671 -0.38922 0.08349 -0.06777 3 2PX -0.03388 -0.00539 0.01780 -0.04110 -0.06335 4 2PY 0.00401 -0.02633 -0.00996 0.02511 0.09797 5 2PZ -0.00599 0.11270 0.08269 -0.04935 0.11183 6 3S -0.10190 2.72274 2.46974 -0.22036 0.02432 7 3PX 0.00429 0.85686 0.57648 0.06375 -0.08469 8 3PY -0.06314 1.27736 0.54030 -0.09882 -0.34407 9 3PZ 0.21894 -1.93314 -1.67352 0.14695 0.17810 10 4XX 0.01872 -0.01242 -0.10250 0.12545 0.09064 11 4YY 0.03279 -0.00942 -0.01714 0.06431 -0.12718 12 4ZZ -0.05560 0.05236 0.12343 -0.19001 0.04829 13 4XY 0.03336 0.07337 0.08487 0.01839 0.08629 14 4XZ -0.10109 0.14822 0.17413 -0.11092 -0.20227 15 4YZ -0.02198 -0.03324 -0.02884 0.09145 0.02984 16 2 C 1S -0.05602 -0.00149 0.03656 0.02155 -0.01406 17 2S -0.71966 0.05978 0.54477 0.14563 -0.12222 18 2PX 0.06382 0.06373 -0.03481 -0.07050 0.00262 19 2PY 0.01486 0.02047 -0.01491 -0.02117 -0.09575 20 2PZ 0.08759 -0.10287 -0.06336 0.00057 -0.03763 21 3S 2.37143 -1.38564 -3.02860 -0.58472 0.45511 22 3PX -0.06872 -0.14255 0.02333 -0.08791 0.07125 23 3PY -0.03069 -1.04038 -0.96456 0.45663 0.74354 24 3PZ -0.79567 -0.09259 0.02258 0.20422 -0.02651 25 4XX 0.09332 0.13613 0.09548 0.02998 0.01170 26 4YY -0.07406 -0.01160 0.06443 -0.09219 0.01311 27 4ZZ -0.07256 -0.14082 -0.16991 0.09678 -0.03434 28 4XY 0.16168 -0.11939 -0.11181 0.02564 -0.08316 29 4XZ 0.06447 -0.16391 -0.22860 0.04364 0.05369 30 4YZ 0.11107 -0.04827 0.01799 -0.06227 0.16050 31 3 C 1S -0.05600 0.00147 -0.03658 0.02157 -0.01406 32 2S -0.71916 -0.05994 -0.54516 0.14590 -0.12228 33 2PX 0.06381 -0.06372 0.03484 -0.07051 0.00256 34 2PY -0.01495 0.02047 -0.01493 0.02118 0.09585 35 2PZ 0.08749 0.10289 0.06339 0.00054 -0.03758 36 3S 2.36811 1.38611 3.02973 -0.58618 0.45453 37 3PX -0.06899 0.14293 -0.02340 -0.08787 0.07120 38 3PY 0.03278 -1.04051 -0.96446 -0.45631 -0.74356 39 3PZ -0.79619 0.09207 -0.02319 0.20410 -0.02647 40 4XX 0.09350 -0.13608 -0.09534 0.03001 0.01167 41 4YY -0.07411 0.01157 -0.06456 -0.09215 0.01323 42 4ZZ -0.07272 0.14077 0.16992 0.09674 -0.03444 43 4XY -0.16162 -0.11954 -0.11197 -0.02552 0.08326 44 4XZ 0.06425 0.16392 0.22870 0.04358 0.05367 45 4YZ -0.11105 -0.04834 0.01792 0.06228 -0.16046 46 4 C 1S -0.00061 0.02159 0.02047 0.00958 -0.00547 47 2S 0.04539 0.48673 0.38920 0.08343 -0.06795 48 2PX -0.03390 0.00536 -0.01784 -0.04111 -0.06331 49 2PY -0.00405 -0.02632 -0.00994 -0.02510 -0.09798 50 2PZ -0.00587 -0.11272 -0.08268 -0.04935 0.11185 51 3S -0.09736 -2.72261 -2.46978 -0.21955 0.02490 52 3PX 0.00538 -0.85711 -0.57644 0.06405 -0.08469 53 3PY 0.06180 1.27691 0.53977 0.09871 0.34370 54 3PZ 0.21627 1.93348 1.67368 0.14622 0.17794 55 4XX 0.01871 0.01242 0.10256 0.12538 0.09064 56 4YY 0.03276 0.00945 0.01719 0.06434 -0.12721 57 4ZZ -0.05556 -0.05240 -0.12353 -0.18998 0.04832 58 4XY -0.03343 0.07335 0.08497 -0.01836 -0.08625 59 4XZ -0.10101 -0.14827 -0.17428 -0.11085 -0.20221 60 4YZ 0.02199 -0.03331 -0.02884 -0.09138 -0.02991 61 5 H 1S -0.07000 0.32719 0.15578 0.06285 -0.20920 62 2S -0.06514 0.66256 0.41820 -0.04256 -0.09363 63 6 H 1S -0.06970 -0.32724 -0.15578 0.06292 -0.20917 64 2S -0.06443 -0.66260 -0.41817 -0.04235 -0.09356 65 7 C 1S 0.04067 0.00844 -0.02732 0.00905 0.01832 66 2S 0.52730 0.22199 -0.21619 -0.04825 0.22436 67 2PX 0.01808 0.09469 -0.05088 -0.00757 0.06140 68 2PY -0.07981 -0.01181 0.09694 -0.05756 0.08124 69 2PZ 0.01395 0.10761 0.02672 -0.00423 0.04734 70 3S -2.00486 -0.73855 0.53983 -0.27010 -0.77329 71 3PX 0.05172 -0.04219 0.48851 -0.07996 0.16839 72 3PY 0.96007 -0.15195 -0.97574 0.43174 0.08430 73 3PZ -0.23792 -0.08451 -0.66875 0.34559 -0.28493 74 4XX -0.07806 0.23519 -0.16370 0.13946 0.05904 75 4YY 0.00156 0.01016 0.00343 -0.02875 -0.03146 76 4ZZ 0.10225 -0.25182 0.09964 -0.07170 0.01781 77 4XY 0.10242 -0.03034 0.07168 -0.24332 -0.13857 78 4XZ 0.07975 0.00449 -0.10568 0.15825 0.14887 79 4YZ 0.10901 0.08457 -0.11823 -0.13202 -0.05637 80 8 C 1S 0.04066 -0.00844 0.02737 0.00904 0.01834 81 2S 0.52710 -0.22196 0.21667 -0.04819 0.22467 82 2PX 0.01802 -0.09473 0.05089 -0.00758 0.06147 83 2PY 0.07981 -0.01178 0.09697 0.05755 -0.08124 84 2PZ 0.01404 -0.10762 -0.02670 -0.00420 0.04733 85 3S -2.00393 0.73827 -0.54169 -0.27087 -0.77476 86 3PX 0.05206 0.04223 -0.48842 -0.07938 0.16824 87 3PY -0.95998 -0.15208 -0.97675 -0.43108 -0.08349 88 3PZ -0.23879 0.08443 0.66836 0.34488 -0.28508 89 4XX -0.07811 -0.23524 0.16378 0.13935 0.05903 90 4YY 0.00161 -0.01021 -0.00342 -0.02882 -0.03150 91 4ZZ 0.10222 0.25194 -0.09966 -0.07155 0.01784 92 4XY -0.10244 -0.03042 0.07175 0.24322 0.13851 93 4XZ 0.07965 -0.00448 0.10592 0.15828 0.14887 94 4YZ -0.10894 0.08451 -0.11829 0.13207 0.05632 95 9 H 1S -0.29125 0.08849 -0.05413 0.24701 0.06015 96 2S -0.27530 0.25820 0.03601 0.25996 0.32708 97 10 H 1S -0.29113 -0.08854 0.05400 0.24697 0.06010 98 2S -0.27498 -0.25818 -0.03613 0.25997 0.32697 99 11 C 1S 0.02932 -0.01379 0.03129 -0.01084 0.01261 100 2S 0.34048 -0.17096 0.39399 -0.13458 0.14388 101 2PX 0.06270 -0.00321 0.01370 -0.00120 -0.05941 102 2PY -0.00889 0.01625 0.02864 -0.06728 0.04611 103 2PZ -0.01440 -0.08036 -0.02476 0.02397 0.07937 104 3S -1.52434 -0.04309 -2.13534 0.56154 -0.49427 105 3PX 0.34000 0.52592 0.51540 -0.03117 0.18366 106 3PY -0.44525 0.04216 0.31608 0.34549 -0.00089 107 3PZ -0.20576 0.32619 -0.07639 0.02781 -0.27853 108 4XX -0.11342 -0.01157 0.02937 -0.00060 -0.07460 109 4YY 0.00918 -0.01784 -0.01852 -0.03731 0.19548 110 4ZZ 0.14078 0.01802 -0.00710 0.02360 -0.11003 111 4XY 0.23733 0.01249 0.01328 -0.14300 -0.13309 112 4XZ -0.04411 0.03698 0.03750 0.11655 0.20808 113 4YZ 0.02304 -0.05952 -0.10125 0.19881 0.05972 114 12 H 1S 0.14520 0.03895 0.18410 -0.00297 0.05805 115 2S 0.06350 0.12581 0.15300 -0.12014 -0.08453 116 13 H 1S 0.06029 -0.18496 0.02863 -0.06301 0.06065 117 2S 0.16028 -0.21076 0.03003 -0.07899 0.02385 118 14 C 1S 0.02933 0.01380 -0.03128 -0.01083 0.01267 119 2S 0.34065 0.17109 -0.39387 -0.13448 0.14458 120 2PX 0.06273 0.00323 -0.01371 -0.00118 -0.05947 121 2PY 0.00888 0.01625 0.02863 0.06727 -0.04616 122 2PZ -0.01447 0.08037 0.02481 0.02397 0.07937 123 3S -1.52606 0.04254 2.13488 0.56077 -0.49674 124 3PX 0.34036 -0.52580 -0.51534 -0.03101 0.18399 125 3PY 0.44490 0.04220 0.31607 -0.34552 0.00052 126 3PZ -0.20574 -0.32632 0.07631 0.02756 -0.27856 127 4XX -0.11329 0.01155 -0.02947 -0.00065 -0.07469 128 4YY 0.00906 0.01787 0.01860 -0.03719 0.19554 129 4ZZ 0.14077 -0.01801 0.00713 0.02353 -0.10998 130 4XY -0.23741 0.01242 0.01324 0.14301 0.13294 131 4XZ -0.04409 -0.03698 -0.03742 0.11665 0.20809 132 4YZ -0.02301 -0.05950 -0.10132 -0.19878 -0.05957 133 15 H 1S 0.14528 -0.03892 -0.18401 -0.00294 0.05825 134 2S 0.06364 -0.12580 -0.15309 -0.12009 -0.08433 135 16 H 1S 0.06023 0.18497 -0.02858 -0.06297 0.06082 136 2S 0.16023 0.21082 -0.02997 -0.07892 0.02394 137 17 H 1S 0.27270 -0.11771 0.34750 0.22644 0.09200 138 2S 0.37636 0.01287 0.64730 0.30337 0.03795 139 18 H 1S 0.27294 0.11775 -0.34721 0.22661 0.09198 140 2S 0.37680 -0.01282 -0.64693 0.30371 0.03801 141 19 O 1S 0.00413 0.00370 -0.00931 0.04056 -0.04800 142 2S 0.02547 0.00660 -0.04985 0.59341 -0.58831 143 2PX -0.15434 0.00054 0.04808 -0.00241 0.00417 144 2PY 0.13990 -0.03825 0.00208 0.14686 -0.00914 145 2PZ 0.16762 0.06127 -0.08882 0.04750 0.02378 146 3S -0.08037 -0.02860 0.34999 -1.93926 2.11678 147 3PX 0.89349 0.17058 -0.36351 0.33565 0.07051 148 3PY -0.64911 -0.01026 0.26575 -0.87782 0.54084 149 3PZ -0.67215 -0.07626 0.31462 -0.34428 -0.17281 150 4XX 0.02993 -0.25989 0.26321 0.16589 -0.14369 151 4YY -0.05160 0.08051 -0.18188 0.18386 -0.29644 152 4ZZ 0.04483 0.18957 -0.14440 0.09037 0.02488 153 4XY -0.03614 -0.10592 0.01060 -0.15155 -0.00929 154 4XZ 0.02912 -0.04040 -0.00409 -0.08159 0.22994 155 4YZ 0.07748 -0.23884 0.04706 -0.04694 0.02473 156 20 O 1S 0.00413 -0.00370 0.00931 0.04054 -0.04800 157 2S 0.02554 -0.00673 0.04997 0.59310 -0.58828 158 2PX -0.15425 -0.00059 -0.04815 -0.00243 0.00417 159 2PY -0.13998 -0.03824 0.00189 -0.14686 0.00915 160 2PZ 0.16757 -0.06126 0.08895 0.04742 0.02379 161 3S -0.08019 0.02897 -0.35016 -1.93812 2.11680 162 3PX 0.89316 -0.17046 0.36425 0.33565 0.07055 163 3PY 0.64923 -0.01031 0.26647 0.87760 -0.54092 164 3PZ -0.67185 0.07620 -0.31522 -0.34401 -0.17290 165 4XX 0.03003 0.25989 -0.26320 0.16595 -0.14366 166 4YY -0.05160 -0.08048 0.18183 0.18367 -0.29645 167 4ZZ 0.04476 -0.18968 0.14454 0.09028 0.02485 168 4XY 0.03610 -0.10594 0.01069 0.15154 0.00922 169 4XZ 0.02905 0.04046 0.00412 -0.08151 0.22994 170 4YZ -0.07754 -0.23885 0.04706 0.04687 -0.02476 171 21 C 1S -0.04643 0.00000 -0.00002 -0.03928 0.02829 172 2S -0.53519 0.00003 -0.00026 -0.51797 0.45818 173 2PX 0.09176 0.00000 0.00005 0.11900 -0.03049 174 2PY -0.00003 -0.04573 0.14164 -0.00006 0.00001 175 2PZ -0.04877 0.00001 -0.00002 -0.08686 0.00221 176 3S 2.74958 -0.00006 0.00127 2.87756 -1.93152 177 3PX 0.45508 -0.00004 0.00021 0.75716 -0.55798 178 3PY -0.00015 -0.22018 0.48688 -0.00015 -0.00007 179 3PZ 0.07289 -0.00007 0.00019 0.25077 0.35554 180 4XX -0.01598 0.00001 -0.00005 -0.07964 -0.06672 181 4YY 0.11190 -0.00004 0.00007 0.20621 -0.07572 182 4ZZ -0.05339 0.00003 0.00000 -0.10379 0.13784 183 4XY -0.00005 -0.02151 0.16955 -0.00006 -0.00007 184 4XZ 0.07370 0.00000 0.00007 -0.02844 0.16610 185 4YZ 0.00007 0.10862 0.09325 0.00002 -0.00006 186 22 H 1S -0.25238 -0.00001 -0.00013 -0.26942 0.06821 187 2S -0.34881 0.00004 -0.00022 -0.45998 0.09339 188 23 H 1S -0.23820 -0.00002 -0.00009 -0.08402 0.08225 189 2S -0.20620 -0.00002 -0.00006 -0.06597 0.19708 131 132 133 134 135 V V V V V Eigenvalues -- 1.74685 1.75979 1.79218 1.85799 1.87087 1 1 C 1S -0.01711 -0.00410 0.00506 -0.01771 0.01321 2 2S -0.11579 -0.13926 0.03848 -0.01754 0.13362 3 2PX -0.01687 0.00716 -0.06274 0.04293 0.03978 4 2PY 0.02506 -0.09388 0.10509 0.10322 0.00099 5 2PZ -0.05633 0.04235 0.09041 -0.05767 -0.08593 6 3S 1.47983 0.04821 -0.30047 1.31352 -0.41036 7 3PX 0.20231 -0.11749 -0.17580 0.30580 0.02983 8 3PY -0.12573 0.01366 -0.40586 0.53379 0.15348 9 3PZ -0.93764 0.13479 0.47315 -0.65208 0.07514 10 4XX 0.06264 -0.10232 0.04178 -0.07358 0.26295 11 4YY 0.01060 0.14249 -0.04183 0.13179 -0.03430 12 4ZZ -0.05555 -0.03614 0.03456 -0.02405 -0.16867 13 4XY -0.04600 0.02457 0.16096 0.02947 -0.04688 14 4XZ -0.01727 -0.00696 -0.18050 0.11422 0.19666 15 4YZ 0.00317 -0.15730 -0.05028 0.03162 0.03469 16 2 C 1S 0.02758 -0.00160 -0.00855 0.00400 0.00632 17 2S 0.50691 -0.31144 -0.28783 -0.12719 0.07765 18 2PX 0.02865 -0.12852 0.01924 0.03713 0.05609 19 2PY 0.13574 -0.10985 -0.10714 -0.05727 0.05498 20 2PZ -0.13705 0.19055 0.03783 0.05339 0.03730 21 3S -0.90766 0.57751 0.84752 -0.51207 -0.12350 22 3PX 0.59686 0.21070 0.13620 -0.30356 -0.29133 23 3PY -0.60242 0.50021 1.03591 -0.60044 0.09743 24 3PZ -0.75405 -0.27233 0.06194 -0.55137 0.11902 25 4XX 0.08679 -0.01746 0.03361 -0.31122 0.15387 26 4YY 0.02224 0.01369 0.03353 0.12853 -0.11014 27 4ZZ -0.06475 0.02210 -0.02838 0.18705 0.02742 28 4XY 0.10261 0.19857 0.01987 -0.11425 -0.17319 29 4XZ 0.03292 -0.10306 0.05333 -0.12180 0.16781 30 4YZ -0.05009 -0.17127 0.10774 -0.39385 -0.14896 31 3 C 1S -0.02760 -0.00161 -0.00857 -0.00400 0.00634 32 2S -0.50688 -0.31140 -0.28812 0.12710 0.07796 33 2PX -0.02872 -0.12855 0.01925 -0.03718 0.05604 34 2PY 0.13559 0.10978 0.10718 -0.05721 -0.05506 35 2PZ 0.13709 0.19058 0.03792 -0.05341 0.03726 36 3S 0.90755 0.57737 0.84810 0.51205 -0.12426 37 3PX -0.59698 0.21086 0.13607 0.30394 -0.29125 38 3PY -0.60157 -0.50006 -1.03606 -0.60042 -0.09766 39 3PZ 0.75379 -0.27268 0.06203 0.55109 0.11948 40 4XX -0.08697 -0.01743 0.03351 0.31112 0.15397 41 4YY -0.02216 0.01356 0.03355 -0.12833 -0.11032 42 4ZZ 0.06480 0.02219 -0.02833 -0.18719 0.02748 43 4XY 0.10251 -0.19852 -0.01983 -0.11429 0.17317 44 4XZ -0.03298 -0.10314 0.05331 0.12168 0.16784 45 4YZ -0.05000 0.17129 -0.10767 -0.39390 0.14870 46 4 C 1S 0.01711 -0.00411 0.00507 0.01770 0.01322 47 2S 0.11567 -0.13933 0.03856 0.01735 0.13353 48 2PX 0.01691 0.00713 -0.06270 -0.04298 0.03974 49 2PY 0.02518 0.09387 -0.10514 0.10321 -0.00096 50 2PZ 0.05631 0.04239 0.09041 0.05779 -0.08586 51 3S -1.47962 0.04864 -0.30114 -1.31304 -0.41064 52 3PX -0.20206 -0.11743 -0.17593 -0.30593 0.02983 53 3PY -0.12647 -0.01373 0.40555 0.53374 -0.15327 54 3PZ 0.93721 0.13457 0.47366 0.65213 0.07523 55 4XX -0.06273 -0.10230 0.04181 0.07334 0.26302 56 4YY -0.01051 0.14242 -0.04189 -0.13173 -0.03435 57 4ZZ 0.05553 -0.03610 0.03459 0.02419 -0.16873 58 4XY -0.04586 -0.02461 -0.16092 0.02952 0.04692 59 4XZ 0.01731 -0.00700 -0.18054 -0.11444 0.19654 60 4YZ 0.00322 0.15734 0.05022 0.03159 -0.03466 61 5 H 1S 0.04282 -0.12970 -0.27896 0.15668 0.20264 62 2S 0.15365 -0.03029 -0.18362 0.22005 0.02950 63 6 H 1S -0.04265 -0.12969 -0.27894 -0.15687 0.20259 64 2S -0.15345 -0.03025 -0.18366 -0.22010 0.02941 65 7 C 1S -0.03853 0.00796 0.00716 0.00382 0.01153 66 2S -0.55593 0.11253 0.08809 -0.02307 0.31145 67 2PX -0.15482 0.00022 -0.10885 -0.03035 -0.05040 68 2PY 0.04910 0.05799 0.01457 0.00056 -0.03026 69 2PZ 0.05748 0.03556 -0.01148 0.02128 0.14158 70 3S 1.88085 -0.21851 0.24295 -0.10253 -0.43637 71 3PX 1.14372 0.09515 -0.03530 0.33226 0.02907 72 3PY 0.39758 -0.13693 -0.37004 0.07275 0.07397 73 3PZ -0.78096 -0.28066 -0.07517 -0.45487 -0.11399 74 4XX -0.01411 -0.04515 -0.14406 -0.00166 -0.14895 75 4YY 0.00745 0.00739 0.06345 0.00627 0.10874 76 4ZZ -0.01677 0.04901 0.06602 0.00310 -0.00807 77 4XY -0.03411 0.02102 0.21691 -0.02319 0.11781 78 4XZ 0.01698 -0.00117 -0.15226 0.01280 0.13628 79 4YZ -0.13585 0.00436 -0.00232 -0.03483 -0.18367 80 8 C 1S 0.03854 0.00795 0.00717 -0.00382 0.01154 81 2S 0.55607 0.11244 0.08811 0.02300 0.31138 82 2PX 0.15491 0.00020 -0.10882 0.03034 -0.05036 83 2PY 0.04914 -0.05799 -0.01454 0.00053 0.03019 84 2PZ -0.05752 0.03555 -0.01152 -0.02133 0.14153 85 3S -1.88123 -0.21814 0.24315 0.10270 -0.43612 86 3PX -1.14399 0.09522 -0.03598 -0.33229 0.02866 87 3PY 0.39713 0.13684 0.36984 0.07273 -0.07395 88 3PZ 0.78123 -0.28075 -0.07446 0.45501 -0.11320 89 4XX 0.01416 -0.04516 -0.14399 0.00175 -0.14886 90 4YY -0.00743 0.00739 0.06345 -0.00633 0.10864 91 4ZZ 0.01670 0.04899 0.06599 -0.00308 -0.00803 92 4XY -0.03403 -0.02100 -0.21688 -0.02317 -0.11788 93 4XZ -0.01698 -0.00118 -0.15228 -0.01283 0.13633 94 4YZ -0.13598 -0.00436 0.00224 -0.03486 0.18366 95 9 H 1S 0.07118 0.01548 0.13121 0.16106 0.12836 96 2S 0.11371 0.14254 0.29880 0.17097 0.05973 97 10 H 1S -0.07145 0.01549 0.13121 -0.16113 0.12811 98 2S -0.11420 0.14252 0.29884 -0.17103 0.05962 99 11 C 1S -0.11687 0.00449 0.00948 -0.01410 -0.01523 100 2S -1.49990 0.23622 0.15265 0.09646 -0.08491 101 2PX 0.18790 0.05691 -0.02573 0.01530 0.03134 102 2PY -0.04724 -0.24755 -0.02932 -0.01917 -0.01984 103 2PZ -0.03912 -0.05331 0.02550 0.13114 0.00300 104 3S 4.81175 -0.54633 -0.55241 -0.18683 0.43946 105 3PX -0.56797 0.09785 0.19401 -0.70991 0.01518 106 3PY -0.93660 0.26714 0.12923 0.18637 0.18118 107 3PZ 0.05086 -0.07235 -0.26663 -1.21686 0.09470 108 4XX 0.06490 0.10238 -0.01097 -0.15454 0.13303 109 4YY 0.02951 -0.29924 0.10353 0.04361 -0.12673 110 4ZZ -0.14963 0.17276 -0.09491 0.09052 0.02244 111 4XY -0.12602 -0.23915 -0.20374 0.07292 0.09515 112 4XZ 0.12823 -0.01820 0.20953 0.25918 0.14068 113 4YZ 0.01827 0.27383 0.09726 0.24781 0.00539 114 12 H 1S -0.40393 0.03247 0.01257 -0.32225 -0.07181 115 2S -0.36243 0.01725 -0.01067 -0.39736 -0.00924 116 13 H 1S -0.40031 0.02252 0.03398 0.16981 -0.21889 117 2S -0.15290 0.02425 0.01203 0.34451 -0.01573 118 14 C 1S 0.11686 0.00448 0.00952 0.01411 -0.01519 119 2S 1.49966 0.23606 0.15324 -0.09647 -0.08456 120 2PX -0.18779 0.05687 -0.02581 -0.01529 0.03130 121 2PY -0.04732 0.24759 0.02929 -0.01917 0.01979 122 2PZ 0.03909 -0.05325 0.02556 -0.13113 0.00291 123 3S -4.81124 -0.54574 -0.55422 0.18657 0.43790 124 3PX 0.56785 0.09768 0.19410 0.70977 0.01583 125 3PY -0.93626 -0.26706 -0.12947 0.18646 -0.18125 126 3PZ -0.05082 -0.07255 -0.26695 1.21687 0.09529 127 4XX -0.06482 0.10223 -0.01116 0.15443 0.13311 128 4YY -0.02966 -0.29905 0.10364 -0.04354 -0.12682 129 4ZZ 0.14967 0.17271 -0.09482 -0.09051 0.02247 130 4XY -0.12613 0.23925 0.20357 0.07316 -0.09521 131 4XZ -0.12847 -0.01808 0.20956 -0.25929 0.14044 132 4YZ 0.01821 -0.27397 -0.09721 0.24764 -0.00520 133 15 H 1S 0.40396 0.03239 0.01266 0.32236 -0.07152 134 2S 0.36240 0.01711 -0.01067 0.39735 -0.00886 135 16 H 1S 0.40033 0.02252 0.03418 -0.16964 -0.21887 136 2S 0.15298 0.02429 0.01217 -0.34448 -0.01585 137 17 H 1S 0.25697 -0.02468 -0.12271 0.04776 0.19761 138 2S 0.50241 -0.15870 -0.11313 0.14894 -0.00205 139 18 H 1S -0.25695 -0.02465 -0.12286 -0.04780 0.19744 140 2S -0.50220 -0.15863 -0.11343 -0.14892 -0.00229 141 19 O 1S -0.01115 -0.02495 0.02559 -0.00807 -0.00433 142 2S -0.20868 -0.36545 0.30791 -0.10247 -0.00576 143 2PX -0.00671 -0.02729 -0.04504 0.00523 -0.02903 144 2PY 0.02176 -0.02699 -0.05007 0.00544 0.03782 145 2PZ 0.01764 -0.01432 -0.04656 0.00652 -0.04526 146 3S 0.73804 1.22277 -1.16993 0.46621 0.14146 147 3PX 0.06997 0.01711 -0.01325 0.09010 0.00339 148 3PY 0.01169 0.38215 -0.16743 0.03763 0.01398 149 3PZ -0.10664 0.05582 0.26236 -0.08071 0.13636 150 4XX -0.02137 -0.07615 0.07612 -0.00466 -0.12412 151 4YY -0.09764 -0.13757 0.23717 -0.04823 -0.00360 152 4ZZ -0.01852 -0.03022 -0.11712 -0.01204 0.13913 153 4XY -0.04186 0.04062 0.16064 0.00211 0.08484 154 4XZ 0.01872 0.11764 -0.15195 0.01494 0.07318 155 4YZ 0.04697 0.02187 0.05544 0.01832 0.08335 156 20 O 1S 0.01116 -0.02495 0.02561 0.00808 -0.00433 157 2S 0.20890 -0.36544 0.30819 0.10260 -0.00550 158 2PX 0.00674 -0.02730 -0.04499 -0.00523 -0.02902 159 2PY 0.02171 0.02700 0.05006 0.00544 -0.03790 160 2PZ -0.01761 -0.01431 -0.04656 -0.00649 -0.04525 161 3S -0.73868 1.22272 -1.17083 -0.46668 0.14073 162 3PX -0.06990 0.01719 -0.01344 -0.09007 0.00321 163 3PY 0.01199 -0.38213 0.16755 0.03776 -0.01386 164 3PZ 0.10648 0.05571 0.26247 0.08066 0.13639 165 4XX 0.02147 -0.07616 0.07611 0.00472 -0.12410 166 4YY 0.09766 -0.13755 0.23732 0.04827 -0.00361 167 4ZZ 0.01855 -0.03022 -0.11709 0.01200 0.13920 168 4XY -0.04179 -0.04065 -0.16061 0.00212 -0.08486 169 4XZ -0.01876 0.11765 -0.15204 -0.01500 0.07309 170 4YZ 0.04699 -0.02187 -0.05531 0.01835 -0.08332 171 21 C 1S 0.00000 0.01562 -0.03392 0.00000 -0.01130 172 2S -0.00003 0.25368 -0.49532 -0.00004 -0.05510 173 2PX 0.00004 -0.02391 -0.06422 0.00002 -0.05198 174 2PY 0.04439 0.00001 0.00002 0.01418 0.00004 175 2PZ -0.00002 0.03625 0.02641 0.00000 -0.00653 176 3S 0.00035 -1.19819 1.45601 0.00025 0.12062 177 3PX 0.00008 -0.39440 0.40054 0.00007 -0.05711 178 3PY 0.05367 0.00002 0.00011 0.01809 -0.00001 179 3PZ 0.00013 -0.03158 -0.66756 0.00001 -0.36354 180 4XX -0.00006 0.01834 0.27112 -0.00004 0.31732 181 4YY 0.00009 -0.10140 -0.13623 0.00007 -0.36026 182 4ZZ -0.00002 0.06957 -0.12655 -0.00003 0.06394 183 4XY -0.02586 0.00000 0.00005 -0.00475 -0.00005 184 4XZ 0.00003 0.03446 -0.14763 -0.00001 0.01346 185 4YZ -0.01356 -0.00002 0.00001 -0.03401 -0.00001 186 22 H 1S -0.00003 0.08494 0.03392 -0.00001 0.02123 187 2S -0.00010 0.15236 0.08421 -0.00003 0.12558 188 23 H 1S 0.00002 0.03149 -0.22495 0.00002 -0.27388 189 2S 0.00001 0.02035 -0.23187 -0.00002 -0.06006 136 137 138 139 140 V V V V V Eigenvalues -- 1.89384 1.89863 1.94416 1.96129 1.96314 1 1 C 1S 0.00165 -0.00993 0.00565 0.00070 -0.00325 2 2S -0.05087 -0.28353 -0.13731 0.03650 -0.01365 3 2PX -0.01320 0.01651 0.02075 -0.00786 -0.03709 4 2PY 0.06274 -0.08974 -0.09771 0.19502 -0.05739 5 2PZ 0.03495 0.03367 -0.00283 0.02765 0.00990 6 3S 0.19917 0.52817 0.03997 -0.06029 0.21570 7 3PX 0.09115 0.09349 -0.01449 0.20079 0.02496 8 3PY -0.13250 0.10905 0.09091 -0.47224 0.01552 9 3PZ -0.14813 -0.28821 0.10587 -0.43179 -0.00184 10 4XX 0.04518 -0.21402 0.06213 0.09635 -0.03097 11 4YY -0.00517 0.18708 0.21746 0.04612 0.08752 12 4ZZ -0.05697 -0.05031 -0.26790 -0.16840 -0.06784 13 4XY -0.04524 -0.09931 -0.00856 -0.04612 0.10064 14 4XZ -0.04300 -0.11145 0.00057 0.01521 -0.01818 15 4YZ 0.05743 0.08712 -0.07449 0.17620 -0.17969 16 2 C 1S 0.00689 0.00069 -0.00369 0.03407 0.00103 17 2S 0.12274 -0.05057 -0.03611 0.51702 0.26622 18 2PX 0.02197 -0.00849 0.01687 -0.02770 0.01678 19 2PY 0.07396 0.02277 0.07919 0.13156 0.09222 20 2PZ 0.01191 -0.03465 0.09705 -0.04055 0.05915 21 3S -0.37333 -0.19434 0.29630 -1.65217 -0.42677 22 3PX -0.07930 0.02866 -0.11726 0.03664 -0.05223 23 3PY -0.10679 -0.38727 0.24231 0.20773 -0.16686 24 3PZ -0.15730 -0.23000 -0.29334 0.07678 -0.09668 25 4XX -0.01880 -0.15283 0.04389 0.08355 -0.01363 26 4YY -0.14073 -0.01446 -0.08316 -0.40756 0.04767 27 4ZZ 0.14450 0.12006 0.10768 0.26809 -0.00719 28 4XY -0.05834 0.00344 -0.18596 -0.09318 -0.06560 29 4XZ 0.02684 -0.17936 0.06301 -0.07110 0.10250 30 4YZ 0.01864 -0.02799 -0.23081 -0.09983 -0.08693 31 3 C 1S -0.00689 0.00067 -0.00365 -0.03408 0.00094 32 2S -0.12283 -0.05077 -0.03546 -0.51770 0.26493 33 2PX -0.02198 -0.00840 0.01679 0.02762 0.01689 34 2PY 0.07392 -0.02281 -0.07930 0.13166 -0.09190 35 2PZ -0.01195 -0.03462 0.09700 0.04059 0.05920 36 3S 0.37322 -0.19366 0.29433 1.65375 -0.42270 37 3PX 0.07927 0.02833 -0.11693 -0.03667 -0.05246 38 3PY -0.10637 0.38726 -0.24221 0.20718 0.16752 39 3PZ 0.15719 -0.23033 -0.29329 -0.07685 -0.09675 40 4XX 0.01869 -0.15291 0.04383 -0.08335 -0.01392 41 4YY 0.14062 -0.01454 -0.08343 0.40736 0.04873 42 4ZZ -0.14433 0.12024 0.10792 -0.26810 -0.00784 43 4XY -0.05836 -0.00328 0.18590 -0.09335 0.06538 44 4XZ -0.02702 -0.17927 0.06284 0.07091 0.10269 45 4YZ 0.01873 0.02802 0.23079 -0.09966 0.08666 46 4 C 1S -0.00166 -0.00993 0.00565 -0.00068 -0.00325 47 2S 0.05063 -0.28357 -0.13727 -0.03653 -0.01383 48 2PX 0.01321 0.01649 0.02073 0.00795 -0.03711 49 2PY 0.06284 0.08969 0.09758 0.19495 0.05789 50 2PZ -0.03492 0.03370 -0.00280 -0.02765 0.00989 51 3S -0.19887 0.52828 0.04016 0.05972 0.21615 52 3PX -0.09100 0.09357 -0.01437 -0.20081 0.02457 53 3PY -0.13277 -0.10898 -0.09049 -0.47240 -0.01690 54 3PZ 0.14781 -0.28828 0.10551 0.43188 -0.00097 55 4XX -0.04536 -0.21404 0.06220 -0.09607 -0.03121 56 4YY 0.00532 0.18717 0.21746 -0.04627 0.08727 57 4ZZ 0.05693 -0.05040 -0.26800 0.16835 -0.06731 58 4XY -0.04514 0.09930 0.00851 -0.04589 -0.10076 59 4XZ 0.04293 -0.11139 0.00049 -0.01514 -0.01830 60 4YZ 0.05728 -0.08711 0.07446 0.17586 0.18020 61 5 H 1S 0.04360 0.07883 0.02851 0.20809 -0.13253 62 2S -0.01303 0.02463 -0.03720 0.00002 0.01453 63 6 H 1S -0.04342 0.07889 0.02860 -0.20776 -0.13305 64 2S 0.01308 0.02464 -0.03724 -0.00012 0.01462 65 7 C 1S 0.00194 0.00904 -0.00040 -0.01890 -0.00039 66 2S 0.06781 -0.02341 0.08914 -0.27967 0.05701 67 2PX 0.02188 -0.09242 0.06308 -0.10910 0.04383 68 2PY 0.21513 0.01372 -0.01756 0.00028 0.14015 69 2PZ 0.00041 0.11514 -0.06965 -0.02116 0.00745 70 3S 0.34071 0.08685 -0.25595 0.78330 0.00441 71 3PX 0.11904 0.01306 0.01107 0.28543 -0.02409 72 3PY 0.57916 -0.03064 -0.00650 -0.25611 -0.18670 73 3PZ 0.38912 0.08161 -0.28941 0.08690 0.06562 74 4XX 0.01530 0.02777 -0.10356 0.00990 0.03504 75 4YY 0.05901 0.03367 0.07655 0.02825 -0.23776 76 4ZZ -0.08211 -0.03765 -0.01124 0.00513 0.24224 77 4XY 0.24186 0.13997 -0.06214 -0.11375 0.13576 78 4XZ 0.11532 0.08094 -0.17380 0.03558 -0.04638 79 4YZ -0.10748 -0.32044 0.29395 -0.03425 -0.11990 80 8 C 1S -0.00193 0.00906 -0.00043 0.01891 -0.00033 81 2S -0.06784 -0.02304 0.08846 0.27989 0.05776 82 2PX -0.02199 -0.09233 0.06286 0.10896 0.04412 83 2PY 0.21514 -0.01398 0.01756 0.00065 -0.14011 84 2PZ -0.00017 0.11517 -0.06970 0.02108 0.00746 85 3S -0.34064 0.08567 -0.25338 -0.78378 0.00201 86 3PX -0.11917 0.01351 0.01114 -0.28532 -0.02477 87 3PY 0.57917 0.03021 0.00634 -0.25651 0.18624 88 3PZ -0.38875 0.08137 -0.28873 -0.08752 0.06526 89 4XX -0.01527 0.02777 -0.10350 -0.01018 0.03506 90 4YY -0.05890 0.03357 0.07674 -0.02758 -0.23790 91 4ZZ 0.08197 -0.03762 -0.01133 -0.00566 0.24226 92 4XY 0.24163 -0.14031 0.06238 -0.11333 -0.13601 93 4XZ -0.11517 0.08101 -0.17363 -0.03555 -0.04652 94 4YZ -0.10698 0.32058 -0.29385 -0.03500 0.11966 95 9 H 1S -0.13172 -0.03214 0.14801 -0.55422 -0.00269 96 2S 0.04570 -0.15016 0.05681 -0.11562 -0.02114 97 10 H 1S 0.13170 -0.03215 0.14762 0.55430 -0.00124 98 2S -0.04590 -0.15009 0.05668 0.11568 -0.02080 99 11 C 1S 0.00283 0.02388 0.02059 -0.00049 -0.00896 100 2S -0.04902 -0.16048 -0.09715 0.02454 -0.04211 101 2PX 0.04460 0.03742 0.00143 0.02431 0.00024 102 2PY 0.02909 0.10551 0.08804 0.11234 0.03869 103 2PZ -0.01590 0.00918 0.00751 0.02548 0.02974 104 3S -0.04163 -0.15600 -0.25086 -0.14496 0.21386 105 3PX -0.31800 -0.04791 0.27349 -0.24366 0.00472 106 3PY -0.04650 -0.28950 -0.12846 -0.58865 -0.00684 107 3PZ -0.16318 0.12685 0.10536 -0.25040 0.03795 108 4XX -0.01826 -0.18403 -0.13974 -0.01146 0.01537 109 4YY -0.02099 0.29140 0.29814 -0.02027 0.00650 110 4ZZ 0.04927 -0.09704 -0.13185 0.05051 -0.02359 111 4XY 0.13285 0.06349 0.10141 0.23515 0.08986 112 4XZ -0.07612 -0.17957 0.04135 -0.11252 0.11832 113 4YZ -0.00144 0.14283 0.21580 -0.17688 -0.00964 114 12 H 1S -0.06486 0.23227 0.24538 -0.08345 -0.03542 115 2S -0.02728 0.02907 0.01318 0.05770 -0.00041 116 13 H 1S 0.07077 0.14643 -0.02372 0.07555 -0.11031 117 2S 0.11791 0.00944 -0.08315 0.23741 0.00304 118 14 C 1S -0.00281 0.02387 0.02059 0.00052 -0.00895 119 2S 0.04880 -0.16078 -0.09703 -0.02454 -0.04221 120 2PX -0.04454 0.03752 0.00145 -0.02432 0.00022 121 2PY 0.02897 -0.10550 -0.08813 0.11237 -0.03841 122 2PZ 0.01590 0.00917 0.00753 -0.02556 0.02964 123 3S 0.04163 -0.15499 -0.25136 0.14417 0.21408 124 3PX 0.31785 -0.04878 0.27351 0.24398 0.00530 125 3PY -0.04618 0.28957 0.12887 -0.58850 0.00533 126 3PZ 0.16332 0.12652 0.10525 0.25028 0.03859 127 4XX 0.01806 -0.18403 -0.13969 0.01122 0.01542 128 4YY 0.02130 0.29141 0.29816 0.02062 0.00649 129 4ZZ -0.04936 -0.09704 -0.13191 -0.05059 -0.02366 130 4XY 0.13278 -0.06370 -0.10170 0.23530 -0.08933 131 4XZ 0.07599 -0.17959 0.04138 0.11238 0.11853 132 4YZ -0.00153 -0.14290 -0.21552 -0.17696 0.00919 133 15 H 1S 0.06505 0.23204 0.24536 0.08369 -0.03518 134 2S 0.02733 0.02886 0.01327 -0.05768 -0.00056 135 16 H 1S -0.07065 0.14652 -0.02372 -0.07529 -0.11048 136 2S -0.11786 0.00961 -0.08299 -0.23745 0.00245 137 17 H 1S -0.30607 0.28889 -0.29191 0.17500 0.05344 138 2S -0.18570 -0.11155 0.03178 0.08589 -0.04347 139 18 H 1S 0.30660 0.28852 -0.29176 -0.17556 0.05305 140 2S 0.18561 -0.11164 0.03180 -0.08574 -0.04365 141 19 O 1S -0.01317 0.00778 -0.01629 0.01391 0.01131 142 2S 0.01161 0.00660 -0.19184 -0.01387 -0.00657 143 2PX 0.03047 -0.01864 -0.01159 0.07726 -0.05616 144 2PY 0.18858 -0.00403 -0.01980 -0.12006 -0.02899 145 2PZ 0.06695 0.03436 -0.05031 -0.06778 0.19149 146 3S 0.17774 -0.12088 0.70920 -0.23234 -0.20622 147 3PX -0.12983 -0.18157 0.17146 -0.19952 -0.04810 148 3PY -0.24998 0.00816 0.20189 0.15542 -0.02096 149 3PZ -0.13377 0.05687 0.06236 0.13254 -0.42171 150 4XX 0.14415 -0.04589 -0.00558 -0.04874 0.08434 151 4YY -0.43048 0.00365 -0.05042 0.20209 -0.01623 152 4ZZ 0.21881 0.07861 -0.07599 -0.09319 -0.04055 153 4XY -0.32679 0.04801 0.00946 0.02979 -0.05380 154 4XZ -0.18698 0.00877 0.01111 0.04238 0.07511 155 4YZ 0.00774 -0.00895 0.06356 0.00156 -0.37978 156 20 O 1S 0.01319 0.00774 -0.01626 -0.01395 0.01128 157 2S -0.01160 0.00639 -0.19164 0.01405 -0.00650 158 2PX -0.03052 -0.01867 -0.01141 -0.07710 -0.05640 159 2PY 0.18859 0.00376 0.01996 -0.12020 0.02863 160 2PZ -0.06687 0.03448 -0.05043 0.06717 0.19166 161 3S -0.17798 -0.11971 0.70809 0.23291 -0.20562 162 3PX 0.12955 -0.18136 0.17091 0.19988 -0.04745 163 3PY -0.24998 -0.00796 -0.20195 0.15541 0.02143 164 3PZ 0.13387 0.05651 0.06261 -0.13131 -0.42203 165 4XX -0.14426 -0.04577 -0.00557 0.04853 0.08443 166 4YY 0.43047 0.00298 -0.05005 -0.20201 -0.01685 167 4ZZ -0.21862 0.07892 -0.07617 0.09324 -0.04015 168 4XY -0.32694 -0.04765 -0.00945 0.02956 0.05376 169 4XZ 0.18690 0.00857 0.01113 -0.04248 0.07504 170 4YZ 0.00785 0.00892 -0.06356 0.00043 0.37981 171 21 C 1S 0.00000 -0.00266 0.01000 0.00000 -0.01280 172 2S 0.00003 0.03859 0.06302 0.00002 -0.03921 173 2PX -0.00003 -0.02464 -0.01165 -0.00006 0.06458 174 2PY 0.09366 -0.00003 -0.00007 0.08851 0.00014 175 2PZ 0.00000 0.01387 0.01098 -0.00011 0.09069 176 3S -0.00017 -0.16698 -0.44769 -0.00017 0.36488 177 3PX -0.00001 0.06074 -0.28208 -0.00058 0.37959 178 3PY 0.20594 -0.00011 0.00004 -0.06797 -0.00011 179 3PZ -0.00009 -0.11102 -0.10837 -0.00131 0.89924 180 4XX 0.00021 0.25382 -0.15204 0.00020 -0.17938 181 4YY -0.00020 -0.26739 0.14209 0.00006 -0.08486 182 4ZZ -0.00001 0.01532 -0.00094 -0.00030 0.29424 183 4XY 0.06654 -0.00006 0.00016 -0.18832 -0.00027 184 4XZ -0.00004 -0.10375 0.10397 0.00048 -0.29811 185 4YZ -0.03547 0.00000 0.00000 0.06411 0.00003 186 22 H 1S 0.00004 -0.00846 0.10187 0.00067 -0.54681 187 2S 0.00006 0.08915 0.07100 0.00034 -0.25222 188 23 H 1S -0.00009 -0.06180 0.01113 -0.00062 0.37890 189 2S 0.00002 0.03681 -0.07683 -0.00035 0.20254 141 142 143 144 145 V V V V V Eigenvalues -- 1.98887 2.01319 2.01546 2.02323 2.05929 1 1 C 1S -0.00521 -0.00915 0.01018 0.01047 0.00453 2 2S -0.16808 -0.05657 0.45309 0.05779 0.13660 3 2PX -0.02967 0.00716 0.03141 0.05749 0.02362 4 2PY 0.01963 -0.04988 0.08739 0.13763 0.01510 5 2PZ 0.06791 0.00339 -0.12945 -0.01385 -0.02529 6 3S 0.57505 0.51456 -1.60959 -0.50066 0.02046 7 3PX 0.16723 -0.06208 -0.23820 -0.05999 -0.04221 8 3PY 0.11748 -0.02225 -0.72149 -0.12865 -0.02166 9 3PZ -0.43409 -0.10735 0.72351 0.11201 0.06491 10 4XX 0.01748 -0.04539 0.01118 0.14846 0.13751 11 4YY -0.03048 0.03427 0.09974 -0.15864 -0.07030 12 4ZZ -0.00099 0.00281 -0.12516 0.04445 -0.03684 13 4XY -0.07738 0.07159 0.07119 -0.17757 0.00422 14 4XZ -0.00845 -0.01126 0.02992 0.10594 -0.00942 15 4YZ 0.00842 -0.22153 0.09675 0.31541 -0.15623 16 2 C 1S 0.00058 0.01472 0.00634 0.00009 0.00460 17 2S 0.18422 0.45969 -0.19233 -0.51419 0.22278 18 2PX 0.04830 -0.06363 -0.13150 0.00092 -0.08250 19 2PY 0.06258 0.08386 -0.04421 -0.17147 0.04155 20 2PZ -0.07033 0.05234 0.12479 -0.05491 0.09136 21 3S -0.44541 -1.02187 0.65349 0.77409 -0.39462 22 3PX -0.18215 0.21278 0.51795 0.00123 0.05767 23 3PY -0.10517 -0.39083 0.61677 0.63635 -0.20520 24 3PZ -0.04644 0.00655 -0.13097 0.17943 -0.02582 25 4XX -0.04960 0.01152 0.16386 0.04167 -0.02359 26 4YY -0.07480 0.08671 -0.13759 -0.07812 0.10056 27 4ZZ 0.09551 -0.10940 -0.00870 0.04587 -0.08271 28 4XY -0.17717 0.05867 0.26662 -0.04059 -0.03966 29 4XZ 0.08105 -0.05871 -0.16262 -0.13537 -0.05233 30 4YZ 0.01988 -0.03154 -0.12966 0.06051 -0.09190 31 3 C 1S -0.00060 0.01475 -0.00633 0.00008 0.00458 32 2S -0.18428 0.45931 0.19411 -0.51374 0.22251 33 2PX -0.04827 -0.06382 0.13144 0.00115 -0.08235 34 2PY 0.06252 -0.08384 -0.04469 0.17140 -0.04167 35 2PZ 0.07036 0.05258 -0.12460 -0.05514 0.09136 36 3S 0.44562 -1.02069 -0.65626 0.77249 -0.39354 37 3PX 0.18200 0.21362 -0.51790 0.00030 0.05719 38 3PY -0.10493 0.38943 0.61851 -0.63503 0.20504 39 3PZ 0.04630 0.00639 0.13085 0.17972 -0.02604 40 4XX 0.04967 0.01203 -0.16394 0.04128 -0.02342 41 4YY 0.07471 0.08623 0.13797 -0.07775 0.10044 42 4ZZ -0.09549 -0.10935 0.00836 0.04586 -0.08266 43 4XY -0.17718 -0.05914 0.26629 0.04116 0.03988 44 4XZ -0.08101 -0.05899 0.16296 -0.13507 -0.05206 45 4YZ 0.01988 0.03202 -0.12943 -0.06088 0.09218 46 4 C 1S 0.00521 -0.00914 -0.01021 0.01045 0.00452 47 2S 0.16811 -0.05552 -0.45327 0.05682 0.13671 48 2PX 0.02962 0.00723 -0.03155 0.05745 0.02366 49 2PY 0.01967 0.04962 0.08772 -0.13742 -0.01511 50 2PZ -0.06790 0.00306 0.12951 -0.01360 -0.02539 51 3S -0.57507 0.51103 1.61114 -0.49724 0.02016 52 3PX -0.16715 -0.06253 0.23834 -0.05953 -0.04221 53 3PY 0.11727 0.02380 -0.72162 0.12705 0.02154 54 3PZ 0.43409 -0.10596 -0.72396 0.11053 0.06499 55 4XX -0.01749 -0.04533 -0.01154 0.14835 0.13760 56 4YY 0.03047 0.03443 -0.09936 -0.15867 -0.07030 57 4ZZ 0.00100 0.00257 0.12508 0.04462 -0.03688 58 4XY -0.07742 -0.07174 0.07069 0.17774 -0.00410 59 4XZ 0.00839 -0.01110 -0.03009 0.10596 -0.00923 60 4YZ 0.00847 0.22132 0.09774 -0.31523 0.15627 61 5 H 1S 0.04981 -0.17262 0.03528 0.27102 -0.08788 62 2S 0.11073 -0.01360 -0.22739 -0.09456 0.00316 63 6 H 1S -0.04984 -0.17240 -0.03610 0.27093 -0.08775 64 2S -0.11067 -0.01405 0.22757 -0.09409 0.00317 65 7 C 1S 0.00014 -0.00263 0.00344 0.00581 0.00036 66 2S -0.11740 0.10907 -0.20830 0.31592 0.13522 67 2PX 0.05794 -0.21833 0.00437 -0.01620 0.01604 68 2PY -0.07313 -0.00695 -0.01040 0.11355 0.21794 69 2PZ -0.01373 0.05422 -0.08231 0.00510 -0.01442 70 3S -0.27100 0.47902 0.86014 -0.16195 0.05403 71 3PX 0.32173 0.42533 -0.55268 0.05350 -0.10806 72 3PY -0.12653 -0.40018 0.39942 -0.35874 -0.22983 73 3PZ -0.56373 -0.14236 0.93302 -0.26786 0.14302 74 4XX 0.09356 -0.12247 0.06506 -0.10457 0.35840 75 4YY -0.08759 0.03068 -0.03697 -0.12136 -0.43304 76 4ZZ -0.06321 0.13767 0.03932 0.21611 0.13668 77 4XY -0.06762 -0.09582 0.02833 -0.01445 0.02723 78 4XZ -0.14711 0.36594 0.15863 -0.07626 -0.04070 79 4YZ 0.03957 0.18777 0.08413 0.15045 -0.06892 80 8 C 1S -0.00013 -0.00263 -0.00345 0.00579 0.00039 81 2S 0.11737 0.10893 0.20783 0.31618 0.13607 82 2PX -0.05784 -0.21837 -0.00471 -0.01631 0.01612 83 2PY -0.07308 0.00693 -0.01002 -0.11363 -0.21797 84 2PZ 0.01377 0.05414 0.08242 0.00525 -0.01435 85 3S 0.27042 0.47981 -0.85928 -0.16271 0.05074 86 3PX -0.32194 0.42464 0.55343 0.05460 -0.10763 87 3PY -0.12714 0.40002 0.39933 0.35952 0.23092 88 3PZ 0.56390 -0.14118 -0.93281 -0.26944 0.14158 89 4XX -0.09352 -0.12250 -0.06525 -0.10472 0.35817 90 4YY 0.08765 0.03077 0.03753 -0.12114 -0.43300 91 4ZZ 0.06308 0.13771 -0.03964 0.21594 0.13675 92 4XY -0.06782 0.09567 0.02849 0.01455 -0.02740 93 4XZ 0.14715 0.36620 -0.15775 -0.07652 -0.04091 94 4YZ 0.03996 -0.18793 0.08408 -0.15032 0.06877 95 9 H 1S -0.10077 -0.03017 -0.15757 0.11874 -0.04978 96 2S 0.03326 -0.01653 -0.14298 0.11882 -0.03539 97 10 H 1S 0.10068 -0.03069 0.15724 0.11910 -0.04983 98 2S -0.03335 -0.01682 0.14274 0.11912 -0.03524 99 11 C 1S -0.00110 0.00141 -0.01906 0.01316 -0.00750 100 2S -0.28254 -0.11394 0.29325 -0.03637 -0.18239 101 2PX 0.10858 -0.05577 -0.18745 0.06070 0.01913 102 2PY 0.01491 0.06369 0.02677 -0.03835 0.05958 103 2PZ -0.04212 -0.01772 0.10361 -0.02961 -0.00701 104 3S 0.41178 0.30549 0.33088 -0.27497 0.28679 105 3PX -0.47189 -0.10168 0.56350 0.00320 -0.15035 106 3PY -0.23164 -0.07733 -0.01843 0.06355 -0.08666 107 3PZ -0.19396 0.08530 0.35635 -0.03606 0.13941 108 4XX 0.00107 -0.11616 0.02626 0.07226 0.02104 109 4YY -0.04605 0.12605 0.08944 0.02636 0.04527 110 4ZZ 0.07373 -0.01263 -0.14662 -0.06952 -0.07491 111 4XY 0.10753 -0.04956 -0.12026 -0.09340 -0.00907 112 4XZ -0.13502 -0.10810 0.22199 -0.12201 -0.09123 113 4YZ 0.04298 -0.10030 -0.22064 0.13370 0.02456 114 12 H 1S -0.07774 -0.02747 0.01502 0.12869 0.04170 115 2S -0.10556 -0.02572 0.16142 -0.00520 0.01926 116 13 H 1S 0.07547 0.12388 -0.18215 0.04281 0.00664 117 2S 0.14413 -0.06771 -0.17570 0.03219 0.00143 118 14 C 1S 0.00109 0.00135 0.01904 0.01321 -0.00752 119 2S 0.28259 -0.11340 -0.29332 -0.03692 -0.18267 120 2PX -0.10855 -0.05614 0.18720 0.06107 0.01920 121 2PY 0.01490 -0.06376 0.02664 0.03842 -0.05954 122 2PZ 0.04214 -0.01749 -0.10358 -0.02981 -0.00702 123 3S -0.41174 0.30657 -0.32990 -0.27592 0.28775 124 3PX 0.47189 -0.10071 -0.56351 0.00211 -0.15088 125 3PY -0.23156 0.07769 -0.01825 -0.06358 0.08679 126 3PZ 0.19389 0.08593 -0.35617 -0.03690 0.13934 127 4XX -0.00103 -0.11612 -0.02657 0.07215 0.02106 128 4YY 0.04593 0.12626 -0.08921 0.02625 0.04532 129 4ZZ -0.07365 -0.01295 0.14666 -0.06923 -0.07495 130 4XY 0.10743 0.04979 -0.12036 0.09316 0.00918 131 4XZ 0.13515 -0.10769 -0.22185 -0.12239 -0.09137 132 4YZ 0.04308 0.10083 -0.22025 -0.13419 -0.02459 133 15 H 1S 0.07766 -0.02748 -0.01533 0.12868 0.04165 134 2S 0.10556 -0.02539 -0.16146 -0.00554 0.01913 135 16 H 1S -0.07559 0.12355 0.18226 0.04320 0.00673 136 2S -0.14404 -0.06801 0.17547 0.03257 0.00145 137 17 H 1S 0.15521 -0.25932 -0.15202 -0.24679 0.08943 138 2S 0.16030 -0.21192 -0.30041 -0.08197 -0.01853 139 18 H 1S -0.15472 -0.25944 0.15209 -0.24646 0.08956 140 2S -0.16015 -0.21226 0.30025 -0.08133 -0.01817 141 19 O 1S -0.02357 -0.00459 0.00008 -0.00237 0.02093 142 2S 0.04047 0.48969 0.33193 0.23049 0.15482 143 2PX -0.22158 0.13712 -0.07803 -0.06076 -0.18403 144 2PY 0.16816 0.09222 0.17437 0.04781 0.01825 145 2PZ 0.10052 -0.13854 -0.00957 0.03937 0.00366 146 3S 0.44296 -0.92095 -0.90094 -0.42088 -0.64910 147 3PX 0.39427 -0.09971 -0.04995 0.16844 0.32922 148 3PY -0.06740 -0.19167 -0.29994 -0.08325 -0.22376 149 3PZ -0.17571 0.18683 0.09298 -0.13849 0.14595 150 4XX -0.02043 0.00882 0.06579 0.02147 -0.03522 151 4YY -0.08988 0.17718 -0.00836 0.08615 0.05417 152 4ZZ 0.07290 -0.00086 0.09463 -0.03873 0.08670 153 4XY 0.25564 0.04636 0.05287 0.08008 0.16888 154 4XZ 0.08358 0.17468 0.04001 0.09903 -0.10856 155 4YZ -0.06866 -0.01623 -0.04322 -0.16716 0.14115 156 20 O 1S 0.02358 -0.00459 -0.00010 -0.00235 0.02092 157 2S -0.04093 0.48995 -0.33180 0.22982 0.15420 158 2PX 0.22159 0.13706 0.07854 -0.06041 -0.18399 159 2PY 0.16827 -0.09232 0.17435 -0.04731 -0.01806 160 2PZ -0.10038 -0.13868 0.00925 0.03929 0.00361 161 3S -0.44208 -0.92191 0.90101 -0.41945 -0.64730 162 3PX -0.39442 -0.09978 0.04924 0.16816 0.32950 163 3PY -0.06762 0.19187 -0.30003 0.08258 0.22326 164 3PZ 0.17547 0.18717 -0.09246 -0.13848 0.14601 165 4XX 0.02043 0.00888 -0.06581 0.02132 -0.03530 166 4YY 0.08978 0.17723 0.00847 0.08624 0.05411 167 4ZZ -0.07290 -0.00080 -0.09463 -0.03895 0.08657 168 4XY 0.25582 -0.04645 0.05307 -0.07989 -0.16879 169 4XZ -0.08357 0.17482 -0.03985 0.09885 -0.10860 170 4YZ -0.06858 0.01623 -0.04351 0.16705 -0.14136 171 21 C 1S 0.00003 -0.03839 0.00002 -0.03343 -0.02132 172 2S 0.00002 -0.27255 -0.00009 -0.17268 0.06537 173 2PX -0.00007 0.05840 -0.00007 0.05637 0.11810 174 2PY -0.28697 0.00005 -0.18109 -0.00029 -0.00012 175 2PZ -0.00001 0.04166 0.00004 0.00967 -0.13651 176 3S -0.00061 1.26376 -0.00045 1.06777 0.80256 177 3PX 0.00011 0.21518 0.00010 0.16388 -0.28754 178 3PY 0.17168 0.00004 0.08604 0.00013 0.00006 179 3PZ 0.00024 -0.43209 -0.00056 0.27338 -0.56977 180 4XX 0.00006 0.11782 0.00025 -0.10914 0.06170 181 4YY 0.00014 -0.22005 0.00009 -0.20085 0.03692 182 4ZZ -0.00017 0.10121 -0.00040 0.36461 -0.07713 183 4XY 0.59536 -0.00010 0.32224 0.00054 0.00010 184 4XZ -0.00010 -0.01943 -0.00019 0.07379 0.43843 185 4YZ -0.23769 -0.00006 -0.14658 -0.00032 -0.00020 186 22 H 1S 0.00009 -0.13999 0.00038 -0.42756 0.21735 187 2S -0.00002 0.04224 0.00020 -0.14268 0.01801 188 23 H 1S 0.00022 -0.22424 0.00010 -0.12384 -0.51857 189 2S 0.00014 -0.19377 -0.00010 0.00259 -0.20145 146 147 148 149 150 V V V V V Eigenvalues -- 2.07782 2.09878 2.11355 2.18119 2.18368 1 1 C 1S 0.02663 0.00193 0.00623 0.01263 -0.00518 2 2S 0.33976 0.27190 0.33464 0.21536 -0.22641 3 2PX 0.00512 0.02688 0.01678 0.00054 0.01295 4 2PY 0.08341 0.04638 0.14018 0.00354 -0.03806 5 2PZ -0.04532 -0.14355 -0.03903 -0.06389 0.03985 6 3S -0.87038 -0.87537 -0.15092 -0.61078 -0.04393 7 3PX -0.17067 -0.03712 0.03073 -0.03773 0.03179 8 3PY -0.02474 -0.07571 -0.18890 -0.36697 0.16200 9 3PZ 0.54237 0.35402 0.12223 0.18148 -0.16548 10 4XX 0.23703 0.08388 0.23583 0.01537 -0.00672 11 4YY -0.02859 0.10285 -0.29336 0.02145 0.03596 12 4ZZ -0.17632 -0.13748 0.10156 -0.02587 -0.01717 13 4XY -0.00485 -0.06093 -0.03382 -0.08855 -0.07704 14 4XZ 0.20516 0.23135 -0.11734 0.01888 0.08781 15 4YZ -0.11654 -0.04094 -0.09904 -0.01488 0.15293 16 2 C 1S -0.01125 -0.02601 0.00400 0.00988 -0.00952 17 2S -0.18393 -0.37170 -0.02304 0.02760 -0.20592 18 2PX -0.08786 0.08545 -0.05788 -0.05912 0.05205 19 2PY 0.02341 0.05575 -0.03386 -0.01816 -0.04112 20 2PZ 0.17745 0.06317 0.09837 0.07643 -0.08064 21 3S 0.92377 1.45628 -0.02965 -0.20923 0.36624 22 3PX 0.21492 -0.33221 -0.21371 0.09931 -0.12220 23 3PY 0.52892 0.37034 -0.22143 -0.00091 0.18647 24 3PZ 0.11603 -0.31016 -0.10717 -0.15558 0.08741 25 4XX 0.35926 0.22484 -0.07085 0.01254 -0.09756 26 4YY -0.18782 -0.14089 0.13504 -0.02325 0.01651 27 4ZZ -0.09854 -0.00962 -0.08616 0.01773 0.09505 28 4XY 0.17901 -0.11078 -0.08078 0.05779 -0.13009 29 4XZ -0.04855 0.24317 -0.06872 0.04767 0.00477 30 4YZ 0.06539 -0.28378 -0.07441 -0.05157 -0.06166 31 3 C 1S -0.01119 0.02609 0.00401 -0.00979 -0.00962 32 2S -0.18311 0.37282 -0.02299 -0.02594 -0.20626 33 2PX -0.08808 -0.08540 -0.05791 0.05865 0.05255 34 2PY -0.02337 0.05576 0.03382 -0.01846 0.04099 35 2PZ 0.17736 -0.06347 0.09840 -0.07570 -0.08127 36 3S 0.92065 -1.46047 -0.02970 0.20626 0.36841 37 3PX 0.21577 0.33216 -0.21369 -0.09833 -0.12310 38 3PY -0.52817 0.37202 0.22151 0.00061 -0.18658 39 3PZ 0.11643 0.31022 -0.10726 0.15494 0.08862 40 4XX 0.35893 -0.22558 -0.07090 -0.01164 -0.09768 41 4YY -0.18766 0.14150 0.13508 0.02311 0.01675 42 4ZZ -0.09853 0.00958 -0.08615 -0.01856 0.09488 43 4XY -0.17912 -0.11053 0.08069 0.05664 0.13062 44 4XZ -0.04904 -0.24314 -0.06871 -0.04766 0.00439 45 4YZ -0.06596 -0.28361 0.07448 -0.05211 0.06122 46 4 C 1S 0.02663 -0.00200 0.00623 -0.01258 -0.00529 47 2S 0.33938 -0.27252 0.33474 -0.21325 -0.22828 48 2PX 0.00508 -0.02688 0.01681 -0.00066 0.01294 49 2PY -0.08332 0.04655 -0.14016 0.00314 0.03809 50 2PZ -0.04510 0.14360 -0.03910 0.06353 0.04041 51 3S -0.86905 0.87783 -0.15105 0.61088 -0.03863 52 3PX -0.17061 0.03740 0.03071 0.03748 0.03217 53 3PY 0.02473 -0.07557 0.18900 -0.36549 -0.16517 54 3PZ 0.54182 -0.35536 0.12231 -0.18002 -0.16703 55 4XX 0.23690 -0.08441 0.23583 -0.01522 -0.00683 56 4YY -0.02883 -0.10285 -0.29337 -0.02191 0.03586 57 4ZZ -0.17606 0.13794 0.10158 0.02609 -0.01704 58 4XY 0.00478 -0.06095 0.03400 -0.08923 0.07617 59 4XZ 0.20468 -0.23181 -0.11737 -0.01961 0.08770 60 4YZ 0.11653 -0.04106 0.09894 -0.01354 -0.15303 61 5 H 1S 0.05710 0.15330 -0.10687 0.02054 0.17821 62 2S -0.12343 -0.05396 -0.00378 -0.06350 0.03069 63 6 H 1S 0.05681 -0.15364 -0.10687 -0.02209 0.17803 64 2S -0.12339 0.05424 -0.00378 0.06322 0.03123 65 7 C 1S 0.00580 0.02893 0.00779 -0.02885 0.02931 66 2S 0.00988 0.76558 -0.02298 -0.46381 0.63860 67 2PX 0.09163 0.11823 -0.03412 0.15860 -0.04657 68 2PY -0.00978 -0.02276 -0.03314 0.03026 0.21284 69 2PZ -0.02803 0.09470 -0.00268 -0.19511 0.08522 70 3S -0.25246 -2.89416 -0.16506 1.89870 -0.65958 71 3PX -0.25264 0.02018 0.13995 -0.99708 0.25263 72 3PY 0.14555 -0.70135 0.10201 1.06290 -0.44243 73 3PZ 0.13664 -1.03949 -0.05203 1.16889 -0.53967 74 4XX 0.00932 -0.16337 0.00836 0.06147 0.16262 75 4YY 0.01782 -0.00225 0.04621 -0.00231 -0.24324 76 4ZZ -0.03184 0.03707 -0.02886 -0.09753 0.08420 77 4XY 0.06312 0.14637 0.05361 -0.18481 0.08332 78 4XZ -0.01783 -0.17475 0.13936 -0.42055 0.14693 79 4YZ -0.10721 0.08400 0.01974 -0.15766 0.10818 80 8 C 1S 0.00574 -0.02897 0.00777 0.02860 0.02957 81 2S 0.00828 -0.76574 -0.02325 0.45840 0.64265 82 2PX 0.09146 -0.11854 -0.03407 -0.15818 -0.04792 83 2PY 0.00977 -0.02297 0.03314 0.03201 -0.21257 84 2PZ -0.02826 -0.09460 -0.00275 0.19438 0.08684 85 3S -0.24636 2.89591 -0.16407 -1.89322 -0.67642 86 3PX -0.25307 -0.01953 0.13964 0.99509 0.26117 87 3PY -0.14722 -0.70068 -0.10246 1.05937 0.45181 88 3PZ 0.13908 1.03946 -0.05165 -1.16407 -0.54989 89 4XX 0.00967 0.16382 0.00841 -0.06296 0.16209 90 4YY 0.01773 0.00170 0.04620 0.00444 -0.24318 91 4ZZ -0.03187 -0.03687 -0.02891 0.09686 0.08500 92 4XY -0.06286 0.14653 -0.05354 -0.18415 -0.08491 93 4XZ -0.01761 0.17510 0.13922 0.41928 0.15051 94 4YZ 0.10738 0.08400 -0.01969 -0.15678 -0.10959 95 9 H 1S 0.11455 -0.05373 -0.14768 -0.02695 0.01507 96 2S 0.15991 0.08811 -0.08747 -0.03791 0.01513 97 10 H 1S 0.11458 0.05353 -0.14763 0.02680 0.01534 98 2S 0.15972 -0.08840 -0.08747 0.03776 0.01548 99 11 C 1S 0.02148 -0.01307 -0.00923 0.01407 0.00387 100 2S -0.34271 -0.04282 -0.06420 0.29289 0.12741 101 2PX 0.08344 -0.04474 -0.00267 -0.05934 -0.01228 102 2PY 0.08852 -0.04311 0.01190 -0.01009 -0.03256 103 2PZ -0.11460 0.02521 0.03433 0.01127 0.00203 104 3S -0.23030 0.72884 0.22044 -0.72297 -0.16600 105 3PX -0.28124 -0.20101 0.15606 0.30207 0.02050 106 3PY -0.19534 -0.09832 -0.03558 0.25760 0.09128 107 3PZ -0.14605 0.12935 0.42361 -0.00397 -0.19054 108 4XX -0.08162 0.03369 0.28308 -0.01250 -0.23835 109 4YY 0.25276 0.07643 -0.02927 0.03506 -0.02194 110 4ZZ -0.09759 -0.12688 -0.28097 -0.05527 0.25395 111 4XY -0.27482 -0.19838 0.16395 -0.08676 -0.06646 112 4XZ -0.16657 -0.11198 -0.19493 0.05816 0.09833 113 4YZ -0.15369 -0.08838 0.29406 -0.08318 -0.05584 114 12 H 1S -0.03995 0.01023 0.38504 0.04901 -0.18748 115 2S -0.01020 -0.01249 0.04938 0.05451 -0.01465 116 13 H 1S 0.31303 0.06317 -0.25206 0.03042 0.12840 117 2S 0.07917 -0.08007 -0.08663 -0.07617 0.01714 118 14 C 1S 0.02152 0.01302 -0.00923 -0.01410 0.00374 119 2S -0.34238 0.04319 -0.06419 -0.29405 0.12484 120 2PX 0.08350 0.04453 -0.00268 0.05946 -0.01178 121 2PY -0.08857 -0.04304 -0.01189 -0.01037 0.03247 122 2PZ -0.11465 -0.02500 0.03433 -0.01129 0.00194 123 3S -0.23238 -0.72747 0.22048 0.72443 -0.15963 124 3PX -0.28061 0.20114 0.15604 -0.30227 0.01792 125 3PY 0.19492 -0.09858 0.03548 0.25833 -0.08910 126 3PZ -0.14624 -0.12887 0.42369 0.00578 -0.19051 127 4XX -0.08180 -0.03357 0.28318 0.01466 -0.23823 128 4YY 0.25270 -0.07687 -0.02922 -0.03483 -0.02224 129 4ZZ -0.09733 0.12702 -0.28111 0.05295 0.25443 130 4XY 0.27440 -0.19877 -0.16377 -0.08733 0.06568 131 4XZ -0.16635 0.11202 -0.19482 -0.05914 0.09780 132 4YZ 0.15363 -0.08859 -0.29404 -0.08378 0.05511 133 15 H 1S -0.03991 -0.01023 0.38505 -0.04726 -0.18790 134 2S -0.01010 0.01249 0.04939 -0.05439 -0.01516 135 16 H 1S 0.31293 -0.06358 -0.25207 -0.03156 0.12812 136 2S 0.07926 0.07985 -0.08665 0.07600 0.01776 137 17 H 1S 0.16220 0.01979 0.03473 -0.15602 -0.06369 138 2S 0.11933 0.14062 0.01708 -0.48978 -0.22623 139 18 H 1S 0.16209 -0.01999 0.03470 0.15651 -0.06233 140 2S 0.11888 -0.14112 0.01695 0.49172 -0.22195 141 19 O 1S 0.00550 -0.00815 0.00315 0.02030 0.01579 142 2S -0.23161 -0.33174 -0.12538 -0.13903 -0.13071 143 2PX -0.02415 -0.08180 0.09791 -0.11857 0.04644 144 2PY -0.04994 -0.03848 -0.07322 -0.09798 -0.11820 145 2PZ 0.01671 -0.01085 -0.01540 0.13611 -0.04500 146 3S 0.32740 1.10139 0.16948 -0.59972 0.03317 147 3PX -0.00372 0.45928 -0.07995 -0.11548 0.23664 148 3PY 0.07826 0.17792 0.05974 -0.03148 0.03123 149 3PZ -0.03390 -0.04621 -0.07418 -0.14765 -0.00059 150 4XX 0.09910 -0.04748 0.09350 0.17975 0.19036 151 4YY -0.07677 -0.12066 -0.02467 -0.04090 -0.01818 152 4ZZ -0.07084 0.02986 -0.08819 -0.13016 -0.15152 153 4XY -0.06347 0.01724 -0.07980 -0.13617 0.01689 154 4XZ 0.01982 0.05387 0.03830 -0.16360 0.15375 155 4YZ -0.03493 0.11047 -0.03168 -0.27224 -0.04439 156 20 O 1S 0.00551 0.00817 0.00315 -0.02044 0.01561 157 2S -0.23087 0.33269 -0.12529 0.13993 -0.12951 158 2PX -0.02407 0.08176 0.09782 0.11825 0.04740 159 2PY 0.04982 -0.03865 0.07318 -0.09888 0.11730 160 2PZ 0.01679 0.01074 -0.01531 -0.13576 -0.04612 161 3S 0.32484 -1.10358 0.16913 0.59990 0.03856 162 3PX -0.00459 -0.45922 -0.07995 0.11340 0.23772 163 3PY -0.07779 0.17844 -0.05964 -0.03141 -0.03149 164 3PZ -0.03383 0.04668 -0.07428 0.14759 0.00064 165 4XX 0.09921 0.04726 0.09357 -0.18145 0.18886 166 4YY -0.07656 0.12093 -0.02468 0.04109 -0.01786 167 4ZZ -0.07084 -0.02957 -0.08821 0.13143 -0.15041 168 4XY 0.06348 0.01700 0.07978 -0.13603 -0.01810 169 4XZ 0.01969 -0.05394 0.03829 0.16220 0.15520 170 4YZ 0.03521 0.11033 0.03185 -0.27270 0.04213 171 21 C 1S 0.01867 -0.00004 0.00406 0.00013 -0.03081 172 2S 0.03159 0.00000 -0.22081 0.00177 -0.43018 173 2PX -0.05183 0.00014 -0.08212 -0.00003 0.00023 174 2PY 0.00007 0.03415 0.00003 0.05469 0.00023 175 2PZ 0.01730 -0.00007 0.03871 -0.00001 0.00803 176 3S -0.51459 0.00108 0.03353 -0.00473 1.07750 177 3PX 0.07718 -0.00021 0.42134 -0.00271 0.65764 178 3PY -0.00012 -0.09441 -0.00003 0.02364 0.00012 179 3PZ 0.25713 -0.00073 0.06381 0.00182 -0.43051 180 4XX -0.00232 0.00008 0.11653 -0.00155 0.36768 181 4YY 0.11655 -0.00019 0.18321 -0.00102 0.27650 182 4ZZ -0.11511 0.00010 -0.30180 0.00257 -0.64639 183 4XY -0.00003 0.02013 -0.00004 -0.21537 -0.00096 184 4XZ -0.14222 0.00035 -0.25578 0.00073 -0.20912 185 4YZ 0.00030 0.23809 0.00020 -0.44904 -0.00175 186 22 H 1S 0.04580 0.00008 0.11331 -0.00127 0.31254 187 2S -0.04621 0.00010 -0.02941 0.00011 -0.02102 188 23 H 1S 0.22790 -0.00053 0.24615 -0.00010 0.05377 189 2S 0.11563 -0.00028 0.09597 0.00027 -0.06365 151 152 153 154 155 V V V V V Eigenvalues -- 2.23786 2.26190 2.27827 2.27963 2.31628 1 1 C 1S 0.00647 -0.00847 -0.00424 -0.02784 0.00784 2 2S 0.14713 -0.39008 0.04923 -0.38709 0.16096 3 2PX -0.02352 -0.01843 0.03627 -0.07385 0.01281 4 2PY 0.03846 -0.09394 0.00200 0.07261 -0.00550 5 2PZ 0.03574 0.09675 -0.04379 0.05676 0.06064 6 3S -1.50157 0.42931 0.05915 2.98715 -1.41616 7 3PX -0.45533 -0.09575 0.01961 0.60617 0.09643 8 3PY -0.53554 0.04485 -0.07125 1.03371 -0.66567 9 3PZ 0.43741 -0.26796 0.04926 -1.62229 0.77808 10 4XX -0.25719 -0.27243 0.05596 -0.15012 0.08143 11 4YY -0.02042 0.19189 -0.01884 0.07054 -0.03679 12 4ZZ 0.20396 0.09439 -0.04965 0.11161 -0.12929 13 4XY -0.19429 0.04923 -0.06129 -0.39468 0.33609 14 4XZ 0.20475 0.14882 -0.11348 -0.06636 -0.35808 15 4YZ -0.02503 0.02056 0.03427 -0.03785 0.18226 16 2 C 1S -0.00555 0.00532 0.00966 0.03399 -0.00909 17 2S -0.41109 0.13893 -0.07447 0.39085 -0.43266 18 2PX -0.01150 0.03074 -0.00408 -0.00372 0.00152 19 2PY -0.10837 -0.00045 -0.03923 0.01198 -0.07792 20 2PZ 0.01851 -0.06475 -0.00239 -0.10896 0.08116 21 3S 1.18031 -0.46695 -0.08738 -2.70782 1.25821 22 3PX 0.48254 0.32912 -0.09220 -0.41664 -0.13445 23 3PY 0.98399 0.22502 0.01391 -1.54148 0.74919 24 3PZ 0.20253 0.05048 -0.01232 -0.05322 -0.20869 25 4XX 0.17416 0.21915 0.03600 -0.36102 0.08213 26 4YY -0.23224 -0.31176 0.10479 0.07220 -0.01475 27 4ZZ 0.10866 0.07257 -0.10149 0.20776 0.01120 28 4XY 0.24435 0.18426 -0.12510 -0.10228 -0.24255 29 4XZ 0.04081 0.04996 -0.06667 0.00039 -0.11260 30 4YZ 0.18055 0.17610 -0.04725 -0.05652 0.06946 31 3 C 1S 0.00555 0.00536 0.00961 -0.03401 0.00912 32 2S 0.41123 0.13931 -0.07503 -0.39062 0.43279 33 2PX 0.01150 0.03071 -0.00408 0.00370 -0.00154 34 2PY -0.10839 0.00045 0.03920 0.01187 -0.07791 35 2PZ -0.01853 -0.06482 -0.00214 0.10895 -0.08124 36 3S -1.18058 -0.46904 -0.08282 2.70791 -1.25916 37 3PX -0.48268 0.32904 -0.09168 0.41737 0.13402 38 3PY 0.98400 -0.22394 -0.01631 -1.54159 0.74957 39 3PZ -0.20228 0.05044 -0.01234 0.05292 0.20881 40 4XX -0.17420 0.21903 0.03659 0.36111 -0.08144 41 4YY 0.23221 -0.31171 0.10483 -0.07260 0.01468 42 4ZZ -0.10862 0.07261 -0.10194 -0.20756 -0.01180 43 4XY 0.24419 -0.18412 0.12500 -0.10254 -0.24207 44 4XZ -0.04080 0.04998 -0.06667 -0.00023 0.11211 45 4YZ 0.18056 -0.17611 0.04728 -0.05670 0.06933 46 4 C 1S -0.00647 -0.00848 -0.00418 0.02784 -0.00787 47 2S -0.14713 -0.39025 0.05000 0.38687 -0.16120 48 2PX 0.02349 -0.01848 0.03643 0.07374 -0.01270 49 2PY 0.03848 0.09388 -0.00182 0.07266 -0.00527 50 2PZ -0.03572 0.09677 -0.04395 -0.05662 -0.06064 51 3S 1.50164 0.43114 0.05395 -2.98715 1.41683 52 3PX 0.45543 -0.09544 0.01865 -0.60647 -0.09604 53 3PY -0.53533 -0.04537 0.07303 1.03312 -0.66559 54 3PZ -0.43756 -0.26895 0.05231 1.62240 -0.77848 55 4XX 0.25720 -0.27251 0.05634 0.15005 -0.08159 56 4YY 0.02038 0.19193 -0.01892 -0.07054 0.03716 57 4ZZ -0.20395 0.09445 -0.04997 -0.11152 0.12897 58 4XY -0.19421 -0.04912 0.06048 -0.39481 0.33629 59 4XZ -0.20479 0.14882 -0.11345 0.06661 0.35752 60 4YZ -0.02498 -0.02047 -0.03434 -0.03777 0.18227 61 5 H 1S 0.02367 -0.00360 -0.00496 0.13782 -0.13552 62 2S -0.16850 0.03387 -0.04958 0.46583 -0.18521 63 6 H 1S -0.02372 -0.00351 -0.00526 -0.13781 0.13549 64 2S 0.16852 0.03412 -0.05041 -0.46575 0.18526 65 7 C 1S -0.01493 0.00355 0.01776 -0.01602 0.00403 66 2S -0.27137 0.31998 0.13368 -0.31317 -0.15412 67 2PX 0.02211 -0.03469 0.07139 0.03326 0.05165 68 2PY 0.03732 0.14685 0.10729 0.01068 -0.00859 69 2PZ -0.05497 0.06938 -0.01737 -0.03503 -0.07481 70 3S 0.87006 -0.06876 -0.33614 1.37874 0.27145 71 3PX -0.17260 0.29379 0.21270 -0.07809 -0.39899 72 3PY 0.17972 -0.40685 -0.11581 0.43326 0.34131 73 3PZ 0.28369 -0.23862 -0.05227 0.47103 0.22032 74 4XX 0.07179 0.00558 -0.28108 0.07883 0.09095 75 4YY 0.03119 -0.19681 -0.10335 0.01283 -0.01276 76 4ZZ -0.09164 0.16700 0.42959 -0.05216 -0.04907 77 4XY 0.17031 -0.08298 -0.13922 0.15398 0.14727 78 4XZ -0.19331 0.05482 0.02414 0.02644 -0.22284 79 4YZ 0.09577 0.03705 -0.00809 0.13044 0.07109 80 8 C 1S 0.01492 0.00352 0.01779 0.01599 -0.00404 81 2S 0.27123 0.31963 0.13419 0.31301 0.15419 82 2PX -0.02214 -0.03463 0.07134 -0.03342 -0.05161 83 2PY 0.03736 -0.14688 -0.10724 0.01084 -0.00857 84 2PZ 0.05496 0.06928 -0.01738 0.03508 0.07483 85 3S -0.86970 -0.06706 -0.33842 -1.37817 -0.27136 86 3PX 0.17245 0.29360 0.21263 0.07779 0.39883 87 3PY 0.17977 0.40632 0.11632 0.43328 0.34131 88 3PZ -0.28347 -0.23784 -0.05293 -0.47091 -0.22014 89 4XX -0.07169 0.00558 -0.28117 -0.07834 -0.09091 90 4YY -0.03120 -0.19679 -0.10341 -0.01274 0.01272 91 4ZZ 0.09152 0.16698 0.42968 0.05147 0.04901 92 4XY 0.17019 0.08291 0.13968 0.15376 0.14716 93 4XZ 0.19332 0.05477 0.02407 -0.02648 0.22284 94 4YZ 0.09574 -0.03718 0.00829 0.13039 0.07109 95 9 H 1S -0.20469 0.25658 -0.03101 0.10131 -0.07094 96 2S -0.22811 0.13053 0.00982 0.32824 -0.13294 97 10 H 1S 0.20472 0.25661 -0.03107 -0.10110 0.07100 98 2S 0.22812 0.13073 0.00932 -0.32816 0.13281 99 11 C 1S -0.02874 0.01043 -0.00119 0.03966 0.00488 100 2S -0.20241 0.03189 -0.03581 0.26142 -0.17685 101 2PX -0.04027 0.03760 -0.00632 0.06891 -0.02007 102 2PY 0.01779 -0.02676 0.00379 0.02154 0.08018 103 2PZ 0.05583 0.02812 -0.00778 -0.06287 0.00308 104 3S 1.56490 -0.13158 0.09343 -2.23710 0.71275 105 3PX 0.03482 0.09366 -0.07245 0.37539 -0.17353 106 3PY -0.42498 0.03959 0.02326 0.42894 0.10866 107 3PZ 0.23639 -0.12545 0.01090 -0.52996 -0.13397 108 4XX -0.11335 0.39903 -0.11336 0.26734 0.01984 109 4YY 0.04736 0.01878 -0.00763 -0.08575 -0.17162 110 4ZZ 0.08161 -0.38823 0.13314 -0.18348 0.23215 111 4XY 0.19819 0.12570 -0.07621 -0.24096 -0.15653 112 4XZ 0.18556 0.08546 -0.06154 0.08956 0.19390 113 4YZ 0.20775 0.03086 -0.02828 -0.28735 -0.10476 114 12 H 1S -0.06416 0.21034 -0.07472 0.05463 -0.27873 115 2S -0.03950 -0.12934 -0.01723 0.00632 -0.07745 116 13 H 1S -0.21143 -0.23766 0.09540 0.07615 -0.00341 117 2S -0.02524 0.05146 0.00422 0.05059 -0.07164 118 14 C 1S 0.02874 0.01046 -0.00125 -0.03965 -0.00490 119 2S 0.20237 0.03215 -0.03607 -0.26137 0.17696 120 2PX 0.04028 0.03764 -0.00645 -0.06888 0.02004 121 2PY 0.01781 0.02677 -0.00374 0.02153 0.08026 122 2PZ -0.05583 0.02810 -0.00768 0.06289 -0.00304 123 3S -1.56479 -0.13325 0.09655 2.23681 -0.71239 124 3PX -0.03479 0.09393 -0.07312 -0.37530 0.17315 125 3PY -0.42493 -0.03977 -0.02279 0.42878 0.10859 126 3PZ -0.23646 -0.12576 0.01170 0.52995 0.13398 127 4XX 0.11338 0.39922 -0.11391 -0.26677 -0.01953 128 4YY -0.04736 0.01873 -0.00744 0.08579 0.17127 129 4ZZ -0.08164 -0.38840 0.13347 0.18290 -0.23217 130 4XY 0.19826 -0.12551 0.07583 -0.24125 -0.15648 131 4XZ -0.18560 0.08553 -0.06178 -0.08938 -0.19400 132 4YZ 0.20776 -0.03063 0.02778 -0.28749 -0.10450 133 15 H 1S 0.06416 0.21045 -0.07480 -0.05436 0.27856 134 2S 0.03950 -0.12929 -0.01721 -0.00636 0.07742 135 16 H 1S 0.21141 -0.23760 0.09540 -0.07648 0.00343 136 2S 0.02525 0.05154 0.00413 -0.05058 0.07179 137 17 H 1S 0.04528 -0.13389 -0.09980 0.01124 -0.03290 138 2S -0.06043 -0.12911 0.02301 -0.07242 -0.17649 139 18 H 1S -0.04526 -0.13389 -0.09987 -0.01112 0.03295 140 2S 0.06046 -0.12930 0.02301 0.07236 0.17652 141 19 O 1S 0.01239 0.00446 -0.00622 0.00403 0.01623 142 2S -0.03724 -0.00506 -0.18324 0.11891 -0.13102 143 2PX -0.06423 0.03365 0.06777 0.03174 -0.09277 144 2PY -0.05312 -0.03852 -0.05787 -0.02379 -0.06828 145 2PZ 0.02210 -0.04165 -0.02277 0.01169 0.02141 146 3S -0.28098 -0.04677 0.43697 -0.47496 -0.11623 147 3PX -0.01130 0.09513 0.00109 -0.18756 0.12798 148 3PY 0.01957 0.01255 0.15682 -0.03109 0.01868 149 3PZ 0.11917 0.05798 -0.08966 0.06452 0.08303 150 4XX -0.02296 -0.11764 -0.39510 -0.04674 0.02094 151 4YY 0.06196 -0.00241 -0.03030 0.08235 0.00984 152 4ZZ -0.02283 0.12547 0.36610 -0.01402 -0.00331 153 4XY 0.08469 0.00369 -0.07820 0.07092 0.08449 154 4XZ -0.15842 -0.00858 -0.30372 -0.16296 -0.12821 155 4YZ 0.12157 0.04247 0.14727 0.05255 0.12215 156 20 O 1S -0.01238 0.00447 -0.00623 -0.00402 -0.01623 157 2S 0.03744 -0.00499 -0.18346 -0.11857 0.13111 158 2PX 0.06419 0.03362 0.06769 -0.03185 0.09277 159 2PY -0.05315 0.03853 0.05781 -0.02387 -0.06828 160 2PZ -0.02210 -0.04160 -0.02274 -0.01166 -0.02141 161 3S 0.28052 -0.04723 0.43780 0.47412 0.11593 162 3PX 0.01123 0.09494 0.00144 0.18762 -0.12800 163 3PY 0.01968 -0.01250 -0.15682 -0.03077 0.01880 164 3PZ -0.11909 0.05797 -0.08990 -0.06437 -0.08302 165 4XX 0.02309 -0.11766 -0.39491 0.04741 -0.02085 166 4YY -0.06196 -0.00234 -0.03044 -0.08231 -0.00990 167 4ZZ 0.02274 0.12547 0.36603 0.01340 0.00329 168 4XY 0.08460 -0.00368 0.07845 0.07074 0.08446 169 4XZ 0.15854 -0.00872 -0.30342 0.16355 0.12831 170 4YZ 0.12165 -0.04243 -0.14720 0.05282 0.12229 171 21 C 1S 0.00000 -0.02077 0.00185 -0.00001 0.00000 172 2S 0.00008 -0.16560 -0.25859 0.00019 0.00006 173 2PX 0.00002 0.04645 -0.09841 0.00010 0.00003 174 2PY 0.01194 -0.00001 -0.00002 -0.00290 0.00331 175 2PZ -0.00002 0.00930 0.03890 -0.00004 -0.00002 176 3S 0.00001 0.59087 0.04641 0.00012 0.00003 177 3PX -0.00007 0.13822 0.11327 -0.00006 0.00001 178 3PY -0.02063 0.00002 0.00002 0.01963 -0.07510 179 3PZ 0.00008 -0.51378 -0.29876 0.00023 0.00005 180 4XX 0.00002 0.09899 -0.16226 0.00016 0.00008 181 4YY -0.00012 0.13431 0.16166 -0.00015 -0.00005 182 4ZZ 0.00010 -0.25363 0.02297 -0.00004 -0.00003 183 4XY 0.06876 0.00000 0.00006 0.02983 0.01249 184 4XZ 0.00014 -0.12302 -0.41553 0.00038 0.00011 185 4YZ 0.30609 0.00006 0.00030 0.18072 0.26794 186 22 H 1S -0.00003 0.17703 -0.00027 0.00002 0.00004 187 2S -0.00004 0.09335 0.15855 -0.00016 -0.00005 188 23 H 1S -0.00009 -0.03558 0.21421 -0.00021 -0.00006 189 2S 0.00003 -0.19363 -0.14050 0.00011 0.00004 156 157 158 159 160 V V V V V Eigenvalues -- 2.31862 2.37240 2.41459 2.44861 2.45989 1 1 C 1S -0.01388 -0.00046 0.02120 0.02174 0.01321 2 2S -0.19102 -0.19491 0.13237 0.14302 0.00299 3 2PX 0.07008 -0.00137 0.01412 0.00983 -0.00457 4 2PY -0.14392 0.04806 -0.14068 -0.00515 -0.02416 5 2PZ 0.01727 0.09986 -0.10351 -0.01290 0.03379 6 3S 0.38219 0.42345 -0.31396 -0.75903 -0.57064 7 3PX 0.16628 -0.00423 -0.11284 -0.10191 -0.02948 8 3PY 0.07942 -0.10498 -0.32848 0.11462 0.19343 9 3PZ -0.14850 -0.45768 0.21086 0.39489 0.18537 10 4XX -0.03205 -0.06881 0.25882 0.15997 0.10659 11 4YY 0.23288 -0.08417 -0.17465 0.11135 0.09014 12 4ZZ -0.25338 0.11749 -0.06496 -0.27129 -0.18647 13 4XY -0.19085 0.00259 -0.39753 -0.04991 -0.07069 14 4XZ -0.35897 0.21534 -0.13250 0.15077 0.12153 15 4YZ 0.02003 0.24319 -0.27188 0.06915 0.05075 16 2 C 1S 0.00691 0.00116 0.04137 -0.04632 -0.04079 17 2S 0.04043 0.08548 0.23432 -0.11329 -0.13572 18 2PX -0.00234 0.03656 -0.17541 0.06172 0.05381 19 2PY 0.02374 -0.01552 0.00070 0.06383 0.04925 20 2PZ -0.04319 -0.06769 0.20425 -0.03151 -0.03701 21 3S -0.34696 -0.97710 -1.35299 1.44853 1.20266 22 3PX -0.18383 -0.13992 -0.40486 0.23083 0.07850 23 3PY -0.20311 -0.25291 -0.54531 0.40124 0.31067 24 3PZ -0.08004 0.16980 0.13624 0.04466 0.04128 25 4XX 0.38336 0.01988 0.23001 -0.20330 -0.10565 26 4YY -0.00964 -0.27814 0.03612 0.38122 0.18547 27 4ZZ -0.37495 0.17810 -0.21983 -0.20006 -0.10041 28 4XY -0.31062 -0.12087 -0.19708 0.27589 0.14371 29 4XZ -0.27644 0.12371 0.06753 -0.25989 -0.20466 30 4YZ 0.11984 0.24560 0.02865 0.03966 0.02794 31 3 C 1S 0.00690 -0.00115 -0.04136 -0.04635 -0.04081 32 2S 0.03979 -0.08543 -0.23428 -0.11386 -0.13596 33 2PX -0.00235 -0.03654 0.17537 0.06182 0.05385 34 2PY -0.02362 -0.01553 0.00079 -0.06370 -0.04918 35 2PZ -0.04305 0.06769 -0.20423 -0.03160 -0.03704 36 3S -0.34491 0.97680 1.35257 1.45043 1.20329 37 3PX -0.18411 0.14002 0.40496 0.23121 0.07860 38 3PY 0.20184 -0.25272 -0.54508 -0.40227 -0.31097 39 3PZ -0.08021 -0.16990 -0.13641 0.04445 0.04108 40 4XX 0.38338 -0.01987 -0.22985 -0.20331 -0.10568 41 4YY -0.00951 0.27796 -0.03632 0.38119 0.18542 42 4ZZ -0.37499 -0.17793 0.21989 -0.19995 -0.10034 43 4XY 0.31117 -0.12092 -0.19702 -0.27610 -0.14385 44 4XZ -0.27655 -0.12372 -0.06753 -0.26008 -0.20471 45 4YZ -0.11994 0.24572 0.02857 -0.03954 -0.02795 46 4 C 1S -0.01386 0.00046 -0.02121 0.02172 0.01321 47 2S -0.19074 0.19486 -0.13241 0.14279 0.00278 48 2PX 0.07008 0.00135 -0.01409 0.00981 -0.00460 49 2PY 0.14396 0.04809 -0.14072 0.00509 0.02416 50 2PZ 0.01739 -0.09985 0.10349 -0.01278 0.03387 51 3S 0.37968 -0.42325 0.31421 -0.75916 -0.57044 52 3PX 0.16636 0.00426 0.11293 -0.10199 -0.02942 53 3PY -0.07825 -0.10508 -0.32835 -0.11486 -0.19361 54 3PZ -0.14714 0.45753 -0.21102 0.39497 0.18508 55 4XX -0.03198 0.06874 -0.25871 0.15980 0.10653 56 4YY 0.23287 0.08406 0.17459 0.11150 0.09016 57 4ZZ -0.25358 -0.11731 0.06492 -0.27125 -0.18639 58 4XY 0.19035 0.00261 -0.39767 0.04983 0.07072 59 4XZ -0.35949 -0.21538 0.13240 0.15070 0.12163 60 4YZ -0.02024 0.24320 -0.27178 -0.06904 -0.05064 61 5 H 1S -0.00735 0.15588 -0.08271 0.16566 0.16408 62 2S 0.03385 -0.02834 -0.13019 -0.09795 -0.01906 63 6 H 1S -0.00758 -0.15590 0.08264 0.16559 0.16412 64 2S 0.03351 0.02837 0.13021 -0.09791 -0.01898 65 7 C 1S 0.00091 0.00843 -0.00474 0.00022 0.01217 66 2S 0.03941 0.36730 0.19124 -0.20339 0.12931 67 2PX 0.01664 -0.01830 -0.02789 -0.02974 -0.03581 68 2PY -0.00415 -0.02381 -0.00946 -0.04390 0.06321 69 2PZ -0.00462 0.07999 0.06930 -0.02473 0.00166 70 3S -0.05910 -1.19227 -0.22171 0.17276 -0.29143 71 3PX -0.05244 0.19466 0.02663 0.07207 0.09016 72 3PY 0.00537 -0.59566 -0.14943 0.01960 -0.03992 73 3PZ -0.04704 -0.35996 -0.08306 0.10424 -0.26568 74 4XX 0.03398 -0.12214 -0.08442 -0.14936 0.21449 75 4YY 0.02148 -0.01838 0.00075 0.06694 -0.04104 76 4ZZ -0.07689 0.06560 0.03471 0.15152 -0.17586 77 4XY 0.03644 -0.06423 -0.01421 -0.02648 0.02758 78 4XZ 0.00130 0.09719 0.02493 -0.08347 0.13325 79 4YZ 0.02110 0.01508 0.01857 -0.00587 0.03231 80 8 C 1S 0.00092 -0.00843 0.00473 0.00022 0.01217 81 2S 0.03913 -0.36736 -0.19122 -0.20334 0.12963 82 2PX 0.01670 0.01829 0.02790 -0.02981 -0.03591 83 2PY 0.00415 -0.02381 -0.00945 0.04390 -0.06331 84 2PZ -0.00472 -0.08001 -0.06929 -0.02469 0.00172 85 3S -0.05879 1.19235 0.22171 0.17223 -0.29142 86 3PX -0.05286 -0.19460 -0.02664 0.07254 0.08991 87 3PY -0.00566 -0.59569 -0.14945 -0.01938 0.03974 88 3PZ -0.04691 0.35973 0.08302 0.10364 -0.26591 89 4XX 0.03413 0.12223 0.08447 -0.14939 0.21453 90 4YY 0.02150 0.01838 -0.00079 0.06696 -0.04089 91 4ZZ -0.07697 -0.06567 -0.03475 0.15151 -0.17613 92 4XY -0.03671 -0.06420 -0.01420 0.02645 -0.02727 93 4XZ 0.00098 -0.09712 -0.02491 -0.08348 0.13328 94 4YZ -0.02119 0.01510 0.01860 0.00580 -0.03200 95 9 H 1S 0.03974 -0.18851 -0.01141 -0.30302 -0.18039 96 2S -0.08636 0.06082 0.08225 0.13076 0.07499 97 10 H 1S 0.03962 0.18853 0.01151 -0.30301 -0.18036 98 2S -0.08659 -0.06084 -0.08229 0.13052 0.07490 99 11 C 1S -0.00989 0.04396 0.06536 0.02768 0.01966 100 2S 0.11082 0.18044 0.40584 0.12484 0.14314 101 2PX -0.00159 0.00909 0.05072 0.04281 0.03777 102 2PY -0.06542 0.06959 0.10563 -0.02618 -0.04187 103 2PZ 0.01188 -0.04646 -0.02773 -0.07777 -0.05030 104 3S 0.08808 -1.42344 -2.42147 -0.74879 -0.59049 105 3PX -0.12437 0.47687 0.45726 0.37616 0.28629 106 3PY 0.04167 0.52466 0.55151 -0.08833 -0.04068 107 3PZ -0.02794 -0.39703 -0.84780 -0.25935 -0.22579 108 4XX 0.18745 0.02674 -0.01777 0.04481 0.05097 109 4YY -0.19276 -0.18659 -0.25463 0.11331 0.04786 110 4ZZ -0.03999 0.19247 0.30049 -0.14121 -0.10800 111 4XY 0.00192 -0.41658 0.17619 0.07129 0.07438 112 4XZ -0.02203 0.23393 0.40877 0.33665 0.26527 113 4YZ -0.13185 0.15114 -0.11112 -0.03596 -0.03375 114 12 H 1S -0.05963 -0.05058 -0.15294 0.04298 0.02703 115 2S -0.01985 -0.04193 -0.03882 0.00950 0.00219 116 13 H 1S -0.03993 0.10063 0.04593 -0.08648 -0.07784 117 2S 0.09420 -0.14570 0.05677 -0.04105 -0.01091 118 14 C 1S -0.00989 -0.04396 -0.06537 0.02762 0.01964 119 2S 0.11052 -0.18042 -0.40585 0.12428 0.14302 120 2PX -0.00162 -0.00914 -0.05076 0.04279 0.03774 121 2PY 0.06528 0.06957 0.10561 0.02625 0.04191 122 2PZ 0.01191 0.04649 0.02777 -0.07772 -0.05028 123 3S 0.08922 1.42347 2.42163 -0.74575 -0.58965 124 3PX -0.12470 -0.47701 -0.45751 0.37537 0.28604 125 3PY -0.04180 0.52448 0.55122 0.08934 0.04100 126 3PZ -0.02825 0.39715 0.84795 -0.25874 -0.22564 127 4XX 0.18747 -0.02660 0.01771 0.04475 0.05083 128 4YY -0.19308 0.18637 0.25469 0.11341 0.04788 129 4ZZ -0.03956 -0.19240 -0.30050 -0.14123 -0.10787 130 4XY -0.00167 -0.41659 0.17622 -0.07144 -0.07434 131 4XZ -0.02174 -0.23407 -0.40879 0.33646 0.26517 132 4YZ 0.13190 0.15115 -0.11111 0.03628 0.03400 133 15 H 1S -0.06006 0.05056 0.15293 0.04281 0.02688 134 2S -0.02002 0.04195 0.03882 0.00954 0.00222 135 16 H 1S -0.03995 -0.10059 -0.04590 -0.08655 -0.07774 136 2S 0.09416 0.14566 -0.05676 -0.04097 -0.01094 137 17 H 1S 0.00807 0.04333 0.02866 -0.08305 0.05804 138 2S -0.01563 0.13923 0.05028 0.04996 -0.09745 139 18 H 1S 0.00808 -0.04331 -0.02862 -0.08293 0.05790 140 2S -0.01575 -0.13932 -0.05029 0.05013 -0.09744 141 19 O 1S -0.00188 -0.00997 -0.00039 -0.00027 -0.00141 142 2S 0.00647 0.05960 0.09273 -0.04561 -0.07394 143 2PX 0.00136 0.06186 0.03362 0.03636 -0.04355 144 2PY -0.00526 0.02893 0.01157 -0.01816 0.00047 145 2PZ 0.00467 -0.01782 -0.01646 0.01278 -0.04427 146 3S 0.01019 0.20622 -0.11754 0.07757 0.24147 147 3PX 0.01068 -0.02370 -0.06049 -0.19569 0.30208 148 3PY 0.00902 0.02845 -0.04088 0.07122 0.04092 149 3PZ -0.01468 -0.07308 0.01738 -0.08146 0.13217 150 4XX 0.08097 0.01597 -0.01835 -0.08851 0.09023 151 4YY -0.00841 -0.03689 -0.02051 -0.00543 0.05420 152 4ZZ -0.08896 -0.00545 0.04702 0.09333 -0.14428 153 4XY 0.02151 -0.07590 -0.02414 -0.19271 0.25660 154 4XZ 0.04388 0.15709 0.10820 -0.00684 -0.00249 155 4YZ -0.06615 -0.12427 -0.02260 -0.22337 0.34944 156 20 O 1S -0.00186 0.00997 0.00039 -0.00028 -0.00141 157 2S 0.00625 -0.05963 -0.09274 -0.04567 -0.07378 158 2PX 0.00123 -0.06186 -0.03364 0.03638 -0.04352 159 2PY 0.00538 0.02892 0.01156 0.01815 -0.00053 160 2PZ 0.00469 0.01781 0.01646 0.01279 -0.04431 161 3S 0.01014 -0.20607 0.11756 0.07802 0.24129 162 3PX 0.01087 0.02374 0.06053 -0.19560 0.30206 163 3PY -0.00912 0.02838 -0.04086 -0.07125 -0.04077 164 3PZ -0.01450 0.07312 -0.01737 -0.08154 0.13228 165 4XX 0.08093 -0.01591 0.01837 -0.08854 0.09026 166 4YY -0.00839 0.03695 0.02053 -0.00551 0.05427 167 4ZZ -0.08893 0.00531 -0.04705 0.09341 -0.14439 168 4XY -0.02172 -0.07592 -0.02412 0.19270 -0.25656 169 4XZ 0.04366 -0.15710 -0.10820 -0.00676 -0.00243 170 4YZ 0.06593 -0.12431 -0.02262 0.22335 -0.34956 171 21 C 1S -0.00062 0.00000 0.00000 0.01083 -0.00767 172 2S 0.01202 0.00000 0.00002 -0.07475 -0.05411 173 2PX 0.00225 0.00000 0.00001 -0.07594 0.00542 174 2PY 0.00000 -0.00345 -0.03746 0.00000 0.00001 175 2PZ -0.00924 0.00001 0.00000 0.01254 0.00981 176 3S -0.01700 -0.00006 0.00000 -0.27365 0.26630 177 3PX 0.04734 -0.00002 -0.00002 0.04692 -0.01689 178 3PY 0.00004 0.00974 -0.00780 -0.00001 0.00001 179 3PZ 0.09373 -0.00002 -0.00001 0.08557 -0.16247 180 4XX 0.06682 -0.00003 -0.00002 0.29367 -0.46639 181 4YY -0.00058 0.00004 0.00000 -0.02655 0.07570 182 4ZZ -0.05737 -0.00001 0.00001 -0.24220 0.40570 183 4XY -0.00004 -0.08090 -0.05165 -0.00003 0.00001 184 4XZ 0.08201 -0.00002 -0.00001 0.31880 -0.50193 185 4YZ -0.00027 -0.23666 -0.05643 0.00004 -0.00007 186 22 H 1S 0.02413 -0.00001 -0.00001 0.21039 -0.31985 187 2S -0.04654 0.00002 0.00001 -0.07608 0.17232 188 23 H 1S -0.02865 0.00002 0.00001 -0.16027 0.26483 189 2S 0.06640 -0.00001 -0.00001 0.15925 -0.19516 161 162 163 164 165 V V V V V Eigenvalues -- 2.46406 2.48232 2.51089 2.55038 2.59076 1 1 C 1S 0.00592 0.01126 -0.03358 0.00078 0.00613 2 2S 0.26032 0.07234 -0.50552 -0.00696 -0.26911 3 2PX 0.02308 -0.02238 -0.01189 -0.00401 0.01091 4 2PY -0.00801 -0.03005 0.09931 -0.01654 0.04625 5 2PZ -0.08630 -0.00345 0.19660 -0.02256 0.13507 6 3S -0.18426 -0.25016 -0.15539 0.34850 -0.00048 7 3PX 0.04583 0.14523 -0.34448 0.04156 -0.09636 8 3PY 0.07715 0.15924 0.42982 -0.09081 0.02890 9 3PZ 0.23406 0.03391 0.35091 -0.25940 0.00325 10 4XX 0.09195 0.09083 -0.25620 0.02144 0.06741 11 4YY 0.00073 -0.03997 0.15251 -0.02367 0.00979 12 4ZZ -0.15088 -0.04486 0.15479 0.01757 0.00469 13 4XY 0.06423 -0.00813 -0.02022 0.01090 0.00515 14 4XZ -0.02380 0.05538 -0.14270 0.05769 0.03972 15 4YZ 0.08442 -0.01283 -0.04077 -0.05355 -0.09436 16 2 C 1S 0.02521 -0.01468 -0.05077 0.00064 -0.01786 17 2S 0.37477 -0.05332 -1.35976 0.30877 -0.07736 18 2PX -0.05372 -0.00864 0.04886 0.04026 0.01669 19 2PY 0.08966 0.03650 -0.26534 0.08174 0.01843 20 2PZ -0.00635 0.03262 -0.05703 -0.01844 0.04299 21 3S -0.92647 0.29080 3.36020 -0.33366 0.42545 22 3PX -0.05917 -0.22958 0.14461 0.10547 0.00023 23 3PY -0.57358 -0.21060 1.97254 -0.28011 0.26040 24 3PZ 0.38460 0.01443 0.07928 -0.27492 -0.01277 25 4XX 0.05134 0.00695 0.02777 -0.05671 -0.01802 26 4YY -0.01552 -0.01965 0.02891 0.02554 -0.16643 27 4ZZ -0.06293 0.00066 0.22473 -0.06597 0.19172 28 4XY -0.15031 -0.02468 -0.04521 0.11440 -0.04491 29 4XZ 0.03780 0.03446 -0.07092 -0.01856 -0.11935 30 4YZ -0.02558 0.00003 -0.02010 -0.01541 0.05937 31 3 C 1S -0.02518 0.01468 0.05078 -0.00063 -0.01786 32 2S -0.37466 0.05322 1.35986 -0.30877 -0.07758 33 2PX 0.05365 0.00867 -0.04874 -0.04029 0.01668 34 2PY 0.08972 0.03651 -0.26533 0.08174 -0.01836 35 2PZ 0.00637 -0.03263 0.05689 0.01844 0.04298 36 3S 0.92552 -0.29059 -3.36068 0.33351 0.42574 37 3PX 0.05911 0.22956 -0.14479 -0.10537 0.00030 38 3PY -0.57326 -0.21060 1.97263 -0.28014 -0.26074 39 3PZ -0.38470 -0.01436 -0.07893 0.27473 -0.01278 40 4XX -0.05114 -0.00697 -0.02789 0.05666 -0.01805 41 4YY 0.01527 0.01975 -0.02868 -0.02546 -0.16638 42 4ZZ 0.06299 -0.00071 -0.22484 0.06596 0.19176 43 4XY -0.15017 -0.02465 -0.04538 0.11438 0.04498 44 4XZ -0.03763 -0.03449 0.07089 0.01863 -0.11930 45 4YZ -0.02558 0.00007 -0.01996 -0.01538 -0.05951 46 4 C 1S -0.00593 -0.01126 0.03357 -0.00078 0.00612 47 2S -0.26035 -0.07229 0.50545 0.00702 -0.26928 48 2PX -0.02308 0.02239 0.01187 0.00401 0.01092 49 2PY -0.00804 -0.03004 0.09945 -0.01655 -0.04627 50 2PZ 0.08628 0.00342 -0.19664 0.02251 0.13510 51 3S 0.18468 0.24996 0.15567 -0.34837 -0.00036 52 3PX -0.04580 -0.14524 0.34439 -0.04153 -0.09647 53 3PY 0.07732 0.15916 0.42993 -0.09078 -0.02896 54 3PZ -0.23421 -0.03383 -0.35102 0.25937 0.00321 55 4XX -0.09207 -0.09080 0.25613 -0.02146 0.06739 56 4YY -0.00081 0.03997 -0.15244 0.02367 0.00972 57 4ZZ 0.15107 0.04482 -0.15478 -0.01755 0.00480 58 4XY 0.06416 -0.00812 -0.02012 0.01089 -0.00511 59 4XZ 0.02369 -0.05537 0.14275 -0.05769 0.03971 60 4YZ 0.08441 -0.01288 -0.04085 -0.05357 0.09437 61 5 H 1S 0.04747 0.08430 -0.14947 -0.00692 -0.03565 62 2S -0.05824 0.05789 -0.00380 0.04984 -0.00682 63 6 H 1S -0.04759 -0.08424 0.14953 0.00690 -0.03568 64 2S 0.05827 -0.05789 0.00384 -0.04986 -0.00684 65 7 C 1S -0.00211 -0.01725 0.04820 0.00495 0.03522 66 2S -0.31557 0.27788 0.86465 -0.23742 0.02484 67 2PX 0.08217 -0.05412 -0.10796 -0.02431 0.21287 68 2PY -0.04990 0.15666 -0.11610 -0.15370 0.14403 69 2PZ -0.07612 0.03823 0.18667 0.02763 -0.07887 70 3S 0.49809 0.67277 -3.60500 -0.15490 -0.72486 71 3PX 0.00163 -0.79709 0.36929 0.77049 0.38390 72 3PY -0.06812 0.67736 -1.45902 -0.33650 -0.20831 73 3PZ 0.48472 0.09164 -1.56836 -0.42274 -0.54787 74 4XX 0.04141 0.38387 -0.05025 0.24745 -0.08911 75 4YY -0.08105 0.23529 -0.13768 -0.23381 0.08978 76 4ZZ 0.10145 -0.66166 0.03993 0.00373 0.04280 77 4XY 0.24095 -0.17471 -0.00355 0.43038 0.05003 78 4XZ 0.05381 0.05142 -0.13009 0.07099 0.38289 79 4YZ 0.27269 0.03697 0.05439 0.38532 -0.02211 80 8 C 1S 0.00210 0.01724 -0.04821 -0.00495 0.03523 81 2S 0.31558 -0.27781 -0.86479 0.23738 0.02506 82 2PX -0.08217 0.05406 0.10802 0.02431 0.21280 83 2PY -0.04988 0.15666 -0.11605 -0.15364 -0.14396 84 2PZ 0.07612 -0.03815 -0.18672 -0.02768 -0.07881 85 3S -0.49802 -0.67269 3.60529 0.15497 -0.72551 86 3PX -0.00170 0.79719 -0.36920 -0.77068 0.38397 87 3PY -0.06807 0.67748 -1.45935 -0.33666 0.20876 88 3PZ -0.48465 -0.09155 1.56808 0.42281 -0.54811 89 4XX -0.04147 -0.38381 0.05025 -0.24751 -0.08915 90 4YY 0.08091 -0.23533 0.13767 0.23368 0.08967 91 4ZZ -0.10132 0.66162 -0.03992 -0.00352 0.04290 92 4XY 0.24097 -0.17471 -0.00358 0.43039 -0.05005 93 4XZ -0.05384 -0.05147 0.13023 -0.07097 0.38282 94 4YZ 0.27277 0.03668 0.05450 0.38543 0.02218 95 9 H 1S -0.03250 0.07606 -0.08008 0.04842 0.08550 96 2S 0.14737 0.08456 -0.41568 0.09960 0.05679 97 10 H 1S 0.03268 -0.07612 0.07996 -0.04843 0.08547 98 2S -0.14743 -0.08458 0.41578 -0.09960 0.05667 99 11 C 1S 0.03941 0.01903 -0.05938 -0.02279 0.01116 100 2S 0.22532 0.12018 -0.62875 -0.30953 0.06242 101 2PX 0.03932 -0.02031 -0.08236 0.08461 0.02797 102 2PY 0.04876 0.02431 0.01855 -0.03704 -0.04629 103 2PZ -0.01621 -0.00560 0.04557 0.00684 -0.02314 104 3S -1.61715 -0.64665 3.58785 0.85198 -0.27495 105 3PX 0.67867 0.25502 -0.36145 -0.79634 0.14047 106 3PY 0.41759 0.32986 -0.95398 -0.26350 0.01712 107 3PZ -0.00550 -0.00429 0.90858 -0.27142 -0.08398 108 4XX 0.49433 0.11692 0.24203 -0.31486 -0.01620 109 4YY -0.14922 -0.08593 0.00059 0.11123 -0.01317 110 4ZZ -0.33127 -0.01922 -0.14417 0.26082 0.04192 111 4XY 0.18558 -0.02835 0.21205 -0.05986 0.06263 112 4XZ 0.11222 0.01624 0.02125 -0.13495 0.05706 113 4YZ 0.37738 0.05250 -0.18155 -0.13088 -0.01918 114 12 H 1S 0.45614 0.09718 -0.08276 -0.31384 0.00654 115 2S -0.06301 -0.04384 0.06268 -0.05507 -0.01007 116 13 H 1S -0.33632 -0.05018 -0.39294 0.27366 -0.02142 117 2S 0.01503 -0.07695 -0.07877 0.18952 -0.00030 118 14 C 1S -0.03943 -0.01903 0.05939 0.02279 0.01115 119 2S -0.22542 -0.12014 0.62879 0.30944 0.06239 120 2PX -0.03937 0.02030 0.08234 -0.08458 0.02795 121 2PY 0.04873 0.02432 0.01857 -0.03708 0.04632 122 2PZ 0.01627 0.00561 -0.04557 -0.00686 -0.02313 123 3S 1.61774 0.64663 -3.58792 -0.85193 -0.27452 124 3PX -0.67899 -0.25503 0.36178 0.79629 0.14050 125 3PY 0.41731 0.32976 -0.95371 -0.26331 -0.01686 126 3PZ 0.00575 0.00433 -0.90884 0.27142 -0.08389 127 4XX -0.49441 -0.11695 -0.24214 0.31488 -0.01618 128 4YY 0.14912 0.08592 -0.00038 -0.11121 -0.01316 129 4ZZ 0.33144 0.01926 0.14405 -0.26084 0.04187 130 4XY 0.18544 -0.02841 0.21199 -0.05971 -0.06267 131 4XZ -0.11255 -0.01624 -0.02109 0.13501 0.05708 132 4YZ 0.37729 0.05250 -0.18157 -0.13083 0.01923 133 15 H 1S -0.45615 -0.09720 0.08276 0.31383 0.00654 134 2S 0.06298 0.04383 -0.06272 0.05509 -0.01004 135 16 H 1S 0.33635 0.05018 0.39293 -0.27364 -0.02146 136 2S -0.01504 0.07692 0.07874 -0.18948 -0.00031 137 17 H 1S 0.06759 -0.22017 0.12526 0.21412 0.04132 138 2S -0.04537 -0.13782 0.45804 0.20326 -0.21089 139 18 H 1S -0.06758 0.22011 -0.12523 -0.21410 0.04135 140 2S 0.04542 0.13778 -0.45809 -0.20321 -0.21079 141 19 O 1S 0.00432 0.00645 -0.00307 0.00866 -0.05992 142 2S -0.05240 0.12602 -0.01332 -0.09585 -0.88799 143 2PX -0.00546 -0.01810 0.02183 -0.00400 0.02162 144 2PY -0.04876 0.04545 0.02105 -0.04004 -0.08841 145 2PZ 0.00584 -0.07364 -0.00268 0.02448 -0.01893 146 3S -0.14278 -0.46283 0.69233 0.28289 2.91875 147 3PX -0.07744 0.06043 0.31774 0.14786 0.12641 148 3PY 0.11246 -0.20597 -0.01291 0.04837 1.22964 149 3PZ -0.02301 0.34438 -0.10275 -0.12668 -0.15617 150 4XX 0.08714 0.43090 0.12613 0.24978 -0.20938 151 4YY 0.04329 -0.03492 -0.15330 -0.01671 0.38897 152 4ZZ -0.11161 -0.33001 -0.01617 -0.20988 -0.45730 153 4XY 0.01618 -0.01555 -0.06780 0.04717 -0.07643 154 4XZ -0.03079 0.14818 0.32946 0.17590 -0.29701 155 4YZ -0.16176 0.30296 -0.06326 -0.16872 -0.11697 156 20 O 1S -0.00431 -0.00645 0.00306 -0.00866 -0.05992 157 2S 0.05252 -0.12595 0.01317 0.09597 -0.88786 158 2PX 0.00548 0.01809 -0.02181 0.00402 0.02163 159 2PY -0.04876 0.04543 0.02107 -0.04004 0.08840 160 2PZ -0.00582 0.07363 0.00268 -0.02448 -0.01890 161 3S 0.14237 0.46264 -0.69188 -0.28332 2.91854 162 3PX 0.07734 -0.06030 -0.31782 -0.14796 0.12645 163 3PY 0.11262 -0.20584 -0.01314 0.04851 -1.22946 164 3PZ 0.02296 -0.34435 0.10271 0.12664 -0.15644 165 4XX -0.08714 -0.43091 -0.12615 -0.24976 -0.20943 166 4YY -0.04329 0.03486 0.15340 0.01671 0.38885 167 4ZZ 0.11165 0.33010 0.01604 0.20989 -0.45715 168 4XY 0.01624 -0.01568 -0.06765 0.04726 0.07647 169 4XZ 0.03084 -0.14814 -0.32951 -0.17587 -0.29688 170 4YZ -0.16163 0.30277 -0.06311 -0.16866 0.11716 171 21 C 1S 0.00000 -0.00001 0.00001 0.00000 0.06993 172 2S 0.00004 0.00001 -0.00002 0.00005 -0.52144 173 2PX 0.00004 0.00003 -0.00005 0.00004 -0.55439 174 2PY 0.03669 0.03961 -0.07815 -0.03365 0.00004 175 2PZ -0.00001 0.00000 0.00003 -0.00001 0.23172 176 3S 0.00011 0.00019 -0.00028 0.00007 -2.02851 177 3PX 0.00006 0.00002 -0.00009 0.00007 -0.79008 178 3PY 0.01456 0.01451 -0.18209 -0.15532 -0.00003 179 3PZ 0.00003 -0.00004 -0.00002 0.00002 0.12642 180 4XX 0.00013 -0.00013 0.00002 0.00009 -0.23353 181 4YY 0.00004 0.00005 0.00003 0.00004 0.04861 182 4ZZ -0.00018 0.00006 -0.00003 -0.00013 0.36125 183 4XY -0.08029 0.03106 -0.23883 -0.26927 -0.00006 184 4XZ 0.00010 -0.00011 0.00008 0.00002 0.43924 185 4YZ -0.14737 0.03225 -0.17274 -0.22902 -0.00004 186 22 H 1S 0.00009 -0.00007 0.00005 0.00004 0.09869 187 2S -0.00006 0.00002 0.00003 -0.00004 0.16894 188 23 H 1S -0.00006 0.00006 -0.00002 -0.00002 -0.05132 189 2S 0.00004 -0.00007 0.00002 0.00003 0.09249 166 167 168 169 170 V V V V V Eigenvalues -- 2.63365 2.64875 2.67413 2.69191 2.70152 1 1 C 1S 0.03413 -0.09824 -0.01674 -0.02484 0.03176 2 2S 0.01162 -0.30059 -0.03267 0.09102 -0.02886 3 2PX -0.05895 0.02226 0.02890 0.07517 -0.00741 4 2PY 0.28023 0.22322 -0.07152 -0.04759 -0.25999 5 2PZ 0.31087 -0.14282 -0.04401 -0.24032 -0.02433 6 3S -0.97686 5.02831 0.68596 1.02056 -0.61785 7 3PX -0.11733 0.58133 0.31124 0.10574 0.14355 8 3PY 0.03701 1.51082 -0.19743 -0.40683 -0.46436 9 3PZ 0.54174 -1.79931 -0.53084 -0.46978 -0.13114 10 4XX 0.27184 -0.60352 -0.01111 -0.11511 0.16649 11 4YY -0.12324 0.52903 -0.12857 -0.21176 -0.48014 12 4ZZ -0.17628 0.09109 0.07264 0.44488 0.32383 13 4XY 0.06320 0.11777 -0.26692 -0.07480 0.30695 14 4XZ -0.01303 -0.27532 -0.31292 -0.26526 0.09528 15 4YZ -0.38477 -0.21209 0.24034 0.16969 -0.00818 16 2 C 1S -0.05413 0.05194 0.02389 0.00078 0.03845 17 2S 0.04551 0.62920 0.08561 -0.04816 0.13452 18 2PX -0.00930 0.04058 0.03454 0.13812 -0.04854 19 2PY 0.15263 0.03799 -0.05982 -0.07916 -0.04817 20 2PZ 0.18913 -0.17894 -0.15327 -0.29828 0.10050 21 3S 1.38340 -3.38516 -1.14369 -0.30709 -0.97151 22 3PX 0.05247 -0.08659 -0.27452 0.47237 -0.25844 23 3PY 0.60160 -1.77723 -0.46351 -0.09657 -0.30617 24 3PZ 0.30097 -0.49069 -0.16018 -0.94193 0.14636 25 4XX -0.18381 0.23226 0.17969 0.30631 -0.17230 26 4YY -0.40614 -0.20136 -0.06949 -0.24812 0.04777 27 4ZZ 0.51754 -0.11923 -0.19355 -0.12402 0.13611 28 4XY -0.06495 -0.01226 -0.20371 0.24690 -0.02789 29 4XZ -0.49751 0.14836 -0.13578 -0.23651 0.36048 30 4YZ 0.21658 -0.23656 -0.02096 -0.64363 0.00362 31 3 C 1S -0.05412 -0.05194 -0.02389 0.00078 -0.03846 32 2S 0.04574 -0.62920 -0.08556 -0.04807 -0.13448 33 2PX -0.00928 -0.04059 -0.03460 0.13806 0.04854 34 2PY -0.15270 0.03794 -0.05991 0.07922 -0.04818 35 2PZ 0.18912 0.17892 0.15341 -0.29818 -0.10048 36 3S 1.38303 3.38509 1.14392 -0.30716 0.97181 37 3PX 0.05260 0.08701 0.27447 0.47245 0.25858 38 3PY -0.60155 -1.77724 -0.46360 0.09697 -0.30619 39 3PZ 0.30093 0.49025 0.16055 -0.94192 -0.14644 40 4XX -0.18391 -0.23224 -0.17977 0.30633 0.17226 41 4YY -0.40603 0.20144 0.06951 -0.24846 -0.04790 42 4ZZ 0.51745 0.11913 0.19363 -0.12368 -0.13597 43 4XY 0.06510 -0.01235 -0.20370 -0.24678 -0.02777 44 4XZ -0.49742 -0.14828 0.13580 -0.23657 -0.36065 45 4YZ -0.21694 -0.23653 -0.02129 0.64357 0.00355 46 4 C 1S 0.03416 0.09824 0.01675 -0.02484 -0.03176 47 2S 0.01177 0.30065 0.03266 0.09102 0.02886 48 2PX -0.05888 -0.02229 -0.02892 0.07514 0.00745 49 2PY -0.28022 0.22319 -0.07159 0.04764 -0.26006 50 2PZ 0.31078 0.14283 0.04413 -0.24032 0.02433 51 3S -0.97764 -5.02823 -0.68651 1.02074 0.61772 52 3PX -0.11731 -0.58158 -0.31126 0.10558 -0.14348 53 3PY -0.03673 1.51034 -0.19777 0.40680 -0.46439 54 3PZ 0.54191 1.79962 0.53108 -0.46968 0.13112 55 4XX 0.27200 0.60347 0.01129 -0.11519 -0.16655 56 4YY -0.12359 -0.52893 0.12847 -0.21163 0.48021 57 4ZZ -0.17612 -0.09116 -0.07279 0.44485 -0.32384 58 4XY -0.06310 0.11797 -0.26706 0.07468 0.30680 59 4XZ -0.01312 0.27536 0.31294 -0.26505 -0.09523 60 4YZ 0.38475 -0.21217 0.24058 -0.16977 -0.00791 61 5 H 1S -0.10219 -0.23670 0.04227 -0.12050 -0.05016 62 2S -0.06375 0.54344 0.05480 0.11276 0.04478 63 6 H 1S -0.10217 0.23669 -0.04223 -0.12056 0.05013 64 2S -0.06383 -0.54343 -0.05487 0.11279 -0.04479 65 7 C 1S -0.00055 -0.02800 -0.03238 -0.00367 -0.03665 66 2S -0.09752 -0.06959 0.02609 0.00389 -0.13771 67 2PX -0.07303 0.06511 -0.05220 -0.04973 0.04109 68 2PY -0.01539 0.16750 0.13823 -0.02811 0.24575 69 2PZ -0.02380 -0.00981 0.04918 0.04011 -0.03653 70 3S 0.17608 0.88784 1.13253 0.11536 1.35702 71 3PX -0.05864 0.31576 -0.02487 -0.06620 0.21490 72 3PY 0.01151 0.39832 0.47806 -0.00550 0.74080 73 3PZ 0.14007 -0.01778 0.06090 0.04140 0.13420 74 4XX 0.00115 -0.15796 -0.14296 0.01811 -0.28340 75 4YY 0.00506 0.30323 0.26161 -0.00717 0.47770 76 4ZZ 0.04353 -0.14339 -0.14214 0.01139 -0.14482 77 4XY -0.04982 -0.00768 0.01439 0.04384 0.04210 78 4XZ -0.12473 0.13188 -0.07357 -0.05762 0.03477 79 4YZ 0.03506 0.07098 0.13439 -0.03425 0.16974 80 8 C 1S -0.00057 0.02800 0.03238 -0.00366 0.03665 81 2S -0.09783 0.06955 -0.02613 0.00385 0.13767 82 2PX -0.07298 -0.06514 0.05220 -0.04975 -0.04108 83 2PY 0.01527 0.16749 0.13826 0.02818 0.24573 84 2PZ -0.02388 0.00984 -0.04916 0.04012 0.03657 85 3S 0.17706 -0.88777 -1.13250 0.11533 -1.35701 86 3PX -0.05844 -0.31575 0.02489 -0.06629 -0.21488 87 3PY -0.01194 0.39838 0.47808 0.00554 0.74086 88 3PZ 0.14033 0.01790 -0.06071 0.04152 -0.13399 89 4XX 0.00103 0.15794 0.14293 0.01821 0.28338 90 4YY 0.00529 -0.30327 -0.26165 -0.00734 -0.47776 91 4ZZ 0.04348 0.14344 0.14221 0.01146 0.14490 92 4XY 0.04986 -0.00762 0.01438 -0.04384 0.04213 93 4XZ -0.12461 -0.13191 0.07357 -0.05763 -0.03476 94 4YZ -0.03508 0.07082 0.13427 0.03428 0.16953 95 9 H 1S 0.21215 -0.07820 -0.05457 0.12658 0.00991 96 2S 0.01093 0.32952 0.18035 -0.07054 0.05804 97 10 H 1S 0.21215 0.07820 0.05453 0.12658 -0.00985 98 2S 0.01095 -0.32957 -0.18031 -0.07055 -0.05807 99 11 C 1S 0.02390 0.03327 -0.04117 0.03995 0.00897 100 2S -0.03243 0.11060 0.09433 -0.08822 -0.10477 101 2PX 0.09882 0.07554 0.02225 0.13930 0.11318 102 2PY -0.10495 0.03638 -0.20039 -0.05918 -0.08080 103 2PZ -0.10332 -0.06904 -0.00117 -0.13513 -0.07854 104 3S -0.42204 -1.90188 0.33782 -0.74403 -0.19286 105 3PX 0.21718 0.22258 0.09228 0.26654 0.00281 106 3PY 0.01082 0.55311 -0.58789 -0.23404 -0.51672 107 3PZ -0.14153 -0.36546 -0.32595 -0.26559 -0.41914 108 4XX -0.03599 -0.00310 -0.40770 -0.05017 -0.02423 109 4YY -0.03371 -0.12037 0.64044 0.13768 0.21829 110 4ZZ 0.14038 0.16693 -0.38156 -0.00653 -0.12920 111 4XY 0.17687 -0.07105 -0.09553 0.16356 0.20602 112 4XZ 0.16108 -0.00152 0.01969 0.31311 0.22979 113 4YZ -0.12556 0.05694 0.16682 -0.19234 -0.27276 114 12 H 1S -0.06008 0.00905 0.10635 -0.05581 -0.09902 115 2S 0.05515 0.06568 -0.07644 -0.01119 0.02805 116 13 H 1S -0.04861 0.11853 0.13749 -0.01473 -0.01267 117 2S -0.02626 0.00981 -0.01621 0.00721 0.16676 118 14 C 1S 0.02390 -0.03327 0.04115 0.03998 -0.00897 119 2S -0.03243 -0.11062 -0.09430 -0.08824 0.10477 120 2PX 0.09883 -0.07556 -0.02226 0.13930 -0.11313 121 2PY 0.10502 0.03634 -0.20041 0.05917 -0.08081 122 2PZ -0.10330 0.06904 0.00119 -0.13514 0.07848 123 3S -0.42214 1.90191 -0.33750 -0.74451 0.19270 124 3PX 0.21707 -0.22272 -0.09225 0.26655 -0.00261 125 3PY -0.01059 0.55300 -0.58808 0.23384 -0.51678 126 3PZ -0.14174 0.36558 0.32594 -0.26548 0.41900 127 4XX -0.03601 0.00314 0.40778 -0.04994 0.02416 128 4YY -0.03374 0.12032 -0.64061 0.13729 -0.21812 129 4ZZ 0.14042 -0.16693 0.38161 -0.00629 0.12911 130 4XY -0.17694 -0.07109 -0.09515 -0.16374 0.20608 131 4XZ 0.16103 0.00150 -0.01987 0.31306 -0.22961 132 4YZ 0.12557 0.05699 0.16652 0.19254 -0.27285 133 15 H 1S -0.06012 -0.00903 -0.10632 -0.05584 0.09901 134 2S 0.05514 -0.06568 0.07644 -0.01117 -0.02803 135 16 H 1S -0.04854 -0.11854 -0.13750 -0.01479 0.01265 136 2S -0.02616 -0.00983 0.01620 0.00723 -0.16677 137 17 H 1S -0.07156 0.06436 0.11100 0.00690 0.13243 138 2S 0.09428 0.03090 -0.02659 -0.02253 -0.14490 139 18 H 1S -0.07153 -0.06440 -0.11102 0.00686 -0.13247 140 2S 0.09418 -0.03092 0.02664 -0.02255 0.14491 141 19 O 1S 0.01343 -0.02872 -0.00077 0.00858 -0.01841 142 2S 0.22241 -0.12034 0.13257 0.02274 -0.17851 143 2PX -0.00284 0.04676 0.03851 -0.01589 0.03129 144 2PY 0.02110 0.02674 0.01905 0.00300 0.01288 145 2PZ -0.00242 0.00460 -0.01575 0.00280 -0.01092 146 3S -0.73459 0.60872 -0.29418 -0.16295 0.55976 147 3PX -0.03768 -0.14285 -0.14033 -0.05256 -0.18032 148 3PY -0.31304 0.21025 -0.11303 -0.03581 0.24490 149 3PZ 0.03279 -0.08072 0.06898 0.06906 -0.02534 150 4XX 0.07720 -0.03771 -0.00158 -0.03447 -0.04856 151 4YY -0.15851 0.09903 -0.00945 0.07962 0.15056 152 4ZZ 0.14238 -0.17437 0.00748 -0.00104 -0.11919 153 4XY 0.00329 -0.10303 -0.03275 -0.04737 -0.12652 154 4XZ 0.02793 -0.10521 0.07225 0.08319 -0.09629 155 4YZ 0.02024 -0.05600 -0.00450 0.02039 -0.04135 156 20 O 1S 0.01342 0.02872 0.00077 0.00859 0.01841 157 2S 0.22225 0.12044 -0.13257 0.02279 0.17857 158 2PX -0.00283 -0.04675 -0.03850 -0.01591 -0.03130 159 2PY -0.02110 0.02672 0.01906 -0.00301 0.01286 160 2PZ -0.00243 -0.00460 0.01575 0.00281 0.01091 161 3S -0.73417 -0.60901 0.29416 -0.16318 -0.55991 162 3PX -0.03780 0.14279 0.14031 -0.05253 0.18035 163 3PY 0.31280 0.21033 -0.11302 0.03590 0.24498 164 3PZ 0.03281 0.08074 -0.06900 0.06908 0.02538 165 4XX 0.07712 0.03775 0.00157 -0.03446 0.04860 166 4YY -0.15837 -0.09907 0.00945 0.07959 -0.15061 167 4ZZ 0.14230 0.17440 -0.00746 -0.00102 0.11923 168 4XY -0.00325 -0.10302 -0.03274 0.04734 -0.12656 169 4XZ 0.02777 0.10518 -0.07225 0.08324 0.09624 170 4YZ -0.02027 -0.05605 -0.00448 -0.02037 -0.04138 171 21 C 1S -0.01813 -0.00001 0.00000 0.00096 -0.00001 172 2S 0.09358 -0.00005 0.00000 0.00621 -0.00001 173 2PX 0.13568 0.00000 0.00000 -0.00716 0.00001 174 2PY -0.00008 0.20426 -0.03171 0.00003 0.25232 175 2PZ -0.06338 0.00002 0.00000 0.00812 0.00003 176 3S 0.55659 0.00015 -0.00003 0.01204 0.00011 177 3PX 0.27110 0.00010 0.00000 -0.04994 0.00004 178 3PY -0.00008 0.27724 0.03398 0.00004 0.31152 179 3PZ -0.05902 0.00006 0.00000 -0.00058 0.00002 180 4XX 0.13483 0.00003 0.00001 -0.04561 0.00001 181 4YY -0.07099 0.00003 0.00002 0.02729 0.00006 182 4ZZ -0.08711 -0.00007 -0.00002 -0.00996 -0.00008 183 4XY -0.00008 0.24083 -0.02572 0.00003 0.30095 184 4XZ -0.13228 0.00002 0.00001 0.02867 0.00004 185 4YZ 0.00003 -0.18601 -0.04124 -0.00001 -0.17869 186 22 H 1S -0.02426 0.00000 0.00001 0.00770 0.00002 187 2S -0.03186 -0.00003 0.00000 -0.01811 -0.00002 188 23 H 1S -0.00398 0.00000 0.00000 0.00061 -0.00001 189 2S 0.00094 0.00003 0.00000 -0.03055 0.00000 171 172 173 174 175 V V V V V Eigenvalues -- 2.75478 2.76755 2.80346 2.88870 2.89677 1 1 C 1S 0.04009 -0.00683 -0.00406 -0.00284 -0.00577 2 2S 0.23154 -0.07712 -0.23611 0.02892 0.00797 3 2PX -0.01062 0.01546 0.00219 0.01022 -0.00757 4 2PY 0.10297 -0.04754 -0.00631 -0.06863 -0.00438 5 2PZ 0.13177 -0.04104 0.08866 -0.06104 -0.01917 6 3S -2.98546 0.29221 -0.54940 0.35897 0.15236 7 3PX -0.51810 0.01643 -0.20614 0.09575 0.01405 8 3PY -0.56419 -0.02839 0.05722 -0.11461 -0.07256 9 3PZ 1.49655 -0.16279 0.28947 -0.31010 -0.06235 10 4XX 0.19136 -0.03664 0.04936 -0.01639 -0.01634 11 4YY 0.14179 0.00669 -0.04347 -0.10205 -0.02344 12 4ZZ -0.31680 0.07790 0.04158 0.10155 0.02980 13 4XY -0.17761 -0.01886 -0.14245 0.00255 -0.00837 14 4XZ 0.08873 -0.00784 -0.02217 -0.02962 0.00276 15 4YZ 0.04741 0.05941 0.03036 0.04505 0.02812 16 2 C 1S -0.06141 -0.00198 -0.03631 0.00855 -0.00699 17 2S -0.71467 -0.02006 -0.69345 0.23850 -0.03903 18 2PX 0.09115 0.01406 0.01626 0.00755 0.00011 19 2PY 0.00835 -0.02066 -0.09558 0.01191 -0.01434 20 2PZ 0.07776 -0.05726 -0.03390 -0.06637 -0.02075 21 3S 3.71141 -0.05265 1.82165 -0.73248 0.16898 22 3PX 0.30023 0.05128 -0.25783 0.09355 0.08885 23 3PY 1.68645 -0.06046 0.93196 -0.35431 0.08175 24 3PZ 0.04748 -0.21170 0.13382 -0.14008 -0.23481 25 4XX -0.04685 0.05627 0.13142 -0.00852 0.02636 26 4YY 0.18337 -0.01415 0.00449 -0.03839 -0.02689 27 4ZZ 0.07069 -0.06629 0.01645 -0.06548 -0.01387 28 4XY 0.15337 0.04111 -0.13475 0.04466 0.03959 29 4XZ -0.37431 0.02769 -0.04930 0.01287 -0.01007 30 4YZ 0.12633 -0.08854 0.02993 -0.09314 -0.06183 31 3 C 1S 0.06141 -0.00201 0.03632 -0.00858 -0.00695 32 2S 0.71473 -0.02027 0.69346 -0.23867 -0.03805 33 2PX -0.09116 0.01408 -0.01621 -0.00756 0.00013 34 2PY 0.00832 0.02065 -0.09559 0.01196 0.01432 35 2PZ -0.07775 -0.05720 0.03394 0.06627 -0.02105 36 3S -3.71133 -0.05110 -1.82176 0.73319 0.16594 37 3PX -0.30054 0.05155 0.25770 -0.09309 0.08939 38 3PY 1.68635 0.05977 0.93193 -0.35470 -0.08032 39 3PZ -0.04704 -0.21174 -0.13347 0.13890 -0.23556 40 4XX 0.04673 0.05624 -0.13148 0.00864 0.02634 41 4YY -0.18330 -0.01412 -0.00452 0.03830 -0.02708 42 4ZZ -0.07063 -0.06620 -0.01634 0.06537 -0.01413 43 4XY 0.15333 -0.04123 -0.13475 0.04447 -0.03981 44 4XZ 0.37425 0.02750 0.04920 -0.01285 -0.01005 45 4YZ 0.12632 0.08848 0.02986 -0.09286 0.06225 46 4 C 1S -0.04009 -0.00682 0.00407 0.00281 -0.00578 47 2S -0.23157 -0.07703 0.23607 -0.02888 0.00810 48 2PX 0.01058 0.01544 -0.00220 -0.01024 -0.00753 49 2PY 0.10298 0.04745 -0.00633 -0.06862 0.00471 50 2PZ -0.13171 -0.04096 -0.08859 0.06093 -0.01944 51 3S 2.98536 0.29115 0.54925 -0.35820 0.15369 52 3PX 0.51816 0.01614 0.20609 -0.09566 0.01442 53 3PY -0.56380 0.02862 0.05731 -0.11434 0.07332 54 3PZ -1.49666 -0.16216 -0.28938 0.30977 -0.06371 55 4XX -0.19129 -0.03661 -0.04928 0.01631 -0.01641 56 4YY -0.14185 0.00689 0.04343 0.10192 -0.02392 57 4ZZ 0.31678 0.07769 -0.04163 -0.10137 0.03026 58 4XY -0.17761 0.01889 -0.14248 0.00256 0.00837 59 4XZ -0.08871 -0.00774 0.02215 0.02961 0.00266 60 4YZ 0.04730 -0.05940 0.03045 0.04497 -0.02838 61 5 H 1S 0.10427 0.00498 0.00491 -0.00118 -0.00085 62 2S -0.36882 0.02769 -0.07092 0.05306 0.00954 63 6 H 1S -0.10426 0.00500 -0.00492 0.00117 -0.00084 64 2S 0.36881 0.02752 0.07090 -0.05302 0.00974 65 7 C 1S -0.01739 0.02572 0.10053 -0.00370 0.02891 66 2S 0.00419 -0.06320 0.63334 -0.20488 -0.20167 67 2PX -0.02883 0.22951 0.24527 -0.13208 0.32623 68 2PY 0.27683 0.17632 -0.24855 -0.23369 0.09528 69 2PZ -0.02604 -0.18634 -0.01824 0.07508 -0.23205 70 3S 0.62712 -0.64846 -5.68931 0.65208 -0.96300 71 3PX 0.14729 0.23311 0.84050 -0.12233 0.41124 72 3PY 0.66028 0.15119 -2.19772 0.18202 0.30189 73 3PZ -0.16867 -0.24501 -1.97504 0.39331 -0.33927 74 4XX -0.38269 0.02212 0.14740 0.16348 -0.23977 75 4YY 0.60764 -0.04228 -0.44175 -0.44532 0.21298 76 4ZZ -0.10281 0.01671 0.14846 0.30431 -0.04933 77 4XY 0.04843 -0.21663 0.03089 -0.44390 -0.14475 78 4XZ -0.09801 0.22502 0.35902 -0.18965 0.38451 79 4YZ 0.21488 0.23307 -0.20339 0.54181 0.09432 80 8 C 1S 0.01740 0.02570 -0.10054 0.00383 0.02890 81 2S -0.00430 -0.06331 -0.63343 0.20399 -0.20255 82 2PX 0.02902 0.22945 -0.24531 0.13354 0.32563 83 2PY 0.27675 -0.17645 -0.24854 -0.23410 -0.09421 84 2PZ 0.02599 -0.18637 0.01818 -0.07619 -0.23171 85 3S -0.62736 -0.64734 5.68968 -0.65642 -0.96022 86 3PX -0.14721 0.23330 -0.84052 0.12415 0.41078 87 3PY 0.66009 -0.15183 -2.19808 0.18076 -0.30254 88 3PZ 0.16885 -0.24498 1.97457 -0.39479 -0.33765 89 4XX 0.38268 0.02179 -0.14736 -0.16459 -0.23908 90 4YY -0.60773 -0.04179 0.44184 0.44604 0.21111 91 4ZZ 0.10292 0.01665 -0.14856 -0.30427 -0.04801 92 4XY 0.04852 0.21663 0.03098 -0.44327 0.14656 93 4XZ 0.09815 0.22496 -0.35900 0.19125 0.38370 94 4YZ 0.21451 -0.23326 -0.20313 0.54158 -0.09664 95 9 H 1S 0.12088 -0.01525 -0.00919 -0.01745 0.00374 96 2S -0.40307 -0.00144 -0.13129 0.08984 0.03030 97 10 H 1S -0.12091 -0.01521 0.00923 0.01747 0.00365 98 2S 0.40309 -0.00168 0.13135 -0.08970 0.03062 99 11 C 1S -0.04107 0.00381 -0.02653 0.00789 0.00897 100 2S -0.30563 0.06489 -0.18187 0.03314 0.08215 101 2PX -0.09182 -0.00980 -0.04023 0.02267 -0.00203 102 2PY 0.10020 -0.00975 -0.03299 0.01448 -0.02573 103 2PZ 0.12907 -0.00324 0.02936 -0.00382 -0.01684 104 3S 2.30929 -0.15675 1.41872 -0.41578 -0.29634 105 3PX -0.86208 0.11226 -0.16081 -0.05251 0.17946 106 3PY -0.06850 -0.03090 -0.48416 0.12863 -0.02570 107 3PZ 0.59037 -0.04393 0.19846 -0.06244 -0.06533 108 4XX 0.10758 -0.00547 -0.06038 0.00154 -0.02327 109 4YY -0.28577 0.01140 0.13274 -0.03257 0.01687 110 4ZZ 0.18438 -0.03011 -0.05833 0.04679 -0.00454 111 4XY -0.05974 0.02089 -0.00156 -0.00801 0.02346 112 4XZ -0.23438 0.03210 0.01064 -0.03171 0.03970 113 4YZ 0.06902 -0.00252 -0.01761 0.01265 -0.00452 114 12 H 1S -0.15923 0.03407 -0.04616 -0.00615 0.03496 115 2S -0.02304 -0.04117 -0.01940 0.03648 -0.02689 116 13 H 1S -0.04771 -0.00819 -0.04931 0.04264 -0.00130 117 2S 0.04727 -0.02373 -0.06043 0.05307 -0.04008 118 14 C 1S 0.04107 0.00379 0.02652 -0.00785 0.00900 119 2S 0.30568 0.06470 0.18188 -0.03281 0.08228 120 2PX 0.09179 -0.00983 0.04023 -0.02267 -0.00195 121 2PY 0.10026 0.00969 -0.03297 0.01459 0.02566 122 2PZ -0.12906 -0.00319 -0.02936 0.00375 -0.01685 123 3S -2.30934 -0.15561 -1.41868 0.41447 -0.29787 124 3PX 0.86215 0.11172 0.16093 0.05326 0.17912 125 3PY -0.06819 0.03092 -0.48414 0.12875 0.02522 126 3PZ -0.59039 -0.04359 -0.19855 0.06219 -0.06548 127 4XX -0.10755 -0.00540 0.06035 -0.00164 -0.02323 128 4YY 0.28571 0.01120 -0.13275 0.03265 0.01667 129 4ZZ -0.18438 -0.02996 0.05836 -0.04679 -0.00432 130 4XY -0.05990 -0.02088 -0.00149 -0.00813 -0.02346 131 4XZ 0.23438 0.03197 -0.01065 0.03188 0.03954 132 4YZ 0.06918 0.00253 -0.01765 0.01269 0.00448 133 15 H 1S 0.15925 0.03396 0.04614 0.00630 0.03492 134 2S 0.02303 -0.04113 0.01941 -0.03659 -0.02670 135 16 H 1S 0.04770 -0.00821 0.04932 -0.04264 -0.00113 136 2S -0.04728 -0.02366 0.06041 -0.05324 -0.03983 137 17 H 1S 0.19039 -0.04276 -0.15221 0.32106 0.04632 138 2S -0.17953 0.04748 0.67131 -0.26523 0.01427 139 18 H 1S -0.19043 -0.04254 0.15224 -0.32086 0.04774 140 2S 0.17962 0.04730 -0.67139 0.26529 0.01313 141 19 O 1S -0.01467 -0.04985 -0.04007 -0.02617 0.00115 142 2S -0.26057 -0.36227 -0.94369 0.06573 -0.02156 143 2PX 0.01768 -0.00628 -0.05332 0.03039 -0.04159 144 2PY 0.02376 0.07155 -0.04089 0.03672 0.04486 145 2PZ -0.01768 -0.00743 0.00701 -0.02091 0.02916 146 3S 0.82331 1.47235 3.20301 0.03523 0.05305 147 3PX -0.14457 0.21225 0.49509 -0.33125 1.16918 148 3PY 0.28261 0.22327 1.09307 -0.06726 -0.40307 149 3PZ 0.00186 -0.21681 -0.27007 0.14232 -0.74089 150 4XX -0.04760 0.43946 0.08279 -0.00717 0.12984 151 4YY 0.17841 -0.49109 0.28938 -0.16347 -0.29218 152 4ZZ -0.09560 -0.15925 -0.39870 -0.01145 0.23158 153 4XY -0.21371 -0.17147 -0.17593 -0.45551 0.72985 154 4XZ -0.04532 -0.50857 -0.22181 -0.15670 -0.27732 155 4YZ -0.02083 0.04610 0.02962 0.26717 -0.42564 156 20 O 1S 0.01465 -0.04985 0.04008 0.02617 0.00103 157 2S 0.26050 -0.36230 0.94389 -0.06590 -0.02139 158 2PX -0.01771 -0.00624 0.05329 -0.03058 -0.04147 159 2PY 0.02367 -0.07156 -0.04093 0.03651 -0.04504 160 2PZ 0.01769 -0.00745 -0.00702 0.02106 0.02907 161 3S -0.82290 1.47242 -3.20362 -0.03472 0.05365 162 3PX 0.14474 0.21220 -0.49507 0.33637 1.16753 163 3PY 0.28271 -0.22320 1.09325 -0.06555 0.40334 164 3PZ -0.00197 -0.21692 0.27031 -0.14561 -0.74007 165 4XX 0.04792 0.43936 -0.08284 0.00774 0.12988 166 4YY -0.17877 -0.49101 -0.28937 0.16206 -0.29300 167 4ZZ 0.09559 -0.15923 0.39883 0.01257 0.23156 168 4XY -0.21365 0.17168 -0.17601 -0.45873 -0.72766 169 4XZ 0.04499 -0.50851 0.22184 0.15530 -0.27818 170 4YZ -0.02087 -0.04613 0.02950 0.26906 0.42429 171 21 C 1S 0.00000 0.02964 -0.00002 -0.00017 -0.07565 172 2S 0.00002 -0.04883 -0.00004 0.00049 0.24773 173 2PX 0.00000 -0.10822 0.00001 0.00086 0.41029 174 2PY 0.32325 0.00001 0.68827 0.28774 -0.00075 175 2PZ 0.00004 0.03154 0.00008 -0.00026 -0.13346 176 3S -0.00002 -0.80457 0.00037 0.00452 2.09086 177 3PX 0.00003 -0.01693 0.00004 0.00103 0.48091 178 3PY 0.36169 -0.00003 0.41802 0.31162 -0.00077 179 3PZ 0.00003 -0.00427 -0.00004 -0.00023 -0.13862 180 4XX 0.00013 0.49025 -0.00010 -0.00034 -0.14622 181 4YY -0.00013 -0.73193 0.00017 0.00124 0.57306 182 4ZZ -0.00004 0.30944 -0.00015 -0.00097 -0.45031 183 4XY 0.37871 0.00001 0.64679 0.27623 -0.00070 184 4XZ 0.00003 -0.07886 0.00008 -0.00006 -0.03917 185 4YZ -0.21383 -0.00008 -0.24197 0.02164 0.00014 186 22 H 1S 0.00001 -0.06417 0.00003 0.00002 0.01026 187 2S 0.00001 0.18125 -0.00003 -0.00039 -0.17267 188 23 H 1S -0.00004 -0.09587 -0.00001 -0.00012 -0.05689 189 2S 0.00004 0.19046 -0.00006 -0.00027 -0.12888 176 177 178 179 180 V V V V V Eigenvalues -- 2.94339 3.13275 3.13758 4.01184 4.12433 1 1 C 1S 0.00194 0.03545 -0.04250 0.01057 0.02414 2 2S -0.01621 -0.24356 -0.02639 -0.10519 -0.29709 3 2PX -0.06402 -0.00054 0.00423 -0.01507 0.03564 4 2PY 0.40653 -0.03706 0.05013 -0.00437 0.02148 5 2PZ 0.24609 0.10814 -0.05050 0.02216 -0.05310 6 3S -0.21722 -1.38544 1.17632 -0.05919 0.98198 7 3PX -0.16140 -0.34365 0.13384 -0.01875 0.10271 8 3PY 1.38257 -0.31129 0.32678 0.00333 0.27393 9 3PZ 0.97352 0.63010 -0.45369 0.03592 -0.48297 10 4XX -0.00479 0.24459 -0.22838 0.06147 0.06752 11 4YY 0.64554 -0.23474 0.28335 0.04517 0.22422 12 4ZZ -0.62301 0.15383 -0.09393 0.01946 0.19074 13 4XY 0.13844 0.05700 -0.14546 -0.01291 -0.00193 14 4XZ 0.18799 -0.05253 0.07164 0.02766 -0.03249 15 4YZ -0.36653 -0.47017 0.54602 -0.00452 0.02983 16 2 C 1S -0.00653 -0.05213 0.02010 0.02128 -0.00052 17 2S 0.09692 -0.35710 -0.32855 -0.35012 0.48892 18 2PX -0.12177 0.00976 0.02300 -0.00068 -0.00825 19 2PY 0.12832 0.00594 -0.09201 -0.01531 0.00354 20 2PZ 0.31022 0.10856 -0.17199 0.01099 -0.03405 21 3S 0.71203 2.19389 -0.31357 0.34432 -1.33240 22 3PX -0.58025 0.09644 -0.21529 0.02607 0.03087 23 3PY 0.20453 1.00324 -0.07230 0.22750 -0.79760 24 3PZ 1.32169 -0.06920 -0.12056 -0.14594 0.02951 25 4XX -0.20192 0.04299 0.10822 0.15654 -0.15516 26 4YY 0.06399 -0.29902 0.37349 0.12159 -0.12569 27 4ZZ 0.21672 0.32916 -0.32812 0.15168 -0.18014 28 4XY -0.24070 -0.02016 -0.00173 0.00231 0.00909 29 4XZ 0.06486 -0.27471 0.27255 -0.01695 0.08258 30 4YZ 0.56786 -0.01065 -0.00956 -0.02034 -0.01426 31 3 C 1S 0.00653 0.05214 -0.02010 0.02129 0.00034 32 2S -0.09693 0.35707 0.32852 -0.35019 -0.48789 33 2PX 0.12174 -0.00973 -0.02295 -0.00071 0.00824 34 2PY 0.12841 0.00595 -0.09204 0.01532 0.00350 35 2PZ -0.31019 -0.10853 0.17198 0.01098 0.03408 36 3S -0.71204 -2.19394 0.31347 0.34440 1.33313 37 3PX 0.58016 -0.09664 0.21535 0.02621 -0.03067 38 3PY 0.20498 1.00321 -0.07228 -0.22756 -0.79766 39 3PZ -1.32176 0.06950 0.12061 -0.14615 -0.02981 40 4XX 0.20202 -0.04300 -0.10827 0.15657 0.15458 41 4YY -0.06428 0.29905 -0.37345 0.12160 0.12498 42 4ZZ -0.21652 -0.32913 0.32815 0.15171 0.17955 43 4XY -0.24060 -0.02028 -0.00159 -0.00230 0.00907 44 4XZ -0.06504 0.27466 -0.27254 -0.01695 -0.08262 45 4YZ 0.56790 -0.01045 -0.00981 0.02034 -0.01425 46 4 C 1S -0.00195 -0.03544 0.04250 0.01058 -0.02433 47 2S 0.01619 0.24353 0.02638 -0.10532 0.29837 48 2PX 0.06393 0.00054 -0.00423 -0.01507 -0.03561 49 2PY 0.40660 -0.03704 0.05013 0.00434 0.02144 50 2PZ -0.24600 -0.10812 0.05052 0.02216 0.05305 51 3S 0.21730 1.38535 -1.17636 -0.05904 -0.98165 52 3PX 0.16110 0.34370 -0.13390 -0.01879 -0.10282 53 3PY 1.38283 -0.31112 0.32663 -0.00329 0.27386 54 3PZ -0.97325 -0.63016 0.45377 0.03586 0.48314 55 4XX 0.00472 -0.24460 0.22843 0.06149 -0.06824 56 4YY -0.64534 0.23495 -0.28360 0.04524 -0.22490 57 4ZZ 0.62288 -0.15401 0.09413 0.01952 -0.19144 58 4XY 0.13863 0.05687 -0.14532 0.01291 -0.00190 59 4XZ -0.18786 0.05265 -0.07179 0.02767 0.03249 60 4YZ -0.36690 -0.47003 0.54592 0.00453 0.02980 61 5 H 1S 0.00507 -0.21476 0.21442 0.00765 -0.02684 62 2S -0.02161 -0.06655 -0.00719 -0.00078 0.14027 63 6 H 1S -0.00508 0.21476 -0.21441 0.00763 0.02692 64 2S 0.02161 0.06656 0.00719 -0.00078 -0.14048 65 7 C 1S 0.00367 0.05434 0.03780 0.00126 0.08504 66 2S 0.00776 0.11723 0.14647 0.15162 -0.85795 67 2PX -0.01490 0.28906 0.27618 0.06703 -0.15700 68 2PY -0.01928 0.18231 0.14678 0.04210 0.10574 69 2PZ 0.00818 -0.16429 -0.12542 0.02323 0.05909 70 3S -0.26702 -2.62508 -2.08920 -0.95612 2.92250 71 3PX 0.17787 0.84822 0.76514 0.33903 -1.42620 72 3PY -0.16186 -0.37616 -0.22300 0.07606 0.59834 73 3PZ -0.15792 -1.38041 -1.23352 -0.43849 1.69735 74 4XX 0.01334 -0.19929 -0.17152 0.01436 0.46968 75 4YY -0.04307 0.19533 0.14082 -0.01772 0.52879 76 4ZZ 0.02469 0.01160 -0.04005 0.01127 0.39908 77 4XY -0.08451 -0.33241 -0.31362 0.07760 -0.00815 78 4XZ -0.00132 0.36047 0.34532 0.05411 -0.15226 79 4YZ 0.10923 0.27015 0.22162 -0.06954 0.01170 80 8 C 1S -0.00367 -0.05435 -0.03781 0.00127 -0.08519 81 2S -0.00774 -0.11727 -0.14654 0.15170 0.85906 82 2PX 0.01490 -0.28906 -0.27619 0.06704 0.15706 83 2PY -0.01927 0.18228 0.14674 -0.04212 0.10567 84 2PZ -0.00818 0.16432 0.12542 0.02322 -0.05908 85 3S 0.26692 2.62532 2.08944 -0.95633 -2.92263 86 3PX -0.17789 -0.84830 -0.76516 0.33906 1.42632 87 3PY -0.16196 -0.37644 -0.22320 -0.07590 0.59866 88 3PZ 0.15787 1.38039 1.23352 -0.43863 -1.69737 89 4XX -0.01334 0.19933 0.17155 0.01434 -0.47036 90 4YY 0.04302 -0.19546 -0.14092 -0.01775 -0.52935 91 4ZZ -0.02463 -0.01153 0.04011 0.01129 -0.39967 92 4XY -0.08451 -0.33234 -0.31354 -0.07760 -0.00817 93 4XZ 0.00130 -0.36056 -0.34539 0.05412 0.15229 94 4YZ 0.10923 0.27011 0.22158 0.06951 0.01164 95 9 H 1S 0.01989 -0.12497 0.16482 -0.01643 -0.00047 96 2S -0.04838 -0.11958 -0.09068 0.10148 0.20441 97 10 H 1S -0.01990 0.12496 -0.16483 -0.01644 0.00056 98 2S 0.04838 0.11958 0.09068 0.10143 -0.20457 99 11 C 1S 0.00079 -0.04247 0.01462 -0.00348 -0.01415 100 2S -0.02983 -0.23156 -0.15360 0.15359 0.53109 101 2PX 0.07581 -0.06199 0.06472 0.01319 -0.00694 102 2PY -0.12475 0.03599 -0.03852 -0.02595 0.00335 103 2PZ -0.08796 0.08293 -0.04310 -0.02071 -0.05047 104 3S -0.15514 1.84675 -0.02736 -0.26566 -1.18518 105 3PX 0.49737 -0.57174 -0.12095 0.15416 0.62697 106 3PY -0.75711 -0.29872 -0.13930 -0.01248 0.38966 107 3PZ -0.25196 0.29491 -0.04200 -0.08374 -0.13367 108 4XX -0.18935 0.02245 -0.00566 -0.07038 -0.17175 109 4YY 0.36489 0.03014 -0.00686 -0.03275 -0.20867 110 4ZZ -0.18384 -0.05644 0.13576 -0.05665 -0.18956 111 4XY 0.07599 -0.15431 0.18497 0.01805 0.00116 112 4XZ 0.22098 -0.11095 0.06758 0.04178 0.05871 113 4YZ -0.09464 0.12339 -0.17092 -0.00162 -0.00195 114 12 H 1S 0.02204 -0.07027 -0.10049 0.03223 0.12414 115 2S 0.02854 -0.04621 0.10962 -0.02980 -0.03722 116 13 H 1S -0.01128 -0.01645 -0.00715 0.00452 0.00958 117 2S -0.03330 0.02635 0.06463 -0.02361 -0.18400 118 14 C 1S -0.00079 0.04246 -0.01462 -0.00349 0.01394 119 2S 0.02983 0.23157 0.15362 0.15357 -0.52973 120 2PX -0.07578 0.06198 -0.06472 0.01317 0.00693 121 2PY -0.12479 0.03603 -0.03854 0.02596 0.00337 122 2PZ 0.08793 -0.08292 0.04309 -0.02070 0.05048 123 3S 0.15510 -1.84671 0.02740 -0.26544 1.18561 124 3PX -0.49719 0.57180 0.12097 0.15407 -0.62688 125 3PY -0.75726 -0.29853 -0.13930 0.01251 0.38946 126 3PZ 0.25182 -0.29494 0.04199 -0.08367 0.13362 127 4XX 0.18933 -0.02239 0.00558 -0.07037 0.17089 128 4YY -0.36483 -0.03026 0.00699 -0.03276 0.20794 129 4ZZ 0.18380 0.05649 -0.13583 -0.05665 0.18872 130 4XY 0.07620 -0.15433 0.18499 -0.01806 0.00116 131 4XZ -0.22094 0.11089 -0.06750 0.04177 -0.05873 132 4YZ -0.09480 0.12340 -0.17092 0.00163 -0.00198 133 15 H 1S -0.02204 0.07026 0.10050 0.03222 -0.12405 134 2S -0.02853 0.04624 -0.10961 -0.02980 0.03699 135 16 H 1S 0.01129 0.01646 0.00715 0.00452 -0.00949 136 2S 0.03330 -0.02635 -0.06464 -0.02360 0.18375 137 17 H 1S 0.08594 0.13718 0.10025 0.08416 0.01879 138 2S 0.01991 0.20342 0.21251 -0.07806 -0.50141 139 18 H 1S -0.08594 -0.13717 -0.10026 0.08417 -0.01872 140 2S -0.01989 -0.20344 -0.21256 -0.07803 0.50135 141 19 O 1S -0.00818 0.00901 0.00163 -0.39388 0.40271 142 2S -0.02821 -0.37936 -0.31922 -0.40220 0.63392 143 2PX 0.02230 -0.01398 -0.00488 -0.04678 0.04925 144 2PY -0.00406 0.02352 0.02236 -0.13947 0.16609 145 2PZ -0.00995 -0.01891 -0.01592 0.04422 -0.03966 146 3S 0.23023 1.26435 1.14197 4.81461 -5.56198 147 3PX -0.00838 1.19533 1.04452 0.11548 -0.85413 148 3PY 0.05890 0.01988 0.00983 0.97382 -0.87147 149 3PZ -0.01641 -0.65579 -0.58349 -0.16602 0.61624 150 4XX 0.00293 0.35194 0.29743 -1.26879 1.15518 151 4YY -0.03989 -0.25961 -0.24326 -1.17540 1.26418 152 4ZZ -0.00589 0.19257 0.14271 -1.33772 1.38003 153 4XY -0.03958 0.36823 0.32379 -0.09149 -0.14417 154 4XZ -0.03679 -0.33620 -0.30738 -0.08600 0.24426 155 4YZ 0.02817 -0.19809 -0.16598 0.00700 0.11714 156 20 O 1S 0.00818 -0.00901 -0.00163 -0.39383 -0.40278 157 2S 0.02816 0.37943 0.31928 -0.40218 -0.63409 158 2PX -0.02230 0.01399 0.00488 -0.04678 -0.04924 159 2PY -0.00407 0.02352 0.02236 0.13943 0.16610 160 2PZ 0.00995 0.01890 0.01592 0.04425 0.03970 161 3S -0.23004 -1.26450 -1.14213 4.81410 5.56317 162 3PX 0.00836 -1.19541 -1.04455 0.11561 0.85426 163 3PY 0.05887 0.01978 0.00975 -0.97370 -0.87168 164 3PZ 0.01642 0.65581 0.58349 -0.16625 -0.61653 165 4XX -0.00291 -0.35199 -0.29748 -1.26860 -1.15535 166 4YY 0.03986 0.25964 0.24329 -1.17524 -1.26442 167 4ZZ 0.00588 -0.19263 -0.14274 -1.33756 -1.38024 168 4XY -0.03952 0.36819 0.32373 0.09150 -0.14414 169 4XZ 0.03675 0.33628 0.30744 -0.08598 -0.24439 170 4YZ 0.02816 -0.19798 -0.16587 -0.00697 0.11719 171 21 C 1S 0.00000 0.00001 0.00000 -0.12394 0.00001 172 2S -0.00002 0.00005 0.00004 0.95559 0.00005 173 2PX -0.00002 0.00003 0.00003 -0.16551 -0.00005 174 2PY 0.05139 -0.24431 -0.21411 -0.00002 -0.05155 175 2PZ 0.00001 -0.00003 -0.00003 0.08558 0.00001 176 3S -0.00009 -0.00004 0.00002 -2.06868 -0.00036 177 3PX -0.00002 0.00000 0.00002 -0.78676 -0.00010 178 3PY 0.04749 -0.62914 -0.54771 0.00003 -0.38789 179 3PZ 0.00001 -0.00009 -0.00009 0.18725 0.00006 180 4XX 0.00002 0.00005 0.00004 -0.59085 -0.00003 181 4YY -0.00004 -0.00008 -0.00006 -0.37873 -0.00001 182 4ZZ 0.00003 0.00005 0.00004 -0.54382 0.00000 183 4XY 0.03208 -0.31445 -0.27700 -0.00003 0.11059 184 4XZ 0.00001 -0.00005 -0.00004 0.03177 0.00004 185 4YZ 0.00784 0.13878 0.12341 0.00002 -0.00784 186 22 H 1S 0.00000 0.00000 0.00000 0.24393 0.00002 187 2S 0.00001 0.00003 0.00002 0.04122 0.00000 188 23 H 1S 0.00000 -0.00001 -0.00001 0.21767 0.00004 189 2S 0.00001 0.00000 -0.00001 -0.05425 0.00003 181 182 183 184 185 V V V V V Eigenvalues -- 4.12773 4.22311 4.28838 4.36076 4.37990 1 1 C 1S -0.19033 0.18103 -0.13467 0.18645 -0.20251 2 2S 1.30302 -0.98133 0.76661 -0.99260 1.24515 3 2PX 0.01588 0.02949 0.00633 -0.02436 0.02513 4 2PY 0.05776 -0.05009 0.03795 -0.02338 -0.15018 5 2PZ -0.00244 -0.11867 0.06640 -0.06854 0.03156 6 3S 0.42741 -0.86346 0.39947 -0.65972 0.31016 7 3PX -0.04821 -0.03740 -0.01644 0.04633 -0.23235 8 3PY -0.06495 0.04964 0.01275 -0.00363 0.07475 9 3PZ 0.06500 0.23161 -0.07159 0.11527 0.35734 10 4XX -0.74233 0.69627 -0.51563 0.70854 -0.78048 11 4YY -0.70205 0.61134 -0.47293 0.63301 -0.97479 12 4ZZ -0.76263 0.75264 -0.54277 0.71412 -0.76634 13 4XY -0.00399 -0.02519 -0.00237 0.01241 -0.02198 14 4XZ 0.01014 -0.01211 0.02128 -0.03392 -0.00280 15 4YZ -0.00258 0.04903 -0.01555 -0.00419 -0.01323 16 2 C 1S -0.10300 -0.11085 0.00691 0.03329 -0.19982 17 2S 0.63229 0.56295 -0.06315 -0.05327 0.75304 18 2PX 0.02044 0.05660 0.00891 0.00104 0.02357 19 2PY 0.04704 -0.03487 0.02491 -0.01996 -0.05246 20 2PZ 0.05374 -0.12199 0.04171 -0.05464 0.08300 21 3S 0.21593 0.58963 -0.18202 -0.07754 1.41581 22 3PX 0.02616 -0.18216 -0.07254 0.08903 0.07496 23 3PY 0.01307 0.05881 0.00192 -0.01330 0.65996 24 3PZ -0.05901 0.21455 0.05946 0.09835 0.04536 25 4XX -0.35804 -0.33487 0.04021 0.04413 -0.69469 26 4YY -0.40598 -0.44938 0.03329 0.11975 -0.64367 27 4ZZ -0.28592 -0.45928 0.10197 0.00846 -0.55310 28 4XY 0.03073 0.04269 -0.02453 0.02966 0.02058 29 4XZ -0.07311 -0.01762 -0.01909 -0.00584 -0.10659 30 4YZ 0.00647 -0.11337 0.04780 -0.03081 0.03353 31 3 C 1S -0.10299 -0.11084 0.00691 0.03336 0.19964 32 2S 0.63270 0.56298 -0.06314 -0.05364 -0.75201 33 2PX 0.02045 0.05658 0.00892 0.00105 -0.02358 34 2PY -0.04704 0.03490 -0.02492 0.01995 -0.05240 35 2PZ 0.05370 -0.12199 0.04170 -0.05463 -0.08301 36 3S 0.21460 0.58933 -0.18214 -0.07781 -1.41480 37 3PX 0.02621 -0.18217 -0.07262 0.08902 -0.07506 38 3PY -0.01227 -0.05868 -0.00184 0.01331 0.65984 39 3PZ -0.05901 0.21454 0.05952 0.09837 -0.04528 40 4XX -0.35815 -0.33483 0.04020 0.04440 0.69399 41 4YY -0.40608 -0.44942 0.03332 0.11998 0.64297 42 4ZZ -0.28605 -0.45923 0.10195 0.00874 0.55237 43 4XY -0.03071 -0.04265 0.02454 -0.02966 0.02059 44 4XZ -0.07301 -0.01763 -0.01907 -0.00585 0.10665 45 4YZ -0.00650 0.11336 -0.04783 0.03083 0.03358 46 4 C 1S -0.19031 0.18104 -0.13468 0.18647 0.20248 47 2S 1.30272 -0.98138 0.76666 -0.99264 -1.24501 48 2PX 0.01593 0.02948 0.00634 -0.02438 -0.02508 49 2PY -0.05778 0.05012 -0.03796 0.02337 -0.15012 50 2PZ -0.00250 -0.11867 0.06639 -0.06851 -0.03163 51 3S 0.42834 -0.86324 0.39958 -0.65991 -0.31027 52 3PX -0.04814 -0.03734 -0.01641 0.04637 0.23230 53 3PY 0.06471 -0.04977 -0.01283 0.00371 0.07482 54 3PZ 0.06457 0.23150 -0.07163 0.11530 -0.35730 55 4XX -0.74226 0.69628 -0.51566 0.70861 0.78037 56 4YY -0.70182 0.61140 -0.47298 0.63305 0.97472 57 4ZZ -0.76243 0.75266 -0.54280 0.71414 0.76629 58 4XY 0.00398 0.02521 0.00236 -0.01240 -0.02201 59 4XZ 0.01010 -0.01209 0.02127 -0.03392 0.00279 60 4YZ 0.00257 -0.04907 0.01558 0.00419 -0.01325 61 5 H 1S 0.07595 -0.05785 0.06028 -0.08990 0.04491 62 2S -0.19388 0.08319 -0.09693 0.16680 -0.26636 63 6 H 1S 0.07592 -0.05786 0.06029 -0.08990 -0.04488 64 2S -0.19376 0.08322 -0.09692 0.16681 0.26635 65 7 C 1S -0.18311 0.10055 0.09057 -0.27586 -0.12015 66 2S 1.20849 -0.54837 -0.32789 1.45174 0.95844 67 2PX 0.05581 -0.00610 -0.00601 0.02187 0.01402 68 2PY 0.07552 -0.05436 0.01796 0.04591 -0.08731 69 2PZ -0.02627 -0.00178 0.03049 -0.09478 -0.02033 70 3S 0.35248 -0.35492 -0.20598 1.13172 0.45482 71 3PX 0.00883 -0.20451 0.06667 0.03525 -0.26323 72 3PY -0.02790 0.09959 -0.20197 -0.04233 -0.02988 73 3PZ -0.07977 0.15635 -0.12827 0.19997 -0.05426 74 4XX -0.75781 0.37124 0.27078 -1.08551 -0.58645 75 4YY -0.66534 0.34393 0.26054 -0.94521 -0.65221 76 4ZZ -0.73933 0.40165 0.32019 -1.06049 -0.53408 77 4XY -0.02145 0.03176 0.01096 -0.03348 -0.03560 78 4XZ 0.03301 -0.05193 0.02881 0.05811 0.01300 79 4YZ -0.00119 -0.01905 0.02274 -0.00512 0.00502 80 8 C 1S -0.18299 0.10057 0.09057 -0.27581 0.12024 81 2S 1.20733 -0.54851 -0.32791 1.45136 -0.95887 82 2PX 0.05562 -0.00614 -0.00603 0.02186 -0.01400 83 2PY -0.07566 0.05434 -0.01797 -0.04592 -0.08730 84 2PZ -0.02623 -0.00176 0.03050 -0.09477 0.02034 85 3S 0.35558 -0.35451 -0.20553 1.13127 -0.45542 86 3PX 0.00730 -0.20481 0.06650 0.03548 0.26325 87 3PY 0.02724 -0.09969 0.20185 0.04243 -0.03001 88 3PZ -0.07788 0.15664 -0.12807 0.19984 0.05413 89 4XX -0.75718 0.37132 0.27079 -1.08527 0.58681 90 4YY -0.66460 0.34403 0.26055 -0.94495 0.65253 91 4ZZ -0.73878 0.40175 0.32017 -1.06026 0.53443 92 4XY 0.02145 -0.03175 -0.01097 0.03346 -0.03563 93 4XZ 0.03283 -0.05196 0.02878 0.05812 -0.01303 94 4YZ 0.00120 0.01904 -0.02274 0.00517 0.00505 95 9 H 1S 0.05964 0.04749 0.00784 -0.02035 -0.08241 96 2S -0.08709 -0.12404 0.01697 0.03337 -0.05235 97 10 H 1S 0.05964 0.04750 0.00786 -0.02033 0.08246 98 2S -0.08689 -0.12399 0.01699 0.03334 0.05221 99 11 C 1S -0.16664 -0.27397 -0.01256 0.03688 0.14557 100 2S 1.05825 1.43480 0.08051 -0.21216 -0.92185 101 2PX -0.00377 0.02895 0.00403 -0.03260 -0.03211 102 2PY -0.02774 -0.00366 -0.00605 0.00003 -0.04599 103 2PZ -0.00008 -0.01928 0.01524 -0.02700 0.00133 104 3S 0.45225 1.16046 0.14622 -0.11289 -0.17981 105 3PX 0.08635 -0.06505 -0.03722 0.07535 -0.10579 106 3PY 0.03806 0.08205 0.05332 -0.01178 -0.05412 107 3PZ -0.04832 0.02895 -0.03540 0.11945 0.31025 108 4XX -0.67038 -1.04072 -0.04511 0.13881 0.58053 109 4YY -0.57864 -0.90587 -0.04672 0.13145 0.66285 110 4ZZ -0.66491 -1.02840 -0.05425 0.14439 0.54423 111 4XY -0.00559 -0.02546 -0.00111 0.01231 0.02341 112 4XZ -0.00029 -0.03212 0.01159 -0.01206 0.02701 113 4YZ 0.00894 0.00802 0.00245 -0.00569 -0.03003 114 12 H 1S 0.06632 0.07177 -0.00421 0.00008 -0.02484 115 2S -0.15150 -0.27592 -0.06136 0.13376 0.20284 116 13 H 1S 0.06813 0.08769 -0.00117 -0.02109 -0.08581 117 2S -0.19210 -0.25761 0.00882 -0.04885 0.15912 118 14 C 1S -0.16666 -0.27399 -0.01257 0.03685 -0.14547 119 2S 1.05884 1.43504 0.08062 -0.21207 0.92129 120 2PX -0.00379 0.02894 0.00403 -0.03259 0.03209 121 2PY 0.02773 0.00366 0.00604 -0.00004 -0.04600 122 2PZ -0.00013 -0.01929 0.01524 -0.02699 -0.00129 123 3S 0.45114 1.16020 0.14606 -0.11259 0.17909 124 3PX 0.08700 -0.06482 -0.03714 0.07527 0.10588 125 3PY -0.03843 -0.08219 -0.05336 0.01189 -0.05397 126 3PZ -0.04845 0.02893 -0.03547 0.11942 -0.31037 127 4XX -0.67059 -1.04083 -0.04517 0.13873 -0.58010 128 4YY -0.57890 -0.90599 -0.04677 0.13133 -0.66246 129 4ZZ -0.66514 -1.02852 -0.05430 0.14430 -0.54380 130 4XY 0.00556 0.02543 0.00111 -0.01229 0.02349 131 4XZ -0.00023 -0.03210 0.01159 -0.01208 -0.02704 132 4YZ -0.00893 -0.00800 -0.00244 0.00568 -0.03010 133 15 H 1S 0.06645 0.07181 -0.00420 0.00006 0.02482 134 2S -0.15156 -0.27592 -0.06138 0.13372 -0.20277 135 16 H 1S 0.06814 0.08770 -0.00115 -0.02108 0.08580 136 2S -0.19231 -0.25770 0.00880 -0.04885 -0.15901 137 17 H 1S 0.08549 -0.01537 -0.08031 0.09932 -0.05366 138 2S -0.17859 0.25296 -0.01527 -0.23744 0.12476 139 18 H 1S 0.08552 -0.01537 -0.08031 0.09936 0.05366 140 2S -0.17917 0.25285 -0.01533 -0.23742 -0.12466 141 19 O 1S -0.03086 0.02751 0.08773 0.05965 0.09833 142 2S -0.07748 0.07135 -0.03064 0.03479 0.08389 143 2PX 0.04502 -0.03056 -0.04022 0.03317 0.03979 144 2PY -0.01107 0.00970 0.06796 0.05894 0.05576 145 2PZ -0.01361 0.00788 0.01264 -0.02924 -0.01995 146 3S 0.52603 -0.50682 -0.92899 -0.87273 -1.11642 147 3PX 0.01489 -0.04599 -0.04693 -0.07125 -0.00074 148 3PY 0.17053 -0.13647 0.07222 -0.02223 -0.12709 149 3PZ -0.07529 0.05799 0.05939 -0.04048 0.01701 150 4XX -0.04628 0.05010 0.32261 0.29635 0.36367 151 4YY -0.09567 0.09521 0.51930 0.26076 0.33358 152 4ZZ -0.06976 0.06943 0.22714 0.23753 0.36656 153 4XY 0.04615 -0.04977 -0.18211 -0.03608 0.02550 154 4XZ -0.08235 0.05302 -0.02576 -0.12288 -0.04391 155 4YZ -0.04646 0.03488 0.07192 -0.03691 -0.02138 156 20 O 1S -0.03044 0.02759 0.08777 0.05960 -0.09837 157 2S -0.07678 0.07148 -0.03059 0.03471 -0.08395 158 2PX 0.04506 -0.03053 -0.04019 0.03316 -0.03982 159 2PY 0.01090 -0.00974 -0.06795 -0.05889 0.05577 160 2PZ -0.01364 0.00787 0.01261 -0.02925 0.01998 161 3S 0.52013 -0.50793 -0.92958 -0.87206 1.11701 162 3PX 0.01395 -0.04617 -0.04701 -0.07119 0.00084 163 3PY -0.16958 0.13663 -0.07211 0.02215 -0.12715 164 3PZ -0.07466 0.05814 0.05944 -0.04050 -0.01709 165 4XX -0.04509 0.05033 0.32270 0.29618 -0.36381 166 4YY -0.09439 0.09549 0.51947 0.26058 -0.33370 167 4ZZ -0.06832 0.06971 0.22726 0.23736 -0.36672 168 4XY -0.04597 0.04979 0.18211 0.03610 0.02551 169 4XZ -0.08208 0.05308 -0.02568 -0.12285 0.04395 170 4YZ 0.04632 -0.03489 -0.07186 0.03691 -0.02139 171 21 C 1S 0.06787 -0.06141 -0.42862 -0.17068 0.00000 172 2S -0.26760 0.31256 2.39259 1.13131 -0.00004 173 2PX -0.01372 -0.00851 -0.14973 -0.07004 -0.00001 174 2PY 0.00003 0.00001 0.00002 0.00001 -0.00601 175 2PZ 0.00850 -0.01771 0.07125 0.00904 0.00000 176 3S -0.74295 0.52685 2.26354 0.82171 -0.00003 177 3PX -0.18667 0.12165 0.01984 -0.02614 0.00001 178 3PY 0.00018 0.00004 0.00004 -0.00005 -0.17734 179 3PZ 0.13632 0.02833 -0.14161 0.17698 -0.00001 180 4XX 0.20201 -0.22621 -1.67875 -0.75743 0.00001 181 4YY 0.24025 -0.23790 -1.86089 -0.78509 0.00002 182 4ZZ 0.23537 -0.22905 -1.60921 -0.67909 0.00001 183 4XY -0.00006 -0.00001 0.00001 0.00001 0.03135 184 4XZ 0.03819 -0.01920 0.03400 0.05070 0.00000 185 4YZ 0.00000 0.00000 -0.00004 -0.00002 -0.01150 186 22 H 1S 0.00291 -0.00861 0.09798 0.01491 0.00000 187 2S 0.05662 -0.11188 -0.43831 -0.26354 0.00000 188 23 H 1S 0.02021 0.01062 0.05891 0.05653 0.00001 189 2S 0.08299 -0.03980 -0.53083 -0.14939 0.00001 186 187 188 189 V V V V Eigenvalues -- 4.44862 4.50900 4.60325 4.87095 1 1 C 1S 0.01486 -0.22771 -0.18752 -0.02363 2 2S -0.07500 1.10168 0.87609 0.19529 3 2PX 0.03169 -0.02200 -0.00765 -0.03083 4 2PY -0.08344 -0.08456 -0.07768 0.04056 5 2PZ -0.11332 0.12291 0.10410 0.02170 6 3S -0.55754 2.39782 1.65072 2.53671 7 3PX -0.04396 0.12167 0.00203 0.46809 8 3PY 0.08328 0.40548 0.52394 0.14039 9 3PZ 0.18036 -0.68156 -0.22422 -1.21914 10 4XX 0.06753 -0.82481 -0.66258 -0.08837 11 4YY 0.09259 -1.03222 -0.86145 -0.19232 12 4ZZ 0.16999 -0.87004 -0.71323 -0.20346 13 4XY -0.02652 0.03949 -0.02520 0.04576 14 4XZ -0.03536 0.02945 0.03318 0.02866 15 4YZ 0.13439 -0.09302 -0.08396 -0.13414 16 2 C 1S -0.32487 0.08610 0.02296 0.39277 17 2S 1.72536 -0.30519 -0.55024 -0.87387 18 2PX 0.00028 -0.02471 -0.00168 -0.04538 19 2PY -0.10202 0.06427 0.03230 0.21923 20 2PZ -0.01361 0.08251 0.04368 0.00579 21 3S 2.16723 -0.90257 -0.12125 -5.51902 22 3PX -0.01949 0.15431 -0.31099 0.05254 23 3PY 0.23889 -0.30463 -0.00219 -2.02331 24 3PZ -0.10244 -0.27117 0.03781 -0.03733 25 4XX -1.23455 0.21725 0.24267 1.19481 26 4YY -1.24378 0.31265 0.19360 1.21159 27 4ZZ -1.34406 0.40331 0.32803 1.30170 28 4XY -0.03542 -0.04849 -0.05220 0.04596 29 4XZ 0.10949 0.03194 -0.03956 -0.05683 30 4YZ -0.01717 0.10895 0.02979 0.00117 31 3 C 1S -0.32501 -0.08607 -0.02304 -0.39277 32 2S 1.72577 0.30502 0.55075 0.87371 33 2PX 0.00028 0.02469 0.00172 0.04529 34 2PY 0.10206 0.06428 0.03234 0.21922 35 2PZ -0.01354 -0.08249 -0.04365 -0.00576 36 3S 2.16817 0.90231 0.12173 5.51944 37 3PX -0.01953 -0.15424 0.31110 -0.05226 38 3PY -0.23919 -0.30464 -0.00223 -2.02325 39 3PZ -0.10252 0.27105 -0.03782 0.03675 40 4XX -1.23499 -0.21711 -0.24304 -1.19472 41 4YY -1.24419 -0.31260 -0.19397 -1.21156 42 4ZZ -1.34441 -0.40313 -0.32840 -1.30167 43 4XY 0.03539 -0.04847 -0.05221 0.04595 44 4XZ 0.10944 -0.03198 0.03953 0.05688 45 4YZ 0.01721 0.10898 0.02985 0.00121 46 4 C 1S 0.01472 0.22772 0.18754 0.02365 47 2S -0.07423 -1.10172 -0.87613 -0.19534 48 2PX 0.03169 0.02201 0.00768 0.03081 49 2PY 0.08357 -0.08454 -0.07764 0.04056 50 2PZ -0.11328 -0.12293 -0.10416 -0.02171 51 3S -0.55704 -2.39773 -1.65092 -2.53676 52 3PX -0.04405 -0.12171 -0.00216 -0.46806 53 3PY -0.08351 0.40532 0.52389 0.14003 54 3PZ 0.18048 0.68161 0.22442 1.21922 55 4XX 0.06699 0.82482 0.66263 0.08841 56 4YY 0.09201 1.03228 0.86153 0.19242 57 4ZZ 0.16944 0.87003 0.71327 0.20345 58 4XY 0.02654 0.03944 -0.02523 0.04573 59 4XZ -0.03532 -0.02942 -0.03319 -0.02863 60 4YZ -0.13441 -0.09297 -0.08396 -0.13415 61 5 H 1S 0.02601 0.05784 0.05290 0.00954 62 2S 0.00591 -0.03002 -0.10347 0.20093 63 6 H 1S 0.02604 -0.05784 -0.05290 -0.00954 64 2S 0.00576 0.03003 0.10347 -0.20093 65 7 C 1S 0.03355 -0.04659 0.31060 -0.18579 66 2S 0.05316 0.23172 -1.25861 0.07131 67 2PX 0.01414 -0.00469 0.00586 -0.07542 68 2PY 0.01683 -0.02112 0.14752 -0.04651 69 2PZ 0.00966 0.02963 0.10664 -0.04508 70 3S -0.59247 0.11331 -3.68938 4.80595 71 3PX 0.01191 0.53483 0.13458 -0.43909 72 3PY 0.09411 -0.21267 -0.93523 1.07424 73 3PZ -0.24086 -0.51670 -0.73575 1.72959 74 4XX 0.03740 -0.17798 1.10329 -0.39263 75 4YY 0.07337 -0.23351 1.31682 -0.58796 76 4ZZ 0.07161 -0.17564 1.09330 -0.47051 77 4XY 0.02966 -0.01088 -0.00412 0.00301 78 4XZ -0.01266 0.05356 -0.02104 -0.01956 79 4YZ 0.01694 0.02536 -0.05674 0.02249 80 8 C 1S 0.03358 0.04658 -0.31066 0.18579 81 2S 0.05321 -0.23167 1.25886 -0.07118 82 2PX 0.01408 0.00469 -0.00587 0.07539 83 2PY -0.01683 -0.02111 0.14752 -0.04654 84 2PZ 0.00968 -0.02965 -0.10662 0.04506 85 3S -0.59250 -0.11328 3.68980 -4.80636 86 3PX 0.01146 -0.53491 -0.13454 0.43912 87 3PY -0.09400 -0.21279 -0.93530 1.07458 88 3PZ -0.24074 0.51674 0.73551 -1.72947 89 4XX 0.03743 0.17794 -1.10351 0.39255 90 4YY 0.07342 0.23348 -1.31700 0.58792 91 4ZZ 0.07165 0.17563 -1.09355 0.47050 92 4XY -0.02966 -0.01087 -0.00411 0.00300 93 4XZ -0.01272 -0.05356 0.02105 0.01953 94 4YZ -0.01693 0.02538 -0.05681 0.02250 95 9 H 1S 0.06099 0.02979 0.02735 0.05773 96 2S -0.29865 -0.01813 -0.01174 0.08149 97 10 H 1S 0.06097 -0.02979 -0.02731 -0.05778 98 2S -0.29863 0.01813 0.01169 -0.08157 99 11 C 1S 0.15481 -0.29142 0.11662 0.17101 100 2S -0.79070 1.32788 -0.58140 -0.43146 101 2PX -0.05392 0.05424 -0.04244 0.02026 102 2PY 0.02486 0.05015 -0.01611 0.00946 103 2PZ 0.05704 -0.03210 0.00606 0.00107 104 3S -1.21221 2.29881 -1.01399 -3.92815 105 3PX 0.17614 -0.15607 0.15134 0.65359 106 3PY -0.10621 -0.32366 0.04778 0.64201 107 3PZ -0.15423 -0.00269 0.05634 -0.74946 108 4XX 0.63432 -1.02476 0.43308 0.51978 109 4YY 0.53310 -1.17948 0.50581 0.59556 110 4ZZ 0.65510 -1.01253 0.42356 0.54991 111 4XY -0.08110 0.00043 -0.03831 -0.09694 112 4XZ -0.08053 -0.02238 -0.03039 -0.06911 113 4YZ 0.07655 -0.02106 -0.00166 0.09883 114 12 H 1S -0.01555 -0.01870 0.01554 0.11008 115 2S 0.16926 -0.32374 0.21111 0.09263 116 13 H 1S -0.00547 0.02203 -0.00317 0.13585 117 2S 0.14795 -0.27659 0.04654 0.15716 118 14 C 1S 0.15495 0.29138 -0.11659 -0.17101 119 2S -0.79147 -1.32773 0.58127 0.43147 120 2PX -0.05396 -0.05424 0.04241 -0.02025 121 2PY -0.02485 0.05013 -0.01610 0.00945 122 2PZ 0.05703 0.03211 -0.00605 -0.00108 123 3S -1.21286 -2.29858 1.01361 3.92808 124 3PX 0.17615 0.15607 -0.15122 -0.65374 125 3PY 0.10619 -0.32361 0.04777 0.64176 126 3PZ -0.15404 0.00264 -0.05636 0.74960 127 4XX 0.63482 1.02463 -0.43293 -0.51975 128 4YY 0.53377 1.17937 -0.50570 -0.59564 129 4ZZ 0.65557 1.01239 -0.42340 -0.54989 130 4XY 0.08115 0.00038 -0.03828 -0.09695 131 4XZ -0.08047 0.02240 0.03036 0.06907 132 4YZ -0.07658 -0.02101 -0.00169 0.09883 133 15 H 1S -0.01554 0.01870 -0.01553 -0.11006 134 2S 0.16943 0.32369 -0.21103 -0.09261 135 16 H 1S -0.00553 -0.02201 0.00317 -0.13586 136 2S 0.14806 0.27659 -0.04655 -0.15714 137 17 H 1S 0.02199 0.08372 0.05169 0.00399 138 2S -0.00226 0.33553 -0.08733 -0.23158 139 18 H 1S 0.02198 -0.08371 -0.05170 -0.00399 140 2S -0.00232 -0.33548 0.08719 0.23160 141 19 O 1S -0.05020 0.00618 -0.07060 0.14313 142 2S -0.11600 -0.04401 -0.10894 0.38783 143 2PX -0.01286 0.02066 -0.03437 0.04987 144 2PY -0.01937 0.01532 -0.04153 0.05878 145 2PZ 0.01893 0.00465 0.03697 -0.02491 146 3S 0.80833 0.22440 1.35897 -2.85313 147 3PX 0.10607 0.10669 0.14820 -0.66252 148 3PY 0.15832 0.03386 0.16454 -0.41685 149 3PZ -0.09114 -0.11113 -0.05958 0.29677 150 4XX -0.14949 0.06132 -0.26265 0.37542 151 4YY -0.12385 0.02452 -0.25065 0.46336 152 4ZZ -0.18381 0.04015 -0.27992 0.50516 153 4XY -0.01553 0.02518 -0.05488 -0.03118 154 4XZ -0.01554 -0.02932 0.11927 0.01064 155 4YZ 0.00832 -0.02747 0.03854 0.01415 156 20 O 1S -0.05010 -0.00616 0.07061 -0.14315 157 2S -0.11581 0.04406 0.10896 -0.38789 158 2PX -0.01282 -0.02066 0.03438 -0.04986 159 2PY 0.01931 0.01531 -0.04153 0.05879 160 2PZ 0.01893 -0.00464 -0.03699 0.02493 161 3S 0.80694 -0.22477 -1.35917 2.85343 162 3PX 0.10588 -0.10672 -0.14822 0.66254 163 3PY -0.15808 0.03390 0.16456 -0.41691 164 3PZ -0.09104 0.11113 0.05963 -0.29691 165 4XX -0.14919 -0.06126 0.26271 -0.37547 166 4YY -0.12349 -0.02443 0.25067 -0.46336 167 4ZZ -0.18343 -0.04009 0.27998 -0.50521 168 4XY 0.01557 0.02518 -0.05485 -0.03118 169 4XZ -0.01548 0.02932 -0.11930 -0.01067 170 4YZ -0.00834 -0.02746 0.03854 0.01415 171 21 C 1S -0.04513 -0.00001 -0.00001 -0.00001 172 2S 0.21426 0.00007 0.00005 0.00006 173 2PX -0.05543 0.00000 0.00000 -0.00003 174 2PY 0.00000 0.00105 0.02509 -0.05382 175 2PZ 0.00666 0.00000 0.00000 -0.00001 176 3S -0.03239 0.00015 0.00008 0.00000 177 3PX -0.02957 0.00004 0.00001 0.00003 178 3PY 0.00005 -0.06125 0.10474 -0.04679 179 3PZ 0.10198 0.00001 -0.00001 0.00007 180 4XX -0.18198 -0.00005 -0.00004 -0.00005 181 4YY -0.15436 -0.00005 -0.00003 -0.00006 182 4ZZ -0.17165 -0.00005 -0.00004 -0.00005 183 4XY -0.00002 -0.00813 -0.02062 0.02148 184 4XZ -0.00265 0.00000 0.00000 0.00000 185 4YZ 0.00001 -0.01136 -0.00287 -0.00293 186 22 H 1S 0.01821 -0.00001 0.00000 0.00000 187 2S -0.07042 -0.00003 0.00000 -0.00004 188 23 H 1S 0.04392 0.00000 0.00000 0.00002 189 2S -0.00085 -0.00001 -0.00001 0.00003 Density Matrix: 1 2 3 4 5 1 1 C 1S 2.05282 2 2S -0.06255 0.32755 3 2PX -0.00140 0.00252 0.35515 4 2PY 0.00097 0.00036 -0.00139 0.41443 5 2PZ -0.00131 -0.00543 -0.03125 0.00023 0.40212 6 3S -0.15830 0.24228 0.00291 0.01317 0.04226 7 3PX 0.00113 -0.00315 0.21933 -0.01072 0.03526 8 3PY 0.00251 -0.01345 -0.02696 0.13648 -0.00083 9 3PZ -0.00982 0.03047 0.04208 -0.01216 0.12272 10 4XX -0.01240 -0.01304 0.00071 -0.00285 0.00347 11 4YY -0.01693 -0.00310 0.00128 0.01322 0.00403 12 4ZZ -0.01781 -0.00166 -0.00663 -0.01343 -0.00166 13 4XY -0.00134 0.00254 -0.00125 -0.00159 0.00728 14 4XZ 0.00350 -0.00743 -0.00287 0.00739 -0.00687 15 4YZ 0.00175 -0.00281 0.00873 0.00074 -0.01435 16 2 C 1S 0.01820 -0.03656 -0.01017 0.03659 0.07344 17 2S -0.03388 0.06338 0.01983 -0.07634 -0.14775 18 2PX 0.01248 -0.02889 0.18250 0.00837 0.12424 19 2PY -0.03913 0.07807 -0.00826 -0.05062 -0.15360 20 2PZ -0.06921 0.14402 0.15744 -0.15687 -0.18248 21 3S -0.01204 0.03990 0.00233 -0.05277 -0.16228 22 3PX -0.00123 0.00105 0.13404 -0.00030 0.05751 23 3PY -0.01122 0.02913 -0.01794 -0.00609 -0.06276 24 3PZ -0.01450 0.03846 0.08770 -0.07189 -0.04943 25 4XX 0.00275 -0.00570 -0.00647 0.00276 0.00709 26 4YY 0.00162 -0.00337 -0.00018 0.01232 0.00174 27 4ZZ -0.00434 0.00759 0.00512 -0.00900 0.00395 28 4XY 0.00115 -0.00233 0.00459 -0.00024 0.00387 29 4XZ 0.00133 -0.00236 0.01199 0.00174 0.00221 30 4YZ -0.00435 0.00871 0.00393 0.00305 -0.00980 31 3 C 1S -0.00341 0.00805 0.00517 0.01241 -0.00307 32 2S 0.00799 -0.01931 -0.01249 -0.03302 0.00919 33 2PX -0.00013 -0.00050 -0.02109 -0.00144 -0.00883 34 2PY -0.01144 0.02691 0.00683 0.03368 -0.00518 35 2PZ 0.00945 -0.03038 -0.01521 -0.03576 0.01473 36 3S 0.00706 -0.01922 -0.03006 -0.02492 0.04786 37 3PX -0.00155 0.00071 -0.03301 0.01267 -0.01349 38 3PY -0.00344 0.00954 0.01632 -0.00508 -0.00176 39 3PZ 0.00614 -0.01691 -0.02827 -0.02794 0.01867 40 4XX 0.00018 -0.00032 0.00004 -0.00146 0.00054 41 4YY -0.00185 0.00428 -0.00018 0.00989 -0.00142 42 4ZZ 0.00103 -0.00218 0.00229 -0.00349 0.00131 43 4XY -0.00017 0.00048 -0.00265 0.00132 -0.00153 44 4XZ -0.00043 0.00068 0.00707 0.00076 0.00333 45 4YZ 0.00123 -0.00226 -0.00036 -0.00717 0.00061 46 4 C 1S 0.01657 -0.03200 -0.00531 -0.07761 -0.00242 47 2S -0.03200 0.05429 0.00507 0.16009 0.00891 48 2PX -0.00532 0.00510 0.15913 0.00481 0.06115 49 2PY 0.07761 -0.16009 -0.00473 -0.31360 -0.00719 50 2PZ -0.00240 0.00888 0.06114 0.00713 0.03632 51 3S -0.00528 0.03319 0.06255 0.12724 -0.01565 52 3PX -0.00336 0.00532 0.10963 -0.00898 0.03494 53 3PY 0.01369 -0.04242 -0.01072 -0.09234 -0.00476 54 3PZ 0.00238 -0.01064 0.02031 0.02057 0.04579 55 4XX 0.00227 -0.00499 -0.00125 -0.00696 0.00063 56 4YY -0.00698 0.01226 -0.00003 0.00598 -0.00109 57 4ZZ 0.00297 -0.00672 -0.00035 -0.01109 -0.00035 58 4XY -0.00004 0.00009 -0.01330 0.00061 0.00048 59 4XZ -0.00043 0.00120 0.00055 0.00204 0.00043 60 4YZ 0.00025 0.00026 0.00001 0.00122 -0.01310 61 5 H 1S -0.06047 0.11437 -0.10768 -0.13136 0.20427 62 2S -0.01307 0.02613 -0.10362 -0.11578 0.18743 63 6 H 1S 0.01228 -0.02561 0.00303 -0.04306 -0.02281 64 2S 0.01413 -0.02480 0.01689 -0.08409 -0.04849 65 7 C 1S -0.00147 0.00123 -0.00411 0.00076 -0.00342 66 2S 0.00106 -0.00455 0.01445 -0.00061 0.01439 67 2PX 0.00434 -0.01454 0.01847 -0.00451 0.02131 68 2PY -0.00049 0.00143 -0.00664 0.00325 -0.00218 69 2PZ 0.00469 -0.01529 0.00157 -0.00047 0.01565 70 3S 0.00628 0.00377 0.02069 -0.00928 -0.00713 71 3PX 0.00386 -0.01646 0.02050 -0.00477 0.03438 72 3PY -0.00121 0.01053 0.00788 -0.00272 -0.01736 73 3PZ 0.00700 -0.00537 0.00982 -0.00210 -0.00169 74 4XX -0.00017 0.00025 -0.00359 0.00040 -0.00053 75 4YY -0.00029 -0.00008 0.00185 0.00028 0.00138 76 4ZZ -0.00095 0.00042 -0.00117 0.00018 -0.00155 77 4XY 0.00007 0.00026 0.00515 -0.00108 0.00182 78 4XZ -0.00034 0.00041 -0.00639 0.00051 -0.00302 79 4YZ -0.00007 0.00025 0.00503 -0.00085 0.00227 80 8 C 1S -0.00081 0.00203 -0.00962 0.00215 -0.00592 81 2S 0.00108 -0.00181 0.02495 -0.00412 0.01178 82 2PX 0.00283 -0.00629 0.07961 -0.01585 0.04181 83 2PY -0.00030 0.00018 0.00868 -0.00475 0.00047 84 2PZ 0.00256 -0.00486 0.07391 -0.01328 0.03684 85 3S 0.00322 -0.01717 0.02583 -0.00653 0.04043 86 3PX 0.00175 -0.00019 0.07628 -0.02019 0.03052 87 3PY -0.00071 0.00701 0.03391 -0.00773 0.00100 88 3PZ 0.00133 -0.00757 0.04357 -0.00502 0.03446 89 4XX -0.00011 0.00030 0.00113 -0.00025 0.00034 90 4YY -0.00013 0.00012 0.00060 0.00051 0.00067 91 4ZZ -0.00033 0.00043 -0.00323 0.00056 -0.00212 92 4XY -0.00019 0.00064 -0.00062 0.00022 -0.00096 93 4XZ -0.00001 0.00032 -0.00079 -0.00004 -0.00078 94 4YZ -0.00005 0.00062 0.00010 0.00000 -0.00077 95 9 H 1S -0.00834 0.01853 0.00154 0.03521 -0.00164 96 2S -0.01169 0.02553 -0.00348 0.06912 -0.01169 97 10 H 1S 0.01202 -0.02505 0.00096 0.03529 0.02659 98 2S 0.01331 -0.02557 0.00975 0.07177 0.04541 99 11 C 1S -0.00268 0.00518 0.00449 0.00369 -0.00385 100 2S 0.00477 -0.00902 -0.01318 -0.00692 0.00530 101 2PX -0.00575 0.00900 0.01475 0.01711 -0.00024 102 2PY -0.00392 0.00924 -0.01091 -0.01170 -0.02809 103 2PZ 0.00545 -0.01011 -0.01766 -0.01848 -0.00080 104 3S 0.01276 -0.02471 -0.01193 -0.02744 0.02149 105 3PX -0.00401 0.00652 0.00232 0.02113 0.00157 106 3PY -0.00322 0.00783 -0.02237 -0.00753 -0.02812 107 3PZ 0.00300 -0.00543 0.00004 -0.01412 0.00023 108 4XX -0.00003 0.00016 0.00104 -0.00096 0.00004 109 4YY -0.00013 0.00028 -0.00171 0.00189 0.00034 110 4ZZ -0.00007 -0.00015 0.00005 -0.00125 -0.00056 111 4XY 0.00012 -0.00054 0.00063 -0.00033 0.00079 112 4XZ -0.00034 0.00061 0.00073 0.00126 0.00052 113 4YZ -0.00016 0.00069 0.00022 -0.00093 -0.00099 114 12 H 1S -0.00055 0.00024 -0.00220 0.00239 -0.00167 115 2S -0.00112 0.00004 0.00424 0.00404 0.00328 116 13 H 1S -0.00129 0.00194 0.00672 -0.00025 -0.00058 117 2S -0.00201 0.00358 0.02593 -0.00482 0.00549 118 14 C 1S -0.00306 0.00583 0.00800 -0.00176 -0.01006 119 2S 0.00645 -0.01548 -0.01868 0.00610 0.02653 120 2PX -0.00664 0.01796 -0.01459 -0.00154 -0.04034 121 2PY -0.00145 0.00334 0.00706 0.00385 -0.00505 122 2PZ 0.01299 -0.03365 -0.02312 0.01219 0.03950 123 3S 0.00807 -0.01543 -0.07165 -0.00866 0.03254 124 3PX -0.00507 0.01254 -0.00726 0.01113 -0.03981 125 3PY -0.00350 0.00783 0.01742 0.00438 -0.01674 126 3PZ 0.00772 -0.01716 -0.00500 0.00144 0.02931 127 4XX 0.00040 -0.00111 -0.00870 0.00081 -0.00240 128 4YY 0.00066 -0.00161 -0.00031 0.00172 0.00373 129 4ZZ -0.00193 0.00383 0.00968 -0.00408 -0.00456 130 4XY 0.00036 -0.00095 0.00075 0.00158 0.00273 131 4XZ 0.00028 -0.00057 -0.00042 0.00099 0.00335 132 4YZ -0.00043 0.00131 -0.00133 -0.00070 -0.00275 133 15 H 1S -0.00765 0.01861 0.02816 -0.01506 -0.01740 134 2S -0.01117 0.02682 0.07206 -0.02253 -0.02836 135 16 H 1S 0.00146 -0.00211 -0.03905 0.00246 -0.01315 136 2S 0.00149 -0.00233 -0.03687 -0.00133 -0.01424 137 17 H 1S -0.00026 -0.00090 -0.01476 0.00167 -0.00642 138 2S -0.00046 -0.00318 -0.04093 0.01069 -0.01043 139 18 H 1S -0.00109 0.00302 0.02316 -0.00384 0.00499 140 2S -0.00149 0.00769 0.03343 -0.00293 -0.00291 141 19 O 1S -0.00016 0.00196 -0.00628 -0.00032 -0.00258 142 2S 0.00099 -0.00335 0.01491 0.00050 0.00319 143 2PX 0.00076 -0.01200 0.02456 0.00146 0.00916 144 2PY 0.00049 -0.00001 0.00756 -0.00365 0.00455 145 2PZ -0.00063 -0.01548 0.01403 0.00533 -0.00171 146 3S -0.00251 -0.00867 0.03775 0.00003 0.02600 147 3PX -0.00044 -0.00850 0.01225 0.00192 0.00781 148 3PY -0.00028 -0.00156 0.01626 -0.00301 0.01028 149 3PZ -0.00024 -0.00918 0.00683 0.00427 -0.00549 150 4XX 0.00010 -0.00042 -0.00075 0.00008 -0.00040 151 4YY -0.00004 0.00018 0.00183 -0.00015 -0.00016 152 4ZZ -0.00011 0.00126 -0.00155 -0.00018 -0.00168 153 4XY 0.00000 -0.00055 0.00050 0.00025 0.00059 154 4XZ -0.00013 0.00040 -0.00269 0.00003 -0.00094 155 4YZ 0.00002 -0.00061 0.00133 0.00015 0.00007 156 20 O 1S 0.00017 -0.00032 0.00064 0.00007 0.00055 157 2S 0.00030 -0.00040 -0.00314 0.00067 -0.00034 158 2PX -0.00062 -0.00050 -0.02006 0.00058 -0.01189 159 2PY -0.00034 0.00148 -0.00166 0.00222 0.00109 160 2PZ -0.00118 0.00070 -0.02970 0.00332 -0.01573 161 3S -0.00277 0.00563 0.00737 -0.00386 -0.00662 162 3PX -0.00096 0.00147 -0.01782 0.00060 -0.01388 163 3PY 0.00088 -0.00020 -0.00989 0.00307 -0.00115 164 3PZ -0.00123 0.00051 -0.03368 0.00485 -0.01599 165 4XX 0.00038 -0.00036 0.00242 -0.00028 0.00143 166 4YY 0.00014 -0.00032 0.00037 0.00024 0.00065 167 4ZZ 0.00034 -0.00016 -0.00314 0.00064 -0.00098 168 4XY 0.00004 -0.00003 0.00089 -0.00007 0.00058 169 4XZ 0.00003 -0.00005 -0.00067 0.00015 -0.00021 170 4YZ 0.00007 0.00007 0.00048 -0.00010 0.00010 171 21 C 1S -0.00021 0.00037 -0.00255 0.00074 -0.00130 172 2S 0.00045 -0.00093 0.01070 -0.00231 0.00345 173 2PX 0.00019 0.00090 0.00183 -0.00183 -0.00043 174 2PY -0.00002 -0.00104 0.01261 -0.00063 0.00513 175 2PZ 0.00044 0.00038 0.00406 0.00065 -0.00103 176 3S 0.00163 -0.00175 0.00663 -0.00142 0.00527 177 3PX 0.00074 -0.00010 -0.02492 0.00074 -0.00664 178 3PY 0.00013 -0.00005 0.01587 -0.00147 0.00357 179 3PZ 0.00020 -0.00051 0.00433 0.00234 -0.00296 180 4XX -0.00009 -0.00044 -0.00044 0.00025 -0.00041 181 4YY 0.00010 0.00015 -0.00024 0.00000 -0.00017 182 4ZZ -0.00004 0.00045 -0.00040 0.00004 -0.00036 183 4XY 0.00002 0.00011 -0.00120 0.00009 -0.00047 184 4XZ -0.00017 -0.00039 -0.00042 0.00028 -0.00030 185 4YZ 0.00001 0.00058 -0.00206 -0.00005 -0.00072 186 22 H 1S 0.00050 0.00107 0.00436 -0.00073 0.00111 187 2S 0.00031 0.00288 -0.01399 -0.00266 -0.00045 188 23 H 1S -0.00043 -0.00223 -0.00288 0.00129 -0.00121 189 2S -0.00064 -0.00290 -0.02267 0.00476 -0.01121 6 7 8 9 10 6 3S 0.23665 7 3PX 0.00653 0.14682 8 3PY 0.00804 -0.02135 0.05806 9 3PZ 0.02201 0.04331 -0.01311 0.05818 10 4XX -0.00858 0.00095 -0.00047 0.00024 0.00073 11 4YY -0.00280 0.00121 0.00303 0.00086 0.00012 12 4ZZ 0.00017 -0.00369 -0.00273 -0.00118 0.00023 13 4XY 0.00508 0.00039 0.00047 0.00152 -0.00013 14 4XZ -0.00603 -0.00244 0.00263 -0.00329 0.00011 15 4YZ -0.00535 0.00323 -0.00013 -0.00261 -0.00002 16 2 C 1S 0.00947 0.00716 0.00664 0.00572 0.00197 17 2S 0.01599 -0.00750 -0.01372 -0.03329 -0.00391 18 2PX -0.01396 0.12105 -0.00595 0.06024 0.00460 19 2PY 0.09103 -0.02349 0.00958 -0.05154 -0.00268 20 2PZ 0.06289 0.07217 -0.08827 -0.01036 -0.00489 21 3S -0.02057 -0.01949 -0.00712 -0.03123 -0.00338 22 3PX -0.00534 0.08767 -0.01720 0.03953 0.00206 23 3PY 0.01666 -0.01808 0.00191 -0.01564 -0.00127 24 3PZ 0.00407 0.04372 -0.04173 0.00712 -0.00047 25 4XX -0.00163 -0.00328 0.00219 0.00056 0.00031 26 4YY -0.00546 -0.00019 0.00297 0.00071 -0.00004 27 4ZZ 0.00806 0.00416 -0.00397 0.00238 -0.00013 28 4XY -0.00182 0.00308 0.00027 0.00168 0.00014 29 4XZ -0.00125 0.00835 -0.00080 0.00240 0.00008 30 4YZ 0.00542 0.00080 -0.00011 -0.00183 -0.00041 31 3 C 1S -0.00220 -0.00079 0.00504 0.00764 -0.00014 32 2S -0.01800 -0.00485 -0.01555 -0.00396 0.00036 33 2PX 0.00516 -0.02906 0.01319 -0.01655 -0.00090 34 2PY 0.08498 -0.00006 0.04884 0.00309 -0.00028 35 2PZ 0.04253 0.00316 0.01169 -0.04323 -0.00089 36 3S -0.00699 -0.00547 -0.01195 0.00647 0.00071 37 3PX 0.02003 -0.02960 0.02142 -0.02113 -0.00118 38 3PY 0.02323 0.00540 0.00733 0.00345 0.00002 39 3PZ 0.02045 -0.01332 0.00760 -0.02030 -0.00014 40 4XX -0.00182 0.00032 -0.00178 0.00101 0.00010 41 4YY 0.00642 -0.00066 0.00506 -0.00003 -0.00018 42 4ZZ -0.00234 0.00170 -0.00134 -0.00003 0.00002 43 4XY 0.00039 -0.00147 0.00021 -0.00093 -0.00005 44 4XZ 0.00340 0.00530 0.00078 0.00191 -0.00005 45 4YZ -0.00410 -0.00031 -0.00249 0.00173 0.00019 46 4 C 1S -0.00528 -0.00336 -0.01369 0.00238 0.00227 47 2S 0.03319 0.00532 0.04243 -0.01063 -0.00499 48 2PX 0.06258 0.10963 0.01075 0.02031 -0.00126 49 2PY -0.12722 0.00901 -0.09233 -0.02060 0.00696 50 2PZ -0.01568 0.03494 0.00474 0.04579 0.00064 51 3S -0.00851 0.03448 0.01715 0.00084 -0.00356 52 3PX 0.03448 0.07523 0.00230 0.01981 -0.00082 53 3PY -0.01714 -0.00229 -0.01732 -0.01293 0.00164 54 3PZ 0.00083 0.01981 0.01293 0.01830 0.00020 55 4XX -0.00356 -0.00081 -0.00164 0.00021 0.00030 56 4YY 0.01149 -0.00057 0.00273 0.00085 -0.00045 57 4ZZ -0.00851 0.00037 -0.00483 0.00040 0.00033 58 4XY 0.00172 -0.00840 0.00184 -0.00254 -0.00007 59 4XZ 0.00212 0.00081 0.00050 0.00078 0.00002 60 4YZ -0.00433 -0.00212 -0.00016 -0.00298 -0.00010 61 5 H 1S 0.11163 -0.03751 -0.03856 0.06087 -0.00203 62 2S 0.05136 -0.03641 -0.02570 0.04161 0.00088 63 6 H 1S -0.06018 -0.00165 -0.01990 0.00236 0.00081 64 2S -0.06560 0.00208 -0.03591 0.00209 0.00147 65 7 C 1S 0.00180 -0.00602 0.00355 -0.00326 -0.00073 66 2S -0.00136 0.01485 -0.00374 0.01037 0.00068 67 2PX 0.02215 0.02982 0.00268 0.00666 -0.00075 68 2PY -0.01123 -0.01357 0.00680 -0.00130 -0.00005 69 2PZ 0.00471 0.01379 0.00870 0.01234 -0.00027 70 3S 0.00523 0.02068 -0.00411 0.01025 0.00014 71 3PX 0.01598 0.02877 0.00352 0.01176 0.00002 72 3PY 0.00057 -0.00180 -0.00221 -0.00331 -0.00001 73 3PZ 0.00406 0.01373 0.00167 0.00581 -0.00049 74 4XX -0.00201 -0.00155 0.00031 0.00088 -0.00008 75 4YY -0.00025 0.00116 -0.00011 0.00057 0.00000 76 4ZZ 0.00264 -0.00164 0.00033 -0.00229 0.00003 77 4XY -0.00148 0.00406 -0.00142 0.00286 0.00001 78 4XZ -0.00013 -0.00434 0.00108 -0.00204 -0.00014 79 4YZ 0.00005 0.00456 -0.00177 0.00225 0.00004 80 8 C 1S 0.00054 -0.00684 0.00000 -0.00510 -0.00013 81 2S 0.00015 0.01759 -0.00211 0.00931 0.00020 82 2PX -0.01600 0.06940 -0.02336 0.04609 0.00029 83 2PY 0.01386 0.01266 -0.00347 0.00076 -0.00023 84 2PZ -0.01086 0.06698 -0.02405 0.03743 0.00057 85 3S -0.01583 0.02583 -0.00756 0.02020 0.00058 86 3PX -0.01134 0.06199 -0.02273 0.03711 0.00019 87 3PY 0.00543 0.02751 -0.00858 0.01205 0.00002 88 3PZ -0.00496 0.04224 -0.01208 0.02568 0.00055 89 4XX -0.00046 0.00154 -0.00065 0.00092 0.00000 90 4YY 0.00001 0.00039 0.00041 0.00063 0.00001 91 4ZZ 0.00080 -0.00298 0.00042 -0.00198 -0.00004 92 4XY -0.00111 -0.00146 -0.00024 -0.00013 0.00005 93 4XZ -0.00195 -0.00054 -0.00065 0.00062 0.00002 94 4YZ -0.00064 -0.00051 -0.00063 -0.00050 0.00004 95 9 H 1S 0.05321 -0.00062 0.03275 0.00183 -0.00046 96 2S 0.05940 -0.00551 0.04660 -0.00343 -0.00112 97 10 H 1S -0.05395 0.00252 0.00018 0.01405 -0.00033 98 2S -0.05132 0.00957 0.00649 0.02119 0.00003 99 11 C 1S 0.01311 0.00380 0.00348 -0.00236 -0.00035 100 2S -0.02268 -0.00985 -0.00517 0.00299 0.00054 101 2PX 0.06530 0.02459 0.01162 -0.01822 -0.00036 102 2PY 0.01719 -0.01252 -0.00779 -0.01601 0.00008 103 2PZ -0.04682 -0.01384 -0.02513 0.00412 0.00076 104 3S -0.06191 -0.01099 -0.02381 0.01168 0.00171 105 3PX 0.03593 0.00871 0.01073 -0.01061 -0.00035 106 3PY 0.01390 -0.01969 0.00107 -0.01567 -0.00007 107 3PZ -0.02411 -0.00261 -0.01506 0.00319 0.00046 108 4XX -0.00046 0.00163 -0.00205 0.00065 0.00006 109 4YY 0.00085 -0.00143 0.00180 0.00018 0.00000 110 4ZZ 0.00166 -0.00045 0.00058 -0.00151 -0.00007 111 4XY 0.00174 0.00133 0.00012 -0.00093 0.00001 112 4XZ 0.00292 0.00088 0.00124 -0.00014 -0.00001 113 4YZ 0.00025 0.00013 -0.00139 -0.00026 -0.00005 114 12 H 1S 0.01612 -0.00419 0.01296 -0.00567 -0.00017 115 2S 0.02477 0.00014 0.01710 -0.00732 -0.00039 116 13 H 1S 0.02356 0.01370 -0.00497 -0.00836 0.00027 117 2S 0.02297 0.02956 -0.00938 0.00073 0.00023 118 14 C 1S 0.00444 0.00641 -0.00522 -0.00358 -0.00080 119 2S -0.01031 -0.01375 0.00969 0.00673 0.00130 120 2PX -0.01306 -0.02222 -0.01513 0.00044 -0.00055 121 2PY -0.01033 0.00644 0.00585 0.00697 -0.00089 122 2PZ -0.02963 -0.01984 0.03845 0.01134 0.00258 123 3S 0.01325 -0.04951 0.02283 -0.00728 0.00150 124 3PX -0.00856 -0.01467 -0.00355 -0.00516 -0.00067 125 3PY 0.00847 0.01147 0.00722 0.00016 -0.00085 126 3PZ -0.00547 -0.00461 0.01771 0.00544 0.00143 127 4XX -0.00076 -0.00586 0.00178 -0.00163 -0.00001 128 4YY -0.00258 0.00027 0.00013 0.00133 0.00005 129 4ZZ 0.00336 0.00567 -0.00314 -0.00042 -0.00011 130 4XY 0.00144 0.00150 0.00105 -0.00007 0.00001 131 4XZ -0.00060 0.00016 -0.00100 0.00128 0.00005 132 4YZ 0.00064 -0.00078 -0.00167 -0.00106 -0.00009 133 15 H 1S 0.02092 0.01982 -0.02578 -0.00544 -0.00086 134 2S 0.02507 0.04660 -0.03336 -0.00233 -0.00103 135 16 H 1S -0.01502 -0.03448 0.00226 -0.00080 0.00050 136 2S -0.01376 -0.02833 0.00082 -0.00005 0.00001 137 17 H 1S 0.00977 -0.01278 0.00786 -0.00834 -0.00030 138 2S 0.01500 -0.03174 0.01639 -0.01833 -0.00041 139 18 H 1S 0.00796 0.01781 -0.01074 0.00167 0.00048 140 2S 0.00756 0.02038 -0.01380 0.00013 0.00043 141 19 O 1S 0.00144 -0.00170 -0.00117 -0.00120 0.00003 142 2S -0.00728 0.00501 0.00105 0.00429 0.00029 143 2PX 0.02296 0.00606 0.00432 -0.01172 0.00189 144 2PY 0.00489 0.01113 -0.00434 0.00846 0.00082 145 2PZ 0.05106 -0.00745 0.01535 -0.03939 0.00109 146 3S -0.00296 0.01932 0.00177 0.00850 0.00056 147 3PX 0.01867 -0.00007 0.00418 -0.01153 0.00131 148 3PY 0.00433 0.01577 -0.00375 0.00898 0.00067 149 3PZ 0.03327 -0.00944 0.01008 -0.02901 0.00086 150 4XX 0.00091 -0.00020 0.00041 -0.00044 -0.00003 151 4YY 0.00034 0.00150 -0.00035 0.00067 0.00004 152 4ZZ -0.00145 -0.00106 -0.00060 0.00020 -0.00004 153 4XY 0.00080 -0.00012 0.00034 -0.00044 0.00009 154 4XZ 0.00037 -0.00182 0.00029 -0.00077 -0.00007 155 4YZ 0.00217 0.00051 0.00048 -0.00129 0.00002 156 20 O 1S -0.00149 0.00036 0.00011 0.00205 0.00009 157 2S 0.00641 -0.00155 0.00105 -0.00568 -0.00030 158 2PX 0.00853 -0.02169 0.00218 -0.01802 0.00010 159 2PY -0.00834 -0.00125 0.00103 0.00503 0.00007 160 2PZ -0.01135 -0.03541 -0.00042 -0.01214 -0.00015 161 3S 0.00587 0.00152 -0.00014 -0.00464 -0.00071 162 3PX 0.00558 -0.02050 0.00226 -0.01528 0.00000 163 3PY -0.00721 -0.00685 0.00142 0.00110 0.00011 164 3PZ -0.00620 -0.03489 0.00287 -0.01449 -0.00016 165 4XX -0.00044 0.00213 -0.00082 0.00124 0.00003 166 4YY 0.00061 0.00047 0.00010 0.00001 0.00001 167 4ZZ -0.00001 -0.00210 0.00084 -0.00107 -0.00001 168 4XY -0.00006 0.00107 -0.00008 0.00071 -0.00001 169 4XZ -0.00034 -0.00041 -0.00016 -0.00001 0.00000 170 4YZ 0.00041 0.00051 0.00018 -0.00003 0.00001 171 21 C 1S 0.00094 -0.00300 0.00022 -0.00183 -0.00009 172 2S 0.00127 0.01040 -0.00173 0.00465 0.00005 173 2PX 0.00187 0.00523 -0.00230 0.00312 0.00001 174 2PY -0.00091 0.00693 -0.00236 0.00256 0.00017 175 2PZ -0.00741 0.00285 0.00161 0.00213 0.00037 176 3S 0.00125 0.00936 -0.00196 0.00541 0.00004 177 3PX 0.00035 -0.01783 0.00139 -0.00727 0.00007 178 3PY -0.00330 0.00998 -0.00365 0.00533 0.00030 179 3PZ 0.00190 -0.00053 0.00216 -0.00403 0.00023 180 4XX 0.00161 -0.00123 0.00034 -0.00156 0.00007 181 4YY -0.00058 0.00008 -0.00009 0.00036 -0.00007 182 4ZZ -0.00114 0.00004 -0.00003 0.00055 0.00000 183 4XY -0.00034 -0.00088 -0.00002 -0.00038 -0.00005 184 4XZ 0.00144 -0.00114 0.00035 -0.00147 0.00000 185 4YZ -0.00193 -0.00131 -0.00034 0.00071 -0.00005 186 22 H 1S -0.00791 0.00601 -0.00032 0.00599 0.00017 187 2S -0.01359 -0.00451 -0.00105 0.00646 0.00001 188 23 H 1S 0.00698 -0.00700 0.00194 -0.00765 0.00009 189 2S 0.01046 -0.02740 0.00600 -0.02104 0.00027 11 12 13 14 15 11 4YY 0.00115 12 4ZZ -0.00055 0.00110 13 4XY -0.00010 0.00021 0.00077 14 4XZ 0.00028 -0.00017 -0.00002 0.00070 15 4YZ 0.00006 -0.00015 -0.00032 0.00039 0.00134 16 2 C 1S 0.00121 -0.00362 0.00128 0.00125 -0.00482 17 2S -0.00333 0.00683 -0.00250 -0.00243 0.00896 18 2PX 0.00045 -0.00425 -0.00552 -0.00985 -0.00406 19 2PY -0.01327 0.00905 0.00056 -0.00317 -0.00231 20 2PZ -0.00353 -0.00331 -0.00434 -0.00244 0.00890 21 3S -0.00245 0.00651 -0.00289 0.00010 0.01073 22 3PX 0.00142 -0.00442 -0.00489 -0.00561 -0.00132 23 3PY -0.00390 0.00289 -0.00013 0.00002 -0.00060 24 3PZ -0.00120 -0.00262 -0.00337 -0.00237 0.00332 25 4XX -0.00012 0.00007 0.00022 0.00014 -0.00052 26 4YY 0.00096 -0.00069 -0.00013 0.00045 0.00038 27 4ZZ -0.00047 0.00016 0.00017 -0.00046 -0.00038 28 4XY 0.00005 -0.00002 0.00001 -0.00021 0.00005 29 4XZ 0.00026 -0.00040 0.00009 0.00017 0.00030 30 4YZ 0.00008 -0.00031 -0.00014 0.00007 0.00039 31 3 C 1S -0.00101 -0.00001 -0.00018 0.00027 0.00211 32 2S 0.00208 -0.00008 0.00030 -0.00062 -0.00444 33 2PX -0.00238 0.00204 0.00905 0.00203 0.00466 34 2PY -0.00429 0.00059 0.00091 0.00086 0.00633 35 2PZ 0.00262 0.00258 0.00719 -0.00004 -0.00605 36 3S 0.00177 0.00061 0.00033 -0.00094 -0.00699 37 3PX -0.00133 0.00192 0.00702 0.00233 0.00236 38 3PY -0.00120 -0.00061 0.00063 0.00008 0.00322 39 3PZ -0.00025 0.00243 0.00475 -0.00025 -0.00245 40 4XX -0.00014 0.00001 -0.00025 -0.00002 0.00016 41 4YY -0.00003 -0.00025 -0.00002 0.00012 0.00015 42 4ZZ 0.00017 0.00009 0.00023 0.00001 0.00012 43 4XY 0.00007 0.00001 -0.00017 0.00005 -0.00015 44 4XZ -0.00008 0.00001 0.00047 0.00007 0.00009 45 4YZ -0.00038 0.00028 -0.00009 -0.00005 0.00029 46 4 C 1S -0.00698 0.00297 0.00005 -0.00043 -0.00025 47 2S 0.01226 -0.00672 -0.00010 0.00120 -0.00026 48 2PX -0.00002 -0.00035 0.01330 0.00055 -0.00001 49 2PY -0.00598 0.01109 0.00062 -0.00204 0.00121 50 2PZ -0.00110 -0.00034 -0.00048 0.00042 0.01310 51 3S 0.01149 -0.00851 -0.00173 0.00212 0.00433 52 3PX -0.00057 0.00037 0.00840 0.00081 0.00212 53 3PY -0.00273 0.00483 0.00185 -0.00050 -0.00016 54 3PZ 0.00085 0.00041 0.00254 0.00078 0.00298 55 4XX -0.00045 0.00033 0.00007 0.00002 0.00010 56 4YY -0.00015 -0.00011 0.00013 -0.00013 0.00006 57 4ZZ -0.00011 0.00033 -0.00030 -0.00007 -0.00003 58 4XY -0.00013 0.00030 0.00034 0.00017 -0.00044 59 4XZ -0.00013 -0.00007 -0.00017 0.00000 -0.00026 60 4YZ -0.00007 0.00003 -0.00044 0.00026 0.00091 61 5 H 1S -0.00398 0.00567 0.00596 -0.00814 -0.01198 62 2S -0.00348 0.00600 0.00552 -0.00607 -0.01152 63 6 H 1S 0.00186 0.00087 -0.00413 0.00003 0.00776 64 2S -0.00152 0.00200 -0.00450 -0.00047 0.00806 65 7 C 1S -0.00019 -0.00079 -0.00064 -0.00042 -0.00008 66 2S -0.00014 0.00054 0.00110 0.00088 0.00014 67 2PX -0.00203 0.00379 0.00483 0.00371 0.00084 68 2PY 0.00055 -0.00138 -0.00092 -0.00057 -0.00005 69 2PZ -0.00171 0.00331 0.00453 0.00410 0.00075 70 3S -0.00167 0.00223 0.00139 0.00138 0.00157 71 3PX -0.00135 0.00275 0.00429 0.00247 -0.00007 72 3PY -0.00028 -0.00112 -0.00220 -0.00125 0.00037 73 3PZ -0.00116 0.00202 0.00254 0.00261 0.00142 74 4XX 0.00002 0.00034 0.00016 0.00009 -0.00004 75 4YY 0.00008 -0.00010 -0.00001 -0.00003 0.00002 76 4ZZ -0.00005 -0.00020 -0.00016 -0.00007 -0.00003 77 4XY -0.00003 0.00001 -0.00002 -0.00001 -0.00002 78 4XZ -0.00004 0.00024 0.00009 0.00012 -0.00001 79 4YZ 0.00001 0.00005 -0.00005 -0.00003 -0.00003 80 8 C 1S -0.00010 0.00004 0.00000 -0.00007 0.00005 81 2S 0.00011 -0.00016 0.00028 0.00010 0.00032 82 2PX -0.00035 0.00074 0.00042 0.00113 -0.00001 83 2PY -0.00051 0.00118 0.00071 0.00026 0.00007 84 2PZ -0.00016 0.00058 -0.00046 0.00087 -0.00003 85 3S 0.00130 -0.00033 0.00078 0.00070 -0.00103 86 3PX -0.00030 0.00036 0.00031 0.00039 0.00091 87 3PY -0.00056 0.00039 -0.00069 -0.00028 0.00071 88 3PZ 0.00012 0.00040 0.00021 0.00058 -0.00087 89 4XX 0.00004 0.00008 -0.00016 -0.00003 -0.00005 90 4YY 0.00000 0.00000 0.00008 0.00003 0.00004 91 4ZZ -0.00003 -0.00006 -0.00002 -0.00005 -0.00001 92 4XY 0.00008 -0.00023 -0.00031 -0.00019 -0.00002 93 4XZ 0.00006 -0.00007 -0.00031 -0.00005 -0.00011 94 4YZ 0.00008 -0.00020 -0.00030 -0.00021 -0.00004 95 9 H 1S -0.00128 -0.00063 0.00001 0.00045 0.00187 96 2S -0.00111 -0.00081 0.00060 0.00118 0.00241 97 10 H 1S 0.00812 -0.00390 -0.00110 0.00251 0.00540 98 2S 0.00887 -0.00647 -0.00127 0.00294 0.00316 99 11 C 1S -0.00016 0.00006 0.00019 0.00011 -0.00014 100 2S 0.00029 -0.00012 -0.00042 -0.00015 0.00067 101 2PX 0.00029 -0.00036 -0.00099 -0.00019 -0.00117 102 2PY -0.00184 0.00130 -0.00100 -0.00036 0.00007 103 2PZ -0.00088 0.00025 -0.00074 -0.00048 0.00095 104 3S 0.00200 -0.00190 -0.00316 -0.00127 0.00103 105 3PX 0.00052 -0.00053 -0.00054 -0.00016 -0.00135 106 3PY -0.00223 0.00173 -0.00070 -0.00043 0.00022 107 3PZ -0.00037 -0.00022 -0.00025 -0.00036 0.00098 108 4XX 0.00001 -0.00005 -0.00043 -0.00007 -0.00011 109 4YY -0.00009 0.00003 0.00006 0.00001 0.00010 110 4ZZ 0.00003 0.00008 0.00040 0.00004 -0.00011 111 4XY -0.00007 0.00016 -0.00004 -0.00014 -0.00020 112 4XZ -0.00004 0.00002 0.00000 0.00002 0.00009 113 4YZ 0.00002 -0.00011 0.00006 0.00013 0.00019 114 12 H 1S 0.00009 0.00061 0.00118 0.00007 -0.00062 115 2S -0.00011 0.00099 0.00307 0.00015 -0.00105 116 13 H 1S -0.00023 0.00005 -0.00205 -0.00071 -0.00073 117 2S -0.00045 0.00039 -0.00214 -0.00074 -0.00096 118 14 C 1S 0.00084 -0.00123 0.00009 0.00097 0.00088 119 2S -0.00166 0.00202 -0.00010 -0.00212 -0.00188 120 2PX 0.00297 -0.00498 0.00083 0.00441 0.00294 121 2PY 0.00122 -0.00142 0.00141 0.00173 0.00218 122 2PZ -0.00318 0.00489 -0.00066 -0.00494 -0.00270 123 3S -0.00463 0.00425 0.00151 -0.00276 -0.00347 124 3PX 0.00173 -0.00267 -0.00011 0.00257 0.00249 125 3PY -0.00016 -0.00012 0.00119 0.00113 0.00223 126 3PZ -0.00177 0.00200 0.00006 -0.00265 -0.00177 127 4XX -0.00013 0.00034 0.00024 0.00028 -0.00002 128 4YY 0.00035 -0.00027 -0.00006 0.00006 0.00004 129 4ZZ -0.00012 -0.00016 -0.00026 -0.00023 0.00020 130 4XY 0.00008 0.00007 -0.00006 -0.00010 -0.00004 131 4XZ 0.00025 -0.00033 0.00008 0.00020 -0.00006 132 4YZ -0.00006 -0.00005 0.00005 0.00018 0.00002 133 15 H 1S 0.00025 -0.00164 -0.00076 0.00061 0.00052 134 2S 0.00042 -0.00286 -0.00152 0.00015 0.00176 135 16 H 1S 0.00001 -0.00025 0.00095 0.00152 0.00018 136 2S 0.00008 0.00050 0.00209 0.00261 0.00057 137 17 H 1S -0.00033 0.00053 0.00141 0.00031 0.00024 138 2S -0.00052 0.00087 0.00233 0.00077 -0.00015 139 18 H 1S 0.00024 -0.00076 -0.00114 -0.00097 -0.00011 140 2S 0.00047 -0.00211 -0.00285 -0.00166 0.00013 141 19 O 1S 0.00028 0.00067 0.00019 0.00018 0.00005 142 2S -0.00039 -0.00127 -0.00052 -0.00032 0.00006 143 2PX -0.00082 -0.00346 -0.00193 -0.00084 -0.00022 144 2PY 0.00040 0.00045 -0.00018 0.00034 -0.00009 145 2PZ -0.00148 -0.00451 -0.00238 -0.00090 0.00001 146 3S -0.00028 -0.00241 -0.00047 -0.00121 -0.00080 147 3PX -0.00044 -0.00271 -0.00153 -0.00093 -0.00048 148 3PY 0.00032 0.00014 0.00013 0.00014 -0.00010 149 3PZ -0.00085 -0.00364 -0.00237 -0.00098 0.00000 150 4XX -0.00010 0.00012 0.00017 0.00017 0.00007 151 4YY 0.00003 0.00001 -0.00003 0.00002 0.00007 152 4ZZ 0.00006 0.00005 -0.00013 -0.00009 -0.00001 153 4XY -0.00003 -0.00014 -0.00008 -0.00003 -0.00004 154 4XZ -0.00002 0.00007 0.00003 0.00004 -0.00001 155 4YZ -0.00009 -0.00013 -0.00005 0.00001 0.00001 156 20 O 1S 0.00005 -0.00009 -0.00039 0.00001 -0.00016 157 2S -0.00012 0.00025 0.00091 0.00006 0.00020 158 2PX -0.00069 -0.00045 0.00128 -0.00034 0.00087 159 2PY 0.00036 -0.00042 -0.00035 -0.00013 -0.00017 160 2PZ -0.00069 -0.00152 0.00076 -0.00058 0.00064 161 3S -0.00058 0.00027 0.00184 0.00001 0.00139 162 3PX -0.00055 -0.00055 0.00063 -0.00044 0.00081 163 3PY 0.00039 -0.00036 -0.00066 -0.00009 -0.00040 164 3PZ -0.00043 -0.00104 0.00052 -0.00047 0.00035 165 4XX 0.00000 -0.00003 -0.00005 0.00001 -0.00004 166 4YY 0.00000 0.00003 0.00008 0.00003 -0.00002 167 4ZZ 0.00005 0.00005 -0.00003 0.00001 -0.00007 168 4XY 0.00002 0.00004 -0.00002 0.00001 -0.00004 169 4XZ 0.00001 -0.00003 -0.00012 0.00000 -0.00004 170 4YZ 0.00004 0.00001 -0.00008 -0.00002 -0.00002 171 21 C 1S 0.00002 -0.00012 -0.00007 -0.00017 -0.00003 172 2S -0.00008 0.00036 0.00038 0.00037 0.00012 173 2PX 0.00020 0.00074 0.00013 0.00031 -0.00002 174 2PY -0.00003 -0.00072 -0.00085 -0.00048 -0.00029 175 2PZ 0.00024 -0.00003 0.00004 -0.00002 0.00005 176 3S -0.00007 0.00060 0.00040 0.00059 0.00008 177 3PX -0.00005 0.00013 -0.00075 -0.00012 -0.00037 178 3PY 0.00019 -0.00076 -0.00114 -0.00051 -0.00010 179 3PZ -0.00008 -0.00071 -0.00007 -0.00021 0.00012 180 4XX -0.00006 -0.00019 -0.00006 -0.00005 0.00002 181 4YY 0.00001 0.00006 0.00001 0.00003 -0.00001 182 4ZZ 0.00006 0.00007 -0.00001 0.00000 -0.00002 183 4XY -0.00001 0.00007 0.00009 0.00002 0.00002 184 4XZ -0.00009 -0.00016 -0.00003 -0.00003 0.00001 185 4YZ 0.00002 0.00013 0.00014 0.00003 0.00003 186 22 H 1S 0.00029 0.00050 0.00017 0.00018 -0.00001 187 2S 0.00042 0.00117 -0.00023 0.00015 -0.00039 188 23 H 1S -0.00041 -0.00097 -0.00025 -0.00031 0.00007 189 2S -0.00060 -0.00197 -0.00113 -0.00088 -0.00011 16 17 18 19 20 16 2 C 1S 2.05493 17 2S -0.06108 0.32601 18 2PX 0.00137 0.00135 0.34894 19 2PY 0.00186 0.00372 0.01259 0.41139 20 2PZ -0.00409 0.00570 -0.03323 0.01965 0.39186 21 3S -0.19677 0.28868 -0.04142 -0.00160 0.00462 22 3PX 0.00513 -0.00814 0.20158 -0.02642 0.03981 23 3PY -0.00719 -0.00824 -0.02144 0.13270 0.01205 24 3PZ 0.00797 -0.01693 0.04362 -0.00316 0.16555 25 4XX -0.01165 -0.01268 -0.00008 0.00550 -0.00825 26 4YY -0.01845 0.00165 -0.00442 -0.02175 -0.00238 27 4ZZ -0.01376 -0.00746 0.00382 0.00996 0.00780 28 4XY -0.00144 0.00305 0.00713 -0.00232 -0.00298 29 4XZ 0.00268 -0.00572 0.00067 -0.00586 0.00628 30 4YZ -0.00106 0.00231 -0.00357 0.00095 0.01163 31 3 C 1S -0.00459 0.00658 -0.00371 0.01012 -0.00313 32 2S 0.00658 -0.01954 0.00846 -0.02795 0.01041 33 2PX -0.00371 0.00845 -0.10395 0.02502 -0.03146 34 2PY -0.01012 0.02795 -0.02505 0.03608 -0.01682 35 2PZ -0.00313 0.01042 -0.03147 0.01683 -0.05690 36 3S 0.02759 -0.02935 0.01389 -0.03316 -0.02656 37 3PX -0.00343 0.00831 -0.09452 0.02860 -0.04064 38 3PY -0.01020 0.00626 -0.00785 -0.01048 0.02201 39 3PZ -0.00253 0.00977 -0.02867 0.01664 -0.04661 40 4XX -0.00044 -0.00028 0.00117 -0.00089 0.00130 41 4YY -0.00079 0.00055 -0.00141 0.00117 -0.00177 42 4ZZ -0.00044 -0.00001 -0.00073 -0.00036 0.00002 43 4XY -0.00018 0.00039 -0.00017 0.00082 -0.00109 44 4XZ -0.00002 -0.00048 -0.00135 -0.00009 -0.00096 45 4YZ -0.00037 0.00055 -0.00099 0.00066 0.00217 46 4 C 1S -0.00341 0.00799 -0.00013 0.01143 0.00945 47 2S 0.00805 -0.01931 -0.00049 -0.02690 -0.03038 48 2PX 0.00518 -0.01249 -0.02109 -0.00684 -0.01522 49 2PY -0.01241 0.03302 0.00143 0.03367 0.03576 50 2PZ -0.00307 0.00919 -0.00883 0.00518 0.01474 51 3S -0.00219 -0.01801 0.00517 -0.08499 0.04251 52 3PX -0.00079 -0.00485 -0.02906 0.00004 0.00316 53 3PY -0.00504 0.01555 -0.01320 0.04883 -0.01167 54 3PZ 0.00764 -0.00395 -0.01655 -0.00307 -0.04323 55 4XX -0.00014 0.00036 -0.00090 0.00028 -0.00088 56 4YY -0.00100 0.00207 -0.00238 0.00428 0.00262 57 4ZZ -0.00001 -0.00008 0.00204 -0.00059 0.00258 58 4XY 0.00018 -0.00030 -0.00905 0.00091 -0.00719 59 4XZ 0.00027 -0.00062 0.00203 -0.00086 -0.00005 60 4YZ -0.00211 0.00444 -0.00466 0.00633 0.00605 61 5 H 1S 0.01303 -0.02811 0.00994 -0.00381 -0.04387 62 2S 0.01856 -0.03297 0.02490 0.00038 -0.09601 63 6 H 1S -0.00745 0.01733 0.00072 0.01536 0.03355 64 2S -0.01207 0.02472 0.00395 0.03065 0.06995 65 7 C 1S -0.00178 0.00203 0.01014 -0.00431 0.00361 66 2S 0.00088 -0.01175 -0.01512 0.00318 -0.00712 67 2PX -0.00337 0.00216 -0.09617 0.03273 -0.05343 68 2PY -0.00036 0.00341 0.02838 -0.01780 0.01151 69 2PZ -0.00708 0.00895 -0.08498 0.02216 -0.05579 70 3S 0.01627 -0.00059 -0.03823 0.03809 0.00096 71 3PX 0.00364 -0.00783 -0.05825 0.02307 -0.04995 72 3PY 0.00003 0.00570 0.03775 0.00623 0.02707 73 3PZ 0.00155 0.00701 -0.05985 0.01612 -0.01993 74 4XX -0.00145 0.00260 -0.00450 0.00217 -0.00488 75 4YY -0.00025 -0.00060 0.00146 -0.00225 0.00099 76 4ZZ -0.00002 -0.00077 0.00198 -0.00006 0.00252 77 4XY 0.00060 -0.00158 0.00189 0.00082 0.00154 78 4XZ -0.00108 0.00262 -0.00601 0.00199 -0.00294 79 4YZ 0.00072 -0.00176 0.00142 0.00062 0.00120 80 8 C 1S -0.00087 0.00340 -0.00345 0.00462 -0.00223 81 2S 0.00284 -0.00361 0.00871 -0.00684 0.00600 82 2PX 0.00614 -0.01795 0.00239 -0.00664 0.00500 83 2PY -0.00131 0.00281 -0.01762 0.01472 -0.00875 84 2PZ 0.00598 -0.01530 0.01206 -0.00694 0.00835 85 3S -0.00273 -0.01789 0.00114 -0.04083 -0.00820 86 3PX 0.00469 -0.01285 0.00853 -0.00807 0.02080 87 3PY 0.00257 0.00144 0.01041 0.01209 0.01393 88 3PZ 0.00230 -0.01589 0.00856 -0.00736 -0.00722 89 4XX -0.00010 0.00008 0.00067 0.00035 0.00020 90 4YY 0.00014 -0.00011 -0.00040 -0.00008 -0.00049 91 4ZZ -0.00016 0.00093 0.00007 0.00083 -0.00005 92 4XY 0.00029 -0.00009 0.00546 -0.00217 0.00308 93 4XZ 0.00012 -0.00031 0.00234 -0.00093 0.00171 94 4YZ 0.00042 -0.00030 0.00522 -0.00158 0.00311 95 9 H 1S -0.00248 0.00754 -0.00733 0.00905 -0.00837 96 2S -0.00361 0.01354 -0.02065 0.02463 -0.02719 97 10 H 1S -0.05974 0.11313 -0.03566 -0.26354 -0.01524 98 2S -0.01318 0.02654 -0.02582 -0.24292 0.00119 99 11 C 1S -0.00188 0.00452 0.00258 0.00948 -0.00507 100 2S 0.00482 -0.00915 -0.01152 -0.01815 0.01179 101 2PX -0.00233 0.01074 0.01516 0.00543 -0.01074 102 2PY -0.01008 0.02606 0.02638 0.03534 -0.01527 103 2PZ 0.00332 -0.00979 -0.00895 -0.00623 0.01169 104 3S -0.00249 -0.01275 0.02498 -0.08000 0.03943 105 3PX 0.00056 0.00524 0.01174 0.00077 -0.01384 106 3PY -0.00694 0.02183 0.01114 0.05358 -0.01822 107 3PZ -0.00008 -0.00677 -0.00008 -0.00805 0.01469 108 4XX 0.00016 -0.00042 0.00365 -0.00128 0.00196 109 4YY -0.00049 0.00081 -0.00065 0.00189 -0.00247 110 4ZZ -0.00026 0.00065 -0.00200 0.00081 -0.00116 111 4XY -0.00116 0.00266 0.00330 0.00360 -0.00442 112 4XZ -0.00026 0.00086 0.00015 0.00083 -0.00124 113 4YZ 0.00106 -0.00215 -0.00485 -0.00279 0.00362 114 12 H 1S -0.00412 0.01082 0.00464 0.01090 -0.01587 115 2S -0.00540 0.01200 0.00030 0.02098 -0.02861 116 13 H 1S -0.00199 0.00839 0.02437 0.00438 -0.00381 117 2S -0.00265 0.00790 0.03233 0.01230 -0.00476 118 14 C 1S 0.01244 -0.02357 -0.03606 -0.02998 0.04416 119 2S -0.02396 0.03949 0.07419 0.05503 -0.09015 120 2PX 0.04790 -0.10348 -0.10579 -0.09326 0.15607 121 2PY 0.02376 -0.04950 -0.08847 -0.03190 0.07093 122 2PZ -0.04592 0.09405 0.13903 0.08293 -0.13091 123 3S 0.00574 0.02216 0.05713 0.11781 -0.11981 124 3PX 0.00940 -0.03227 -0.05668 -0.04713 0.07739 125 3PY 0.00508 -0.00885 -0.04983 0.00329 0.03351 126 3PZ -0.00844 0.03021 0.07257 0.04277 -0.05937 127 4XX -0.00124 0.00156 -0.00791 0.00281 -0.00508 128 4YY 0.00066 -0.00218 -0.00159 -0.00988 0.00164 129 4ZZ -0.00153 0.00225 0.00636 0.00273 0.00848 130 4XY -0.00307 0.00570 0.00321 -0.00243 -0.00651 131 4XZ 0.00455 -0.00898 -0.00379 -0.00623 0.00419 132 4YZ 0.00296 -0.00534 -0.00633 0.00254 0.00393 133 15 H 1S 0.00836 -0.01923 -0.00782 -0.00216 0.03479 134 2S 0.01324 -0.02578 0.00586 -0.01065 0.08285 135 16 H 1S 0.00784 -0.02317 -0.02370 -0.00467 0.01466 136 2S 0.01198 -0.02844 -0.06285 -0.00794 0.01757 137 17 H 1S -0.00232 0.00538 -0.01953 0.00854 -0.01188 138 2S -0.00405 0.00722 -0.03566 0.01617 -0.03080 139 18 H 1S 0.00589 -0.01361 0.02038 -0.00124 0.02039 140 2S 0.00655 -0.01226 0.04792 -0.01065 0.04125 141 19 O 1S -0.00086 0.00337 -0.01007 0.00120 -0.00238 142 2S 0.00268 -0.00668 0.02195 -0.00203 0.00742 143 2PX 0.00889 -0.01756 0.06628 -0.01290 0.02472 144 2PY -0.00038 -0.00094 0.00085 -0.00424 0.00146 145 2PZ 0.00866 -0.01316 0.06209 -0.01558 0.02921 146 3S 0.00061 -0.01746 0.05591 -0.00874 0.00523 147 3PX 0.00484 -0.01409 0.05226 -0.01129 0.01698 148 3PY 0.00011 -0.00345 0.00650 -0.00475 0.00072 149 3PZ 0.00749 -0.00983 0.05298 -0.01507 0.02888 150 4XX -0.00003 0.00044 -0.00442 0.00134 -0.00168 151 4YY 0.00025 0.00059 0.00045 -0.00067 0.00094 152 4ZZ 0.00030 0.00092 0.00040 0.00037 0.00115 153 4XY 0.00038 -0.00095 0.00295 -0.00044 0.00067 154 4XZ -0.00027 0.00084 -0.00236 0.00032 -0.00077 155 4YZ 0.00036 -0.00061 0.00133 0.00013 0.00079 156 20 O 1S 0.00002 -0.00146 0.00291 -0.00133 0.00101 157 2S -0.00038 0.00284 -0.00861 0.00304 -0.00527 158 2PX -0.00122 0.00717 -0.00223 0.00519 -0.00202 159 2PY 0.00050 -0.00170 0.00768 -0.00657 0.00397 160 2PZ -0.00102 0.00620 0.00800 -0.00389 0.00418 161 3S 0.00101 0.00705 -0.01490 0.00945 0.00559 162 3PX -0.00035 0.00720 0.00157 0.00442 0.00312 163 3PY 0.00003 -0.00141 0.00584 -0.00675 0.00124 164 3PZ -0.00184 0.00706 0.00302 -0.00182 -0.00072 165 4XX 0.00036 -0.00081 0.00128 -0.00060 0.00032 166 4YY -0.00018 -0.00013 -0.00076 -0.00003 -0.00104 167 4ZZ -0.00033 0.00024 -0.00126 0.00029 -0.00124 168 4XY -0.00006 -0.00026 -0.00034 0.00010 -0.00031 169 4XZ 0.00003 -0.00020 0.00061 -0.00015 0.00021 170 4YZ 0.00003 -0.00005 0.00071 -0.00019 0.00044 171 21 C 1S 0.00027 0.00024 0.00298 -0.00030 0.00114 172 2S -0.00037 -0.00033 -0.00788 0.00138 -0.00187 173 2PX -0.00136 0.00248 -0.01145 0.00154 -0.00334 174 2PY 0.00231 -0.00450 0.02133 -0.00326 0.00770 175 2PZ -0.00019 0.00111 0.00274 -0.00073 0.00114 176 3S -0.00011 -0.00143 -0.01460 0.00083 -0.00543 177 3PX -0.00091 0.00222 -0.00299 0.00133 -0.00394 178 3PY 0.00177 -0.00297 0.02403 -0.00634 0.01165 179 3PZ 0.00031 -0.00114 0.01039 -0.00087 0.00566 180 4XX 0.00038 -0.00037 0.00278 -0.00051 0.00110 181 4YY -0.00008 0.00011 -0.00156 0.00022 -0.00039 182 4ZZ -0.00012 0.00031 -0.00053 0.00017 -0.00010 183 4XY -0.00018 0.00052 -0.00176 0.00062 -0.00084 184 4XZ 0.00032 -0.00043 0.00163 -0.00015 0.00077 185 4YZ -0.00046 0.00087 -0.00279 0.00053 -0.00119 186 22 H 1S -0.00090 0.00132 -0.00532 0.00104 -0.00239 187 2S -0.00194 0.00386 -0.01247 0.00334 -0.00851 188 23 H 1S 0.00153 -0.00249 0.01279 -0.00197 0.00486 189 2S 0.00193 -0.00161 0.02779 -0.00339 0.00985 21 22 23 24 25 21 3S 0.29352 22 3PX -0.03134 0.13460 23 3PY 0.00441 -0.02086 0.05434 24 3PZ -0.02127 0.05105 -0.00138 0.08688 25 4XX -0.01007 -0.00215 0.00209 -0.00292 0.00127 26 4YY 0.00408 -0.00070 -0.00642 -0.00124 -0.00040 27 4ZZ -0.00795 0.00300 0.00273 0.00383 0.00022 28 4XY 0.00191 0.00336 -0.00167 0.00000 -0.00012 29 4XZ -0.00466 0.00247 -0.00207 0.00273 -0.00009 30 4YZ 0.00248 -0.00016 0.00083 0.00367 -0.00033 31 3 C 1S 0.02759 -0.00344 0.01020 -0.00252 -0.00044 32 2S -0.02935 0.00831 -0.00626 0.00977 -0.00028 33 2PX 0.01386 -0.09452 0.00784 -0.02866 0.00117 34 2PY 0.03316 -0.02861 -0.01048 -0.01664 0.00089 35 2PZ -0.02657 -0.04063 -0.02201 -0.04662 0.00130 36 3S -0.04354 0.01188 -0.00696 -0.00803 0.00016 37 3PX 0.01186 -0.08214 0.00689 -0.03537 0.00162 38 3PY 0.00697 -0.00690 -0.01224 0.00961 -0.00008 39 3PZ -0.00803 -0.03536 -0.00961 -0.03040 0.00069 40 4XX 0.00016 0.00162 0.00008 0.00069 0.00004 41 4YY 0.00058 -0.00113 -0.00026 -0.00130 -0.00005 42 4ZZ 0.00039 -0.00100 -0.00042 0.00006 0.00011 43 4XY 0.00050 0.00039 0.00061 -0.00089 0.00008 44 4XZ -0.00045 -0.00136 -0.00046 -0.00148 0.00005 45 4YZ 0.00199 -0.00057 0.00084 0.00190 -0.00002 46 4 C 1S 0.00706 -0.00155 0.00344 0.00614 0.00018 47 2S -0.01923 0.00072 -0.00954 -0.01691 -0.00032 48 2PX -0.03007 -0.03302 -0.01632 -0.02829 0.00004 49 2PY 0.02491 -0.01268 -0.00509 0.02793 0.00146 50 2PZ 0.04788 -0.01350 0.00176 0.01868 0.00054 51 3S -0.00699 0.02003 -0.02323 0.02045 -0.00182 52 3PX -0.00547 -0.02961 -0.00540 -0.01332 0.00031 53 3PY 0.01195 -0.02142 0.00733 -0.00760 0.00178 54 3PZ 0.00648 -0.02114 -0.00345 -0.02031 0.00101 55 4XX 0.00071 -0.00118 -0.00002 -0.00014 0.00010 56 4YY 0.00177 -0.00133 0.00120 -0.00025 -0.00014 57 4ZZ 0.00061 0.00192 0.00061 0.00243 0.00001 58 4XY -0.00034 -0.00702 0.00063 -0.00475 0.00025 59 4XZ -0.00094 0.00233 -0.00008 -0.00025 -0.00002 60 4YZ 0.00699 -0.00236 0.00322 0.00245 -0.00016 61 5 H 1S -0.05137 -0.00537 -0.00706 -0.01816 0.00274 62 2S -0.05570 -0.00627 -0.00967 -0.03605 0.00426 63 6 H 1S 0.03976 0.00069 0.00619 0.02891 -0.00008 64 2S 0.04600 0.00681 0.01434 0.04556 -0.00094 65 7 C 1S 0.00643 -0.00004 -0.00140 0.00539 -0.00117 66 2S -0.00116 -0.00216 0.00541 -0.00889 0.00202 67 2PX -0.00328 -0.06339 0.00957 -0.04567 0.00413 68 2PY 0.00309 0.01665 0.00034 0.02345 -0.00259 69 2PZ 0.03656 -0.06052 0.02168 -0.04285 0.00356 70 3S 0.01384 -0.01593 0.01741 -0.01386 0.00247 71 3PX -0.00397 -0.04197 0.00784 -0.03718 0.00353 72 3PY 0.00071 0.02790 -0.00033 0.02219 -0.00196 73 3PZ 0.01977 -0.03872 0.01251 -0.02313 0.00187 74 4XX 0.00638 -0.00377 0.00275 -0.00391 -0.00016 75 4YY -0.00161 0.00109 -0.00074 0.00119 -0.00007 76 4ZZ -0.00388 0.00146 -0.00224 0.00186 0.00014 77 4XY 0.00038 0.00156 0.00189 0.00098 0.00005 78 4XZ 0.00234 -0.00458 0.00115 -0.00211 -0.00007 79 4YZ -0.00168 0.00232 0.00026 -0.00021 0.00008 80 8 C 1S -0.00191 -0.00291 -0.00119 -0.00259 0.00024 81 2S -0.00263 0.00729 -0.00026 0.00498 -0.00030 82 2PX 0.00497 0.01484 0.01266 -0.00068 0.00127 83 2PY 0.00301 -0.01430 -0.00281 -0.01855 0.00119 84 2PZ -0.00918 0.02573 0.00905 -0.00178 0.00139 85 3S -0.00973 0.00298 -0.00289 -0.00039 0.00013 86 3PX 0.00120 0.01711 0.00775 0.00678 0.00033 87 3PY 0.00634 0.01234 0.00361 0.00139 -0.00014 88 3PZ -0.00800 0.01410 0.00454 -0.00698 0.00142 89 4XX 0.00043 0.00098 0.00086 -0.00015 -0.00003 90 4YY 0.00088 -0.00024 0.00030 -0.00009 0.00002 91 4ZZ -0.00051 -0.00054 -0.00100 -0.00011 0.00000 92 4XY 0.00001 0.00373 -0.00080 0.00275 -0.00022 93 4XZ 0.00077 0.00235 0.00078 0.00178 -0.00009 94 4YZ -0.00202 0.00404 -0.00121 0.00259 -0.00017 95 9 H 1S 0.00683 -0.00885 -0.00887 -0.00707 0.00003 96 2S 0.01579 -0.02052 -0.00300 -0.01990 0.00000 97 10 H 1S 0.11156 -0.00247 -0.08502 -0.01081 -0.00811 98 2S 0.03261 0.00816 -0.07297 0.00332 -0.00547 99 11 C 1S 0.00063 0.00005 0.00297 -0.00497 0.00045 100 2S -0.00690 -0.00390 -0.00873 0.00965 -0.00095 101 2PX -0.01494 0.01466 -0.02169 -0.02705 0.00047 102 2PY 0.02631 0.01498 0.01261 -0.01785 0.00244 103 2PZ -0.01129 -0.00689 0.01256 0.01018 -0.00109 104 3S -0.00945 0.02906 -0.02681 0.03637 -0.00265 105 3PX -0.01044 0.00963 -0.01197 -0.01673 -0.00002 106 3PY 0.01954 0.00004 0.01613 -0.01327 0.00159 107 3PZ -0.00763 -0.00018 0.00304 0.01047 -0.00061 108 4XX -0.00068 0.00402 0.00000 0.00058 -0.00003 109 4YY 0.00049 -0.00173 0.00037 -0.00042 0.00006 110 4ZZ 0.00034 -0.00215 -0.00033 -0.00125 0.00010 111 4XY 0.00074 0.00168 -0.00002 -0.00246 -0.00019 112 4XZ 0.00067 0.00003 -0.00076 -0.00127 0.00006 113 4YZ -0.00239 -0.00205 -0.00053 0.00114 -0.00022 114 12 H 1S 0.01433 -0.00148 -0.00439 -0.00934 0.00148 115 2S 0.01287 -0.01140 -0.00184 -0.01853 0.00239 116 13 H 1S -0.00714 0.02215 -0.00996 -0.01260 -0.00032 117 2S -0.00384 0.02882 -0.00250 -0.01211 -0.00043 118 14 C 1S 0.00108 -0.00169 -0.00483 0.00524 -0.00217 119 2S 0.01380 0.01259 0.01502 -0.01805 0.00325 120 2PX -0.06880 -0.04388 -0.00853 0.05917 0.00835 121 2PY -0.03177 -0.03958 -0.01132 0.02976 -0.00373 122 2PZ 0.09339 0.03896 0.01735 -0.04187 0.00581 123 3S -0.00960 -0.01346 0.02719 -0.03146 0.00542 124 3PX -0.01393 -0.02374 -0.00357 0.02816 0.00303 125 3PY -0.00118 -0.02542 -0.00175 0.00869 -0.00205 126 3PZ 0.02438 0.02246 0.00471 -0.01695 0.00314 127 4XX 0.00362 -0.00668 0.00209 -0.00403 0.00072 128 4YY -0.00155 0.00045 -0.00350 0.00121 -0.00030 129 4ZZ -0.00028 0.00567 0.00007 0.00431 -0.00057 130 4XY 0.00384 0.00178 -0.00226 -0.00329 -0.00043 131 4XZ -0.00794 -0.00103 -0.00120 0.00202 0.00031 132 4YZ -0.00518 -0.00285 0.00178 0.00106 -0.00007 133 15 H 1S -0.03973 0.00861 0.00045 0.01726 -0.00315 134 2S -0.04433 0.02828 -0.00503 0.03715 -0.00458 135 16 H 1S -0.01004 -0.02696 0.01210 0.00690 0.00852 136 2S -0.00441 -0.04470 0.01396 -0.00203 0.00744 137 17 H 1S 0.00796 -0.02138 -0.00249 -0.01045 0.00033 138 2S 0.00730 -0.03645 -0.00298 -0.02163 0.00129 139 18 H 1S -0.02748 0.02254 -0.01068 0.00693 0.00073 140 2S -0.03275 0.04294 -0.01625 0.02356 -0.00068 141 19 O 1S 0.00144 -0.00263 -0.00206 -0.00641 0.00006 142 2S 0.00391 0.00682 0.00694 0.01294 -0.00008 143 2PX -0.04867 0.04551 -0.02805 0.03115 0.00328 144 2PY 0.02110 0.01179 -0.00718 -0.01288 -0.00016 145 2PZ -0.09209 0.03826 -0.05302 0.04297 0.00250 146 3S -0.02042 0.02385 0.00110 0.02508 -0.00019 147 3PX -0.04104 0.03456 -0.02403 0.02364 0.00191 148 3PY 0.00961 0.01157 -0.00612 -0.00743 0.00012 149 3PZ -0.06527 0.03394 -0.03854 0.03638 0.00158 150 4XX 0.00033 -0.00300 0.00034 -0.00159 0.00023 151 4YY 0.00178 0.00115 -0.00060 -0.00051 -0.00007 152 4ZZ 0.00200 0.00059 0.00102 0.00014 -0.00017 153 4XY -0.00204 0.00209 -0.00096 0.00127 0.00014 154 4XZ 0.00053 -0.00173 0.00002 -0.00067 -0.00003 155 4YZ -0.00375 0.00076 -0.00165 0.00120 0.00017 156 20 O 1S 0.00457 0.00208 0.00260 0.00092 -0.00012 157 2S -0.01157 -0.00614 -0.00614 -0.00469 0.00034 158 2PX -0.01281 -0.00674 -0.01517 -0.00523 0.00028 159 2PY 0.00840 0.00805 -0.00076 0.00885 -0.00028 160 2PZ -0.00222 -0.00039 -0.01151 0.00887 -0.00064 161 3S -0.00785 -0.01130 -0.00441 0.00201 -0.00003 162 3PX -0.00781 -0.00337 -0.01144 0.00045 -0.00008 163 3PY 0.00526 0.00639 -0.00116 0.00584 -0.00023 164 3PZ -0.00102 -0.00407 -0.00955 0.00421 -0.00059 165 4XX -0.00078 0.00131 -0.00004 0.00027 0.00006 166 4YY -0.00018 -0.00066 -0.00002 -0.00119 0.00002 167 4ZZ 0.00069 -0.00124 0.00035 -0.00071 -0.00001 168 4XY 0.00056 -0.00016 0.00050 -0.00023 0.00001 169 4XZ -0.00010 0.00064 0.00005 0.00038 0.00001 170 4YZ -0.00019 0.00054 0.00017 0.00034 -0.00004 171 21 C 1S -0.00367 0.00194 -0.00126 0.00180 0.00012 172 2S 0.00582 -0.00377 0.00123 -0.00621 -0.00003 173 2PX 0.01153 -0.00373 0.00221 -0.01195 -0.00057 174 2PY -0.01392 0.01393 0.00028 0.01122 0.00046 175 2PZ 0.00543 0.00371 0.00570 0.00117 -0.00027 176 3S 0.00443 -0.00692 0.00087 -0.00892 0.00036 177 3PX 0.00018 -0.00163 -0.00249 -0.00282 -0.00001 178 3PY -0.00332 0.01832 -0.00133 0.01093 -0.00026 179 3PZ -0.00744 0.00652 -0.00362 0.00588 0.00012 180 4XX -0.00272 0.00166 -0.00214 0.00123 0.00011 181 4YY 0.00080 -0.00111 0.00083 -0.00030 -0.00008 182 4ZZ 0.00178 -0.00018 0.00126 -0.00035 -0.00006 183 4XY -0.00033 -0.00147 0.00048 -0.00065 0.00003 184 4XZ -0.00332 0.00067 -0.00188 0.00154 0.00013 185 4YZ 0.00359 -0.00202 0.00136 -0.00160 -0.00013 186 22 H 1S 0.01209 -0.00158 0.00876 -0.00402 -0.00031 187 2S 0.02083 -0.00651 0.01473 -0.00777 -0.00056 188 23 H 1S -0.01619 0.00530 -0.01053 0.00920 0.00061 189 2S -0.02883 0.01288 -0.01947 0.01837 0.00067 26 27 28 29 30 26 4YY 0.00185 27 4ZZ -0.00083 0.00134 28 4XY 0.00016 -0.00014 0.00038 29 4XZ 0.00034 0.00007 0.00002 0.00090 30 4YZ 0.00008 0.00006 -0.00024 0.00012 0.00071 31 3 C 1S -0.00079 -0.00044 0.00018 -0.00002 0.00037 32 2S 0.00055 -0.00001 -0.00039 -0.00047 -0.00055 33 2PX -0.00141 -0.00073 0.00017 -0.00135 0.00098 34 2PY -0.00117 0.00036 0.00082 0.00009 0.00066 35 2PZ -0.00176 0.00002 0.00109 -0.00096 -0.00217 36 3S 0.00058 0.00039 -0.00050 -0.00045 -0.00199 37 3PX -0.00113 -0.00100 -0.00039 -0.00136 0.00057 38 3PY 0.00026 0.00042 0.00061 0.00046 0.00084 39 3PZ -0.00130 0.00006 0.00089 -0.00148 -0.00190 40 4XX -0.00005 0.00011 -0.00008 0.00005 0.00002 41 4YY 0.00037 -0.00018 0.00010 0.00001 0.00011 42 4ZZ -0.00018 0.00007 0.00000 0.00011 -0.00007 43 4XY -0.00010 0.00000 -0.00018 -0.00011 0.00008 44 4XZ 0.00001 0.00011 0.00011 0.00039 -0.00003 45 4YZ -0.00011 0.00007 0.00008 0.00003 -0.00021 46 4 C 1S -0.00185 0.00103 0.00017 -0.00043 -0.00123 47 2S 0.00428 -0.00218 -0.00048 0.00068 0.00226 48 2PX -0.00018 0.00229 0.00264 0.00707 0.00037 49 2PY -0.00989 0.00349 0.00132 -0.00076 -0.00717 50 2PZ -0.00142 0.00131 0.00153 0.00333 -0.00061 51 3S 0.00641 -0.00234 -0.00040 0.00340 0.00410 52 3PX -0.00066 0.00169 0.00147 0.00530 0.00031 53 3PY -0.00506 0.00134 0.00022 -0.00078 -0.00249 54 3PZ -0.00003 -0.00003 0.00093 0.00191 -0.00173 55 4XX -0.00018 0.00002 0.00005 -0.00005 -0.00020 56 4YY -0.00003 0.00017 -0.00007 -0.00008 0.00038 57 4ZZ -0.00025 0.00009 -0.00001 0.00001 -0.00028 58 4XY 0.00002 -0.00023 -0.00017 -0.00047 -0.00009 59 4XZ 0.00012 0.00001 -0.00005 0.00007 0.00005 60 4YZ -0.00015 -0.00012 -0.00015 -0.00009 0.00029 61 5 H 1S -0.00556 0.00658 0.00010 -0.00402 -0.00406 62 2S -0.00527 0.00407 0.00095 -0.00382 -0.00629 63 6 H 1S -0.00252 0.00052 0.00010 0.00007 -0.00104 64 2S -0.00366 0.00154 0.00001 0.00002 -0.00036 65 7 C 1S 0.00008 -0.00041 0.00011 -0.00101 0.00033 66 2S -0.00132 0.00005 -0.00072 0.00281 -0.00075 67 2PX -0.00200 0.00061 -0.00214 0.00601 -0.00200 68 2PY 0.00199 -0.00069 -0.00057 -0.00293 -0.00008 69 2PZ -0.00090 -0.00119 -0.00182 0.00182 -0.00168 70 3S -0.00286 0.00019 -0.00121 0.00360 -0.00034 71 3PX -0.00204 0.00070 -0.00115 0.00414 -0.00204 72 3PY -0.00003 0.00085 0.00008 -0.00154 0.00065 73 3PZ -0.00072 -0.00039 -0.00128 0.00210 -0.00043 74 4XX 0.00001 -0.00010 0.00002 -0.00029 -0.00009 75 4YY 0.00015 0.00002 0.00001 0.00009 0.00000 76 4ZZ -0.00003 0.00004 0.00003 -0.00001 0.00010 77 4XY -0.00011 0.00014 -0.00001 0.00024 -0.00002 78 4XZ 0.00007 -0.00016 -0.00011 -0.00027 -0.00001 79 4YZ -0.00014 0.00021 -0.00003 0.00044 -0.00005 80 8 C 1S -0.00007 0.00001 0.00027 -0.00049 0.00025 81 2S 0.00036 0.00038 -0.00025 0.00107 -0.00040 82 2PX -0.00064 0.00194 -0.00123 0.00619 -0.00130 83 2PY -0.00103 0.00083 0.00074 0.00141 0.00016 84 2PZ -0.00063 0.00185 -0.00073 0.00555 -0.00105 85 3S 0.00170 0.00004 -0.00048 0.00209 -0.00116 86 3PX -0.00053 0.00198 -0.00048 0.00506 -0.00053 87 3PY -0.00098 0.00133 0.00017 0.00188 0.00013 88 3PZ -0.00051 0.00116 -0.00049 0.00352 -0.00100 89 4XX -0.00004 0.00004 0.00002 0.00011 -0.00003 90 4YY -0.00001 -0.00003 -0.00003 0.00004 -0.00003 91 4ZZ 0.00001 -0.00004 0.00007 -0.00023 0.00008 92 4XY 0.00012 -0.00002 0.00009 -0.00026 0.00010 93 4XZ 0.00006 -0.00003 -0.00008 -0.00006 0.00001 94 4YZ 0.00007 0.00005 0.00009 -0.00011 0.00008 95 9 H 1S 0.00087 -0.00035 0.00061 0.00011 0.00036 96 2S 0.00156 -0.00131 0.00078 -0.00002 0.00046 97 10 H 1S 0.01662 -0.01016 0.00237 0.00185 0.00063 98 2S 0.01575 -0.00812 0.00162 0.00344 0.00083 99 11 C 1S -0.00142 0.00046 -0.00079 -0.00011 0.00080 100 2S 0.00319 -0.00115 0.00142 0.00021 -0.00154 101 2PX -0.00069 0.00134 -0.00048 0.00108 0.00075 102 2PY -0.00808 0.00239 -0.00547 -0.00207 0.00493 103 2PZ 0.00084 -0.00022 0.00059 -0.00078 -0.00059 104 3S 0.00575 -0.00201 0.00197 0.00035 -0.00156 105 3PX 0.00023 0.00031 -0.00015 0.00028 0.00036 106 3PY -0.00556 0.00155 -0.00250 -0.00257 0.00195 107 3PZ 0.00032 0.00032 0.00042 -0.00025 -0.00007 108 4XX -0.00010 0.00014 -0.00020 0.00013 0.00011 109 4YY 0.00009 -0.00005 0.00026 -0.00024 -0.00023 110 4ZZ -0.00023 0.00002 -0.00012 -0.00004 0.00014 111 4XY -0.00016 0.00019 0.00005 -0.00006 -0.00017 112 4XZ -0.00006 0.00004 -0.00001 0.00006 0.00001 113 4YZ 0.00012 0.00025 -0.00011 0.00007 0.00011 114 12 H 1S -0.00152 -0.00049 -0.00075 -0.00039 0.00062 115 2S -0.00248 -0.00056 -0.00054 -0.00038 0.00067 116 13 H 1S -0.00102 0.00150 -0.00086 0.00039 0.00054 117 2S -0.00202 0.00252 -0.00114 0.00119 0.00035 118 14 C 1S 0.00156 -0.00143 -0.00239 0.00437 0.00280 119 2S -0.00345 0.00169 0.00462 -0.00808 -0.00538 120 2PX 0.00282 -0.00375 -0.00337 0.00314 0.00632 121 2PY 0.00945 -0.00316 0.00343 0.00565 -0.00256 122 2PZ -0.00289 -0.00993 0.00554 -0.00345 -0.00441 123 3S -0.00724 0.00263 0.00422 -0.01029 -0.00641 124 3PX 0.00228 -0.00258 -0.00160 0.00109 0.00361 125 3PY 0.00365 -0.00115 0.00156 0.00312 -0.00078 126 3PZ -0.00214 -0.00367 0.00259 -0.00117 -0.00221 127 4XX -0.00025 -0.00050 -0.00023 -0.00024 0.00007 128 4YY 0.00084 -0.00035 0.00017 0.00032 -0.00012 129 4ZZ -0.00041 0.00080 -0.00011 0.00005 0.00032 130 4XY 0.00024 -0.00003 0.00014 -0.00001 -0.00019 131 4XZ 0.00014 0.00018 -0.00017 0.00018 0.00010 132 4YZ -0.00018 0.00051 -0.00025 -0.00001 0.00011 133 15 H 1S -0.00269 0.00875 -0.00196 -0.00197 0.00112 134 2S -0.00207 0.00871 -0.00230 0.00141 0.00287 135 16 H 1S -0.00239 -0.00292 -0.00078 -0.00298 0.00156 136 2S -0.00166 -0.00322 -0.00205 -0.00037 0.00201 137 17 H 1S -0.00020 -0.00034 0.00021 -0.00086 0.00012 138 2S -0.00042 -0.00109 0.00013 -0.00197 0.00006 139 18 H 1S -0.00118 0.00145 0.00043 0.00289 0.00033 140 2S -0.00045 0.00205 0.00066 0.00206 0.00099 141 19 O 1S 0.00031 0.00003 -0.00009 -0.00002 -0.00011 142 2S -0.00072 -0.00014 0.00028 0.00003 0.00026 143 2PX -0.00077 0.00034 0.00102 0.00068 0.00025 144 2PY 0.00000 0.00011 -0.00006 0.00041 -0.00032 145 2PZ 0.00015 0.00078 0.00019 0.00165 0.00033 146 3S -0.00078 0.00104 0.00071 0.00046 -0.00033 147 3PX -0.00033 0.00043 0.00084 0.00008 0.00012 148 3PY -0.00010 0.00035 0.00010 0.00086 -0.00035 149 3PZ 0.00028 0.00031 0.00031 0.00070 0.00054 150 4XX -0.00008 -0.00007 -0.00009 0.00016 -0.00002 151 4YY 0.00004 -0.00002 0.00001 0.00008 0.00002 152 4ZZ 0.00001 -0.00003 0.00003 -0.00015 0.00008 153 4XY -0.00002 0.00001 0.00002 -0.00003 -0.00001 154 4XZ 0.00005 -0.00005 -0.00005 -0.00011 0.00001 155 4YZ -0.00004 0.00006 -0.00001 0.00017 0.00001 156 20 O 1S -0.00012 -0.00010 -0.00009 0.00001 -0.00003 157 2S 0.00021 0.00019 0.00022 0.00001 -0.00002 158 2PX 0.00017 -0.00013 0.00113 -0.00181 0.00051 159 2PY 0.00052 -0.00023 -0.00053 -0.00036 -0.00004 160 2PZ 0.00104 -0.00053 0.00061 -0.00291 0.00067 161 3S 0.00004 0.00037 0.00019 0.00034 0.00034 162 3PX 0.00017 -0.00021 0.00088 -0.00170 0.00056 163 3PY 0.00054 -0.00038 -0.00043 -0.00067 -0.00006 164 3PZ 0.00085 -0.00068 0.00053 -0.00291 0.00055 165 4XX -0.00001 0.00007 -0.00002 0.00018 -0.00003 166 4YY -0.00001 0.00001 0.00003 0.00004 -0.00002 167 4ZZ 0.00000 -0.00008 -0.00001 -0.00017 0.00001 168 4XY -0.00003 0.00002 -0.00002 0.00010 -0.00002 169 4XZ 0.00000 -0.00001 -0.00003 0.00000 0.00000 170 4YZ -0.00001 0.00000 0.00000 0.00002 -0.00001 171 21 C 1S 0.00016 0.00000 0.00009 -0.00028 0.00002 172 2S -0.00029 0.00021 -0.00009 0.00103 -0.00011 173 2PX 0.00007 0.00019 -0.00001 0.00039 -0.00014 174 2PY -0.00011 0.00036 0.00032 0.00031 0.00006 175 2PZ 0.00020 0.00013 0.00026 -0.00035 0.00013 176 3S -0.00018 0.00015 -0.00023 0.00132 -0.00028 177 3PX 0.00014 -0.00032 -0.00004 -0.00112 -0.00004 178 3PY 0.00009 0.00034 0.00020 0.00033 0.00009 179 3PZ 0.00009 0.00010 0.00030 -0.00019 0.00027 180 4XX 0.00000 -0.00001 0.00007 -0.00008 0.00004 181 4YY 0.00002 0.00000 -0.00007 0.00004 -0.00001 182 4ZZ 0.00000 -0.00003 0.00001 -0.00008 0.00002 183 4XY 0.00001 -0.00002 0.00002 -0.00005 0.00001 184 4XZ -0.00001 0.00001 0.00000 0.00002 0.00003 185 4YZ 0.00004 -0.00006 0.00000 -0.00017 0.00001 186 22 H 1S -0.00002 0.00003 0.00004 0.00001 -0.00002 187 2S -0.00005 -0.00026 -0.00022 -0.00094 -0.00021 188 23 H 1S -0.00012 -0.00010 0.00014 -0.00018 0.00016 189 2S 0.00015 -0.00040 0.00043 -0.00174 0.00049 31 32 33 34 35 31 3 C 1S 2.05494 32 2S -0.06108 0.32600 33 2PX 0.00137 0.00135 0.34895 34 2PY -0.00186 -0.00372 -0.01260 0.41139 35 2PZ -0.00409 0.00570 -0.03323 -0.01965 0.39185 36 3S -0.19678 0.28869 -0.04144 0.00159 0.00461 37 3PX 0.00513 -0.00814 0.20156 0.02642 0.03981 38 3PY 0.00719 0.00824 0.02145 0.13272 -0.01204 39 3PZ 0.00797 -0.01693 0.04362 0.00315 0.16555 40 4XX -0.01165 -0.01268 -0.00008 -0.00550 -0.00825 41 4YY -0.01845 0.00165 -0.00442 0.02175 -0.00237 42 4ZZ -0.01376 -0.00746 0.00382 -0.00996 0.00779 43 4XY 0.00144 -0.00305 -0.00713 -0.00233 0.00297 44 4XZ 0.00268 -0.00572 0.00067 0.00585 0.00628 45 4YZ 0.00106 -0.00231 0.00356 0.00096 -0.01163 46 4 C 1S 0.01820 -0.03387 0.01247 0.03915 -0.06920 47 2S -0.03656 0.06338 -0.02887 -0.07811 0.14401 48 2PX -0.01016 0.01980 0.18250 0.00828 0.15740 49 2PY -0.03660 0.07638 -0.00834 -0.05069 0.15693 50 2PZ 0.07343 -0.14773 0.12419 0.15366 -0.18242 51 3S 0.00947 0.01598 -0.01393 -0.09104 0.06287 52 3PX 0.00716 -0.00751 0.12105 0.02350 0.07216 53 3PY -0.00664 0.01372 0.00596 0.00955 0.08829 54 3PZ 0.00572 -0.03328 0.06022 0.05156 -0.01034 55 4XX 0.00197 -0.00391 0.00459 0.00268 -0.00489 56 4YY 0.00121 -0.00332 0.00045 0.01327 -0.00352 57 4ZZ -0.00362 0.00683 -0.00425 -0.00905 -0.00331 58 4XY -0.00128 0.00250 0.00553 0.00056 0.00434 59 4XZ 0.00125 -0.00243 -0.00985 0.00316 -0.00244 60 4YZ 0.00482 -0.00896 0.00406 -0.00230 -0.00890 61 5 H 1S -0.00745 0.01733 0.00073 -0.01537 0.03355 62 2S -0.01207 0.02472 0.00396 -0.03066 0.06994 63 6 H 1S 0.01303 -0.02811 0.00993 0.00382 -0.04387 64 2S 0.01856 -0.03297 0.02490 -0.00035 -0.09600 65 7 C 1S -0.00087 0.00340 -0.00345 -0.00462 -0.00223 66 2S 0.00284 -0.00361 0.00871 0.00685 0.00600 67 2PX 0.00614 -0.01796 0.00239 0.00664 0.00500 68 2PY 0.00131 -0.00280 0.01762 0.01473 0.00876 69 2PZ 0.00598 -0.01531 0.01206 0.00695 0.00835 70 3S -0.00273 -0.01789 0.00113 0.04084 -0.00819 71 3PX 0.00469 -0.01285 0.00854 0.00807 0.02081 72 3PY -0.00257 -0.00144 -0.01041 0.01209 -0.01393 73 3PZ 0.00230 -0.01589 0.00856 0.00737 -0.00722 74 4XX -0.00010 0.00008 0.00067 -0.00035 0.00020 75 4YY 0.00014 -0.00011 -0.00040 0.00009 -0.00049 76 4ZZ -0.00016 0.00093 0.00006 -0.00083 -0.00005 77 4XY -0.00029 0.00009 -0.00546 -0.00217 -0.00308 78 4XZ 0.00012 -0.00031 0.00234 0.00092 0.00171 79 4YZ -0.00042 0.00030 -0.00522 -0.00158 -0.00311 80 8 C 1S -0.00178 0.00203 0.01015 0.00432 0.00361 81 2S 0.00088 -0.01176 -0.01513 -0.00319 -0.00713 82 2PX -0.00337 0.00217 -0.09618 -0.03274 -0.05345 83 2PY 0.00036 -0.00341 -0.02837 -0.01781 -0.01151 84 2PZ -0.00708 0.00896 -0.08500 -0.02217 -0.05580 85 3S 0.01627 -0.00059 -0.03824 -0.03810 0.00095 86 3PX 0.00364 -0.00783 -0.05824 -0.02308 -0.04996 87 3PY -0.00003 -0.00570 -0.03774 0.00624 -0.02707 88 3PZ 0.00155 0.00701 -0.05985 -0.01613 -0.01994 89 4XX -0.00145 0.00260 -0.00450 -0.00217 -0.00488 90 4YY -0.00025 -0.00060 0.00146 0.00225 0.00099 91 4ZZ -0.00002 -0.00077 0.00198 0.00006 0.00252 92 4XY -0.00060 0.00158 -0.00189 0.00082 -0.00154 93 4XZ -0.00108 0.00262 -0.00601 -0.00200 -0.00294 94 4YZ -0.00072 0.00176 -0.00142 0.00062 -0.00120 95 9 H 1S -0.05974 0.11313 -0.03571 0.26354 -0.01518 96 2S -0.01318 0.02654 -0.02586 0.24291 0.00125 97 10 H 1S -0.00248 0.00754 -0.00732 -0.00905 -0.00837 98 2S -0.00361 0.01354 -0.02064 -0.02462 -0.02719 99 11 C 1S 0.01244 -0.02357 -0.03607 0.02996 0.04416 100 2S -0.02396 0.03949 0.07420 -0.05499 -0.09017 101 2PX 0.04790 -0.10349 -0.10583 0.09321 0.15610 102 2PY -0.02374 0.04946 0.08842 -0.03182 -0.07088 103 2PZ -0.04592 0.09406 0.13907 -0.08288 -0.13095 104 3S 0.00574 0.02216 0.05716 -0.11777 -0.11983 105 3PX 0.00940 -0.03226 -0.05671 0.04710 0.07740 106 3PY -0.00508 0.00883 0.04981 0.00333 -0.03348 107 3PZ -0.00844 0.03021 0.07260 -0.04275 -0.05938 108 4XX -0.00124 0.00156 -0.00791 -0.00281 -0.00508 109 4YY 0.00066 -0.00218 -0.00160 0.00988 0.00164 110 4ZZ -0.00153 0.00225 0.00636 -0.00273 0.00848 111 4XY 0.00307 -0.00569 -0.00321 -0.00244 0.00650 112 4XZ 0.00456 -0.00898 -0.00380 0.00623 0.00419 113 4YZ -0.00296 0.00534 0.00633 0.00254 -0.00393 114 12 H 1S 0.00836 -0.01923 -0.00781 0.00216 0.03479 115 2S 0.01324 -0.02578 0.00586 0.01064 0.08286 116 13 H 1S 0.00784 -0.02317 -0.02370 0.00466 0.01467 117 2S 0.01198 -0.02844 -0.06285 0.00791 0.01758 118 14 C 1S -0.00188 0.00452 0.00258 -0.00947 -0.00507 119 2S 0.00482 -0.00915 -0.01152 0.01815 0.01179 120 2PX -0.00233 0.01074 0.01517 -0.00543 -0.01074 121 2PY 0.01008 -0.02605 -0.02638 0.03533 0.01528 122 2PZ 0.00332 -0.00980 -0.00895 0.00623 0.01170 123 3S -0.00249 -0.01275 0.02495 0.07999 0.03944 124 3PX 0.00056 0.00525 0.01174 -0.00078 -0.01384 125 3PY 0.00694 -0.02183 -0.01115 0.05357 0.01823 126 3PZ -0.00007 -0.00678 -0.00008 0.00806 0.01470 127 4XX 0.00016 -0.00042 0.00365 0.00128 0.00196 128 4YY -0.00049 0.00081 -0.00065 -0.00189 -0.00247 129 4ZZ -0.00026 0.00065 -0.00200 -0.00081 -0.00116 130 4XY 0.00116 -0.00266 -0.00330 0.00360 0.00442 131 4XZ -0.00026 0.00086 0.00015 -0.00083 -0.00124 132 4YZ -0.00106 0.00215 0.00485 -0.00279 -0.00362 133 15 H 1S -0.00412 0.01082 0.00465 -0.01090 -0.01587 134 2S -0.00541 0.01200 0.00031 -0.02098 -0.02861 135 16 H 1S -0.00199 0.00839 0.02437 -0.00437 -0.00381 136 2S -0.00264 0.00790 0.03234 -0.01229 -0.00476 137 17 H 1S 0.00590 -0.01362 0.02038 0.00124 0.02040 138 2S 0.00655 -0.01226 0.04793 0.01064 0.04127 139 18 H 1S -0.00232 0.00538 -0.01953 -0.00855 -0.01188 140 2S -0.00405 0.00722 -0.03565 -0.01617 -0.03080 141 19 O 1S 0.00002 -0.00146 0.00291 0.00133 0.00101 142 2S -0.00038 0.00284 -0.00860 -0.00304 -0.00527 143 2PX -0.00122 0.00718 -0.00221 -0.00519 -0.00201 144 2PY -0.00050 0.00170 -0.00768 -0.00657 -0.00397 145 2PZ -0.00102 0.00620 0.00801 0.00389 0.00418 146 3S 0.00101 0.00705 -0.01489 -0.00945 0.00560 147 3PX -0.00035 0.00720 0.00158 -0.00442 0.00312 148 3PY -0.00002 0.00141 -0.00583 -0.00675 -0.00124 149 3PZ -0.00184 0.00706 0.00302 0.00182 -0.00072 150 4XX 0.00036 -0.00081 0.00128 0.00060 0.00032 151 4YY -0.00018 -0.00013 -0.00076 0.00003 -0.00104 152 4ZZ -0.00033 0.00024 -0.00126 -0.00029 -0.00124 153 4XY 0.00006 0.00026 0.00034 0.00010 0.00031 154 4XZ 0.00003 -0.00020 0.00061 0.00015 0.00021 155 4YZ -0.00003 0.00005 -0.00071 -0.00019 -0.00044 156 20 O 1S -0.00086 0.00337 -0.01007 -0.00120 -0.00238 157 2S 0.00268 -0.00669 0.02196 0.00203 0.00742 158 2PX 0.00889 -0.01757 0.06628 0.01290 0.02472 159 2PY 0.00037 0.00094 -0.00086 -0.00425 -0.00146 160 2PZ 0.00866 -0.01317 0.06208 0.01558 0.02921 161 3S 0.00062 -0.01747 0.05592 0.00874 0.00523 162 3PX 0.00485 -0.01409 0.05226 0.01129 0.01698 163 3PY -0.00011 0.00345 -0.00651 -0.00475 -0.00072 164 3PZ 0.00749 -0.00983 0.05297 0.01507 0.02888 165 4XX -0.00003 0.00044 -0.00442 -0.00134 -0.00168 166 4YY 0.00025 0.00059 0.00046 0.00067 0.00094 167 4ZZ 0.00030 0.00092 0.00040 -0.00037 0.00115 168 4XY -0.00038 0.00095 -0.00295 -0.00044 -0.00067 169 4XZ -0.00027 0.00084 -0.00236 -0.00032 -0.00077 170 4YZ -0.00036 0.00061 -0.00133 0.00013 -0.00079 171 21 C 1S 0.00027 0.00024 0.00298 0.00030 0.00114 172 2S -0.00037 -0.00033 -0.00788 -0.00138 -0.00187 173 2PX -0.00136 0.00248 -0.01145 -0.00154 -0.00334 174 2PY -0.00231 0.00451 -0.02134 -0.00326 -0.00770 175 2PZ -0.00019 0.00112 0.00274 0.00073 0.00114 176 3S -0.00011 -0.00143 -0.01460 -0.00083 -0.00542 177 3PX -0.00091 0.00222 -0.00299 -0.00133 -0.00394 178 3PY -0.00177 0.00297 -0.02403 -0.00635 -0.01165 179 3PZ 0.00031 -0.00114 0.01038 0.00087 0.00565 180 4XX 0.00038 -0.00037 0.00278 0.00051 0.00110 181 4YY -0.00008 0.00011 -0.00156 -0.00022 -0.00039 182 4ZZ -0.00012 0.00031 -0.00053 -0.00017 -0.00010 183 4XY 0.00018 -0.00052 0.00176 0.00062 0.00084 184 4XZ 0.00032 -0.00043 0.00163 0.00015 0.00077 185 4YZ 0.00046 -0.00087 0.00279 0.00053 0.00119 186 22 H 1S -0.00090 0.00132 -0.00531 -0.00104 -0.00239 187 2S -0.00194 0.00386 -0.01246 -0.00334 -0.00851 188 23 H 1S 0.00153 -0.00249 0.01279 0.00197 0.00486 189 2S 0.00193 -0.00161 0.02778 0.00339 0.00985 36 37 38 39 40 36 3S 0.29356 37 3PX -0.03135 0.13458 38 3PY -0.00442 0.02086 0.05436 39 3PZ -0.02128 0.05104 0.00139 0.08688 40 4XX -0.01007 -0.00215 -0.00209 -0.00293 0.00127 41 4YY 0.00408 -0.00070 0.00642 -0.00124 -0.00040 42 4ZZ -0.00795 0.00300 -0.00273 0.00383 0.00022 43 4XY -0.00191 -0.00336 -0.00167 -0.00001 0.00012 44 4XZ -0.00466 0.00247 0.00207 0.00273 -0.00009 45 4YZ -0.00247 0.00016 0.00083 -0.00367 0.00033 46 4 C 1S -0.01204 -0.00123 0.01123 -0.01450 0.00275 47 2S 0.03990 0.00105 -0.02913 0.03845 -0.00570 48 2PX 0.00229 0.13404 0.01795 0.08768 -0.00647 49 2PY 0.05280 0.00032 -0.00611 0.07192 -0.00277 50 2PZ -0.16228 0.05750 0.06278 -0.04940 0.00710 51 3S -0.02058 -0.00533 -0.01666 0.00407 -0.00163 52 3PX -0.01950 0.08767 0.01809 0.04372 -0.00327 53 3PY 0.00712 0.01721 0.00191 0.04173 -0.00219 54 3PZ -0.03123 0.03952 0.01564 0.00713 0.00056 55 4XX -0.00338 0.00206 0.00127 -0.00047 0.00031 56 4YY -0.00244 0.00142 0.00390 -0.00119 -0.00012 57 4ZZ 0.00650 -0.00442 -0.00289 -0.00262 0.00007 58 4XY 0.00289 0.00489 -0.00013 0.00337 -0.00022 59 4XZ 0.00011 -0.00561 -0.00002 -0.00236 0.00014 60 4YZ -0.01073 0.00132 -0.00060 -0.00332 0.00052 61 5 H 1S 0.03976 0.00069 -0.00619 0.02891 -0.00008 62 2S 0.04600 0.00682 -0.01435 0.04555 -0.00094 63 6 H 1S -0.05137 -0.00537 0.00707 -0.01815 0.00274 64 2S -0.05570 -0.00627 0.00968 -0.03605 0.00426 65 7 C 1S -0.00191 -0.00291 0.00120 -0.00259 0.00024 66 2S -0.00263 0.00729 0.00026 0.00498 -0.00030 67 2PX 0.00496 0.01485 -0.01266 -0.00067 0.00127 68 2PY -0.00300 0.01430 -0.00282 0.01855 -0.00119 69 2PZ -0.00920 0.02575 -0.00904 -0.00178 0.00139 70 3S -0.00973 0.00298 0.00289 -0.00038 0.00013 71 3PX 0.00118 0.01713 -0.00775 0.00679 0.00033 72 3PY -0.00633 -0.01235 0.00361 -0.00139 0.00014 73 3PZ -0.00802 0.01411 -0.00453 -0.00698 0.00142 74 4XX 0.00043 0.00098 -0.00086 -0.00015 -0.00003 75 4YY 0.00088 -0.00024 -0.00030 -0.00009 0.00002 76 4ZZ -0.00051 -0.00054 0.00100 -0.00011 0.00000 77 4XY -0.00001 -0.00373 -0.00080 -0.00275 0.00022 78 4XZ 0.00077 0.00234 -0.00078 0.00178 -0.00009 79 4YZ 0.00202 -0.00404 -0.00121 -0.00259 0.00017 80 8 C 1S 0.00643 -0.00004 0.00140 0.00539 -0.00117 81 2S -0.00116 -0.00216 -0.00541 -0.00890 0.00203 82 2PX -0.00328 -0.06339 -0.00958 -0.04566 0.00413 83 2PY -0.00312 -0.01664 0.00036 -0.02344 0.00260 84 2PZ 0.03657 -0.06051 -0.02169 -0.04285 0.00356 85 3S 0.01385 -0.01593 -0.01742 -0.01386 0.00247 86 3PX -0.00398 -0.04195 -0.00784 -0.03717 0.00353 87 3PY -0.00071 -0.02789 -0.00033 -0.02218 0.00196 88 3PZ 0.01977 -0.03871 -0.01251 -0.02313 0.00187 89 4XX 0.00639 -0.00377 -0.00275 -0.00391 -0.00016 90 4YY -0.00161 0.00109 0.00074 0.00119 -0.00007 91 4ZZ -0.00389 0.00145 0.00224 0.00186 0.00014 92 4XY -0.00038 -0.00156 0.00189 -0.00098 -0.00005 93 4XZ 0.00235 -0.00458 -0.00115 -0.00211 -0.00007 94 4YZ 0.00168 -0.00232 0.00026 0.00021 -0.00008 95 9 H 1S 0.11157 -0.00249 0.08502 -0.01080 -0.00811 96 2S 0.03260 0.00815 0.07297 0.00334 -0.00547 97 10 H 1S 0.00683 -0.00886 0.00887 -0.00707 0.00003 98 2S 0.01579 -0.02051 0.00300 -0.01989 0.00000 99 11 C 1S 0.00108 -0.00169 0.00483 0.00524 -0.00217 100 2S 0.01380 0.01259 -0.01501 -0.01806 0.00325 101 2PX -0.06880 -0.04389 0.00851 0.05917 0.00835 102 2PY 0.03173 0.03957 -0.01130 -0.02974 0.00373 103 2PZ 0.09340 0.03898 -0.01733 -0.04188 0.00582 104 3S -0.00960 -0.01346 -0.02718 -0.03146 0.00542 105 3PX -0.01392 -0.02375 0.00356 0.02816 0.00302 106 3PY 0.00117 0.02541 -0.00174 -0.00868 0.00205 107 3PZ 0.02437 0.02247 -0.00470 -0.01695 0.00314 108 4XX 0.00363 -0.00668 -0.00209 -0.00403 0.00072 109 4YY -0.00155 0.00045 0.00350 0.00122 -0.00030 110 4ZZ -0.00028 0.00567 -0.00006 0.00431 -0.00057 111 4XY -0.00384 -0.00178 -0.00226 0.00328 0.00043 112 4XZ -0.00794 -0.00103 0.00120 0.00202 0.00031 113 4YZ 0.00518 0.00284 0.00179 -0.00106 0.00007 114 12 H 1S -0.03973 0.00861 -0.00045 0.01726 -0.00315 115 2S -0.04434 0.02828 0.00503 0.03715 -0.00459 116 13 H 1S -0.01004 -0.02695 -0.01211 0.00690 0.00852 117 2S -0.00441 -0.04469 -0.01398 -0.00203 0.00744 118 14 C 1S 0.00063 0.00005 -0.00297 -0.00497 0.00045 119 2S -0.00690 -0.00391 0.00873 0.00965 -0.00095 120 2PX -0.01494 0.01466 0.02170 -0.02705 0.00047 121 2PY -0.02630 -0.01499 0.01261 0.01784 -0.00243 122 2PZ -0.01129 -0.00689 -0.01256 0.01018 -0.00109 123 3S -0.00945 0.02904 0.02681 0.03636 -0.00264 124 3PX -0.01044 0.00962 0.01197 -0.01674 -0.00002 125 3PY -0.01954 -0.00004 0.01613 0.01327 -0.00159 126 3PZ -0.00764 -0.00018 -0.00304 0.01048 -0.00061 127 4XX -0.00068 0.00403 0.00000 0.00058 -0.00003 128 4YY 0.00049 -0.00173 -0.00037 -0.00042 0.00006 129 4ZZ 0.00034 -0.00215 0.00033 -0.00125 0.00010 130 4XY -0.00074 -0.00167 -0.00002 0.00246 0.00019 131 4XZ 0.00067 0.00003 0.00076 -0.00127 0.00006 132 4YZ 0.00239 0.00205 -0.00053 -0.00114 0.00022 133 15 H 1S 0.01434 -0.00148 0.00439 -0.00934 0.00148 134 2S 0.01287 -0.01139 0.00184 -0.01853 0.00239 135 16 H 1S -0.00715 0.02215 0.00997 -0.01260 -0.00032 136 2S -0.00385 0.02883 0.00252 -0.01210 -0.00043 137 17 H 1S -0.02749 0.02254 0.01069 0.00693 0.00073 138 2S -0.03277 0.04294 0.01626 0.02357 -0.00068 139 18 H 1S 0.00796 -0.02138 0.00249 -0.01045 0.00033 140 2S 0.00730 -0.03645 0.00298 -0.02163 0.00129 141 19 O 1S 0.00457 0.00208 -0.00260 0.00092 -0.00012 142 2S -0.01157 -0.00614 0.00614 -0.00469 0.00034 143 2PX -0.01282 -0.00674 0.01518 -0.00523 0.00028 144 2PY -0.00841 -0.00804 -0.00077 -0.00886 0.00028 145 2PZ -0.00223 -0.00040 0.01152 0.00887 -0.00064 146 3S -0.00785 -0.01129 0.00440 0.00202 -0.00003 147 3PX -0.00781 -0.00336 0.01145 0.00045 -0.00008 148 3PY -0.00526 -0.00638 -0.00116 -0.00584 0.00023 149 3PZ -0.00102 -0.00407 0.00956 0.00421 -0.00059 150 4XX -0.00078 0.00132 0.00004 0.00027 0.00006 151 4YY -0.00018 -0.00066 0.00002 -0.00119 0.00002 152 4ZZ 0.00069 -0.00124 -0.00035 -0.00071 -0.00001 153 4XY -0.00056 0.00016 0.00050 0.00023 -0.00001 154 4XZ -0.00010 0.00064 -0.00005 0.00038 0.00001 155 4YZ 0.00019 -0.00054 0.00017 -0.00034 0.00004 156 20 O 1S 0.00144 -0.00263 0.00207 -0.00641 0.00006 157 2S 0.00390 0.00682 -0.00694 0.01295 -0.00007 158 2PX -0.04869 0.04551 0.02806 0.03115 0.00328 159 2PY -0.02108 -0.01180 -0.00721 0.01288 0.00016 160 2PZ -0.09213 0.03823 0.05303 0.04298 0.00251 161 3S -0.02044 0.02385 -0.00111 0.02509 -0.00018 162 3PX -0.04106 0.03456 0.02404 0.02365 0.00192 163 3PY -0.00959 -0.01158 -0.00614 0.00743 -0.00012 164 3PZ -0.06530 0.03392 0.03855 0.03639 0.00158 165 4XX 0.00033 -0.00300 -0.00034 -0.00159 0.00023 166 4YY 0.00178 0.00115 0.00060 -0.00051 -0.00007 167 4ZZ 0.00201 0.00059 -0.00102 0.00014 -0.00017 168 4XY 0.00204 -0.00209 -0.00096 -0.00127 -0.00014 169 4XZ 0.00053 -0.00173 -0.00002 -0.00067 -0.00003 170 4YZ 0.00375 -0.00076 -0.00165 -0.00120 -0.00017 171 21 C 1S -0.00368 0.00194 0.00126 0.00180 0.00012 172 2S 0.00582 -0.00377 -0.00123 -0.00621 -0.00003 173 2PX 0.01153 -0.00373 -0.00220 -0.01195 -0.00057 174 2PY 0.01393 -0.01393 0.00029 -0.01123 -0.00046 175 2PZ 0.00544 0.00371 -0.00570 0.00116 -0.00027 176 3S 0.00443 -0.00691 -0.00086 -0.00892 0.00036 177 3PX 0.00017 -0.00163 0.00250 -0.00283 -0.00001 178 3PY 0.00333 -0.01832 -0.00133 -0.01094 0.00026 179 3PZ -0.00744 0.00652 0.00362 0.00588 0.00012 180 4XX -0.00272 0.00165 0.00214 0.00123 0.00011 181 4YY 0.00080 -0.00111 -0.00083 -0.00030 -0.00009 182 4ZZ 0.00178 -0.00018 -0.00126 -0.00035 -0.00006 183 4XY 0.00033 0.00147 0.00048 0.00065 -0.00003 184 4XZ -0.00332 0.00067 0.00188 0.00154 0.00013 185 4YZ -0.00359 0.00202 0.00136 0.00160 0.00013 186 22 H 1S 0.01209 -0.00158 -0.00876 -0.00402 -0.00031 187 2S 0.02084 -0.00650 -0.01474 -0.00777 -0.00056 188 23 H 1S -0.01619 0.00529 0.01053 0.00920 0.00061 189 2S -0.02884 0.01286 0.01947 0.01837 0.00067 41 42 43 44 45 41 4YY 0.00185 42 4ZZ -0.00083 0.00134 43 4XY -0.00016 0.00014 0.00038 44 4XZ 0.00034 0.00007 -0.00002 0.00090 45 4YZ -0.00008 -0.00006 -0.00024 -0.00012 0.00071 46 4 C 1S 0.00161 -0.00434 -0.00115 0.00133 0.00435 47 2S -0.00337 0.00759 0.00233 -0.00236 -0.00871 48 2PX -0.00018 0.00511 -0.00459 0.01200 -0.00393 49 2PY -0.01232 0.00900 -0.00024 -0.00174 0.00304 50 2PZ 0.00173 0.00395 -0.00387 0.00221 0.00980 51 3S -0.00546 0.00806 0.00182 -0.00125 -0.00542 52 3PX -0.00019 0.00416 -0.00308 0.00835 -0.00080 53 3PY -0.00297 0.00397 0.00027 0.00080 -0.00012 54 3PZ 0.00071 0.00238 -0.00168 0.00240 0.00183 55 4XX -0.00004 -0.00013 -0.00014 0.00008 0.00041 56 4YY 0.00096 -0.00047 -0.00005 0.00026 -0.00008 57 4ZZ -0.00069 0.00016 0.00003 -0.00040 0.00031 58 4XY 0.00013 -0.00017 0.00001 -0.00009 -0.00014 59 4XZ 0.00045 -0.00046 0.00021 0.00017 -0.00007 60 4YZ -0.00038 0.00038 0.00005 -0.00030 0.00039 61 5 H 1S -0.00253 0.00052 -0.00010 0.00007 0.00104 62 2S -0.00366 0.00154 -0.00001 0.00003 0.00036 63 6 H 1S -0.00556 0.00659 -0.00010 -0.00402 0.00406 64 2S -0.00527 0.00408 -0.00095 -0.00382 0.00629 65 7 C 1S -0.00007 0.00001 -0.00027 -0.00049 -0.00025 66 2S 0.00036 0.00038 0.00025 0.00107 0.00040 67 2PX -0.00064 0.00194 0.00123 0.00619 0.00130 68 2PY 0.00103 -0.00083 0.00074 -0.00141 0.00016 69 2PZ -0.00063 0.00185 0.00073 0.00555 0.00105 70 3S 0.00170 0.00004 0.00048 0.00208 0.00116 71 3PX -0.00053 0.00198 0.00048 0.00506 0.00053 72 3PY 0.00098 -0.00133 0.00017 -0.00188 0.00013 73 3PZ -0.00051 0.00116 0.00049 0.00352 0.00100 74 4XX -0.00004 0.00004 -0.00002 0.00011 0.00003 75 4YY -0.00001 -0.00003 0.00003 0.00004 0.00003 76 4ZZ 0.00001 -0.00004 -0.00007 -0.00023 -0.00008 77 4XY -0.00012 0.00003 0.00009 0.00026 0.00010 78 4XZ 0.00006 -0.00003 0.00008 -0.00006 -0.00001 79 4YZ -0.00007 -0.00005 0.00009 0.00011 0.00008 80 8 C 1S 0.00008 -0.00041 -0.00011 -0.00101 -0.00033 81 2S -0.00132 0.00005 0.00072 0.00281 0.00076 82 2PX -0.00200 0.00061 0.00214 0.00601 0.00200 83 2PY -0.00199 0.00069 -0.00057 0.00293 -0.00008 84 2PZ -0.00090 -0.00119 0.00182 0.00182 0.00168 85 3S -0.00286 0.00019 0.00121 0.00361 0.00034 86 3PX -0.00205 0.00070 0.00115 0.00414 0.00204 87 3PY 0.00003 -0.00085 0.00007 0.00154 0.00065 88 3PZ -0.00072 -0.00039 0.00128 0.00210 0.00043 89 4XX 0.00001 -0.00010 -0.00002 -0.00029 0.00009 90 4YY 0.00015 0.00002 -0.00001 0.00009 0.00000 91 4ZZ -0.00003 0.00004 -0.00003 -0.00001 -0.00010 92 4XY 0.00011 -0.00014 -0.00001 -0.00024 -0.00002 93 4XZ 0.00007 -0.00016 0.00011 -0.00027 0.00001 94 4YZ 0.00014 -0.00021 -0.00003 -0.00044 -0.00005 95 9 H 1S 0.01662 -0.01016 -0.00237 0.00185 -0.00063 96 2S 0.01575 -0.00812 -0.00162 0.00344 -0.00082 97 10 H 1S 0.00087 -0.00035 -0.00061 0.00011 -0.00036 98 2S 0.00156 -0.00131 -0.00078 -0.00002 -0.00046 99 11 C 1S 0.00156 -0.00143 0.00238 0.00437 -0.00280 100 2S -0.00345 0.00169 -0.00462 -0.00809 0.00538 101 2PX 0.00282 -0.00375 0.00337 0.00315 -0.00632 102 2PY -0.00944 0.00316 0.00344 -0.00565 -0.00256 103 2PZ -0.00290 -0.00993 -0.00553 -0.00345 0.00441 104 3S -0.00724 0.00263 -0.00421 -0.01029 0.00641 105 3PX 0.00228 -0.00258 0.00160 0.00109 -0.00361 106 3PY -0.00365 0.00115 0.00156 -0.00311 -0.00078 107 3PZ -0.00214 -0.00367 -0.00259 -0.00117 0.00221 108 4XX -0.00025 -0.00050 0.00023 -0.00024 -0.00007 109 4YY 0.00084 -0.00035 -0.00017 0.00032 0.00012 110 4ZZ -0.00041 0.00080 0.00011 0.00005 -0.00032 111 4XY -0.00024 0.00003 0.00014 0.00001 -0.00019 112 4XZ 0.00014 0.00018 0.00017 0.00018 -0.00010 113 4YZ 0.00018 -0.00051 -0.00025 0.00001 0.00011 114 12 H 1S -0.00269 0.00875 0.00196 -0.00197 -0.00112 115 2S -0.00206 0.00871 0.00229 0.00141 -0.00287 116 13 H 1S -0.00239 -0.00292 0.00078 -0.00298 -0.00156 117 2S -0.00166 -0.00322 0.00206 -0.00037 -0.00201 118 14 C 1S -0.00142 0.00046 0.00079 -0.00011 -0.00080 119 2S 0.00319 -0.00115 -0.00142 0.00021 0.00154 120 2PX -0.00069 0.00134 0.00048 0.00108 -0.00075 121 2PY 0.00808 -0.00239 -0.00547 0.00207 0.00493 122 2PZ 0.00084 -0.00022 -0.00059 -0.00078 0.00059 123 3S 0.00575 -0.00201 -0.00198 0.00035 0.00156 124 3PX 0.00022 0.00032 0.00015 0.00028 -0.00036 125 3PY 0.00556 -0.00155 -0.00250 0.00257 0.00196 126 3PZ 0.00032 0.00032 -0.00042 -0.00025 0.00007 127 4XX -0.00010 0.00014 0.00020 0.00013 -0.00011 128 4YY 0.00009 -0.00005 -0.00026 -0.00024 0.00023 129 4ZZ -0.00023 0.00001 0.00012 -0.00004 -0.00014 130 4XY 0.00016 -0.00019 0.00005 0.00006 -0.00017 131 4XZ -0.00006 0.00004 0.00001 0.00006 -0.00001 132 4YZ -0.00012 -0.00025 -0.00011 -0.00007 0.00011 133 15 H 1S -0.00152 -0.00049 0.00075 -0.00039 -0.00062 134 2S -0.00248 -0.00056 0.00054 -0.00038 -0.00067 135 16 H 1S -0.00102 0.00149 0.00087 0.00039 -0.00054 136 2S -0.00202 0.00252 0.00114 0.00120 -0.00035 137 17 H 1S -0.00119 0.00145 -0.00043 0.00289 -0.00033 138 2S -0.00045 0.00205 -0.00066 0.00206 -0.00100 139 18 H 1S -0.00020 -0.00034 -0.00021 -0.00086 -0.00012 140 2S -0.00042 -0.00109 -0.00013 -0.00196 -0.00006 141 19 O 1S -0.00012 -0.00010 0.00009 0.00001 0.00003 142 2S 0.00021 0.00019 -0.00022 0.00001 0.00002 143 2PX 0.00017 -0.00013 -0.00113 -0.00181 -0.00051 144 2PY -0.00052 0.00023 -0.00053 0.00036 -0.00004 145 2PZ 0.00104 -0.00054 -0.00061 -0.00291 -0.00067 146 3S 0.00004 0.00037 -0.00019 0.00034 -0.00034 147 3PX 0.00017 -0.00021 -0.00088 -0.00170 -0.00056 148 3PY -0.00054 0.00038 -0.00043 0.00067 -0.00006 149 3PZ 0.00085 -0.00068 -0.00053 -0.00291 -0.00055 150 4XX -0.00001 0.00007 0.00002 0.00018 0.00003 151 4YY -0.00001 0.00001 -0.00003 0.00004 0.00002 152 4ZZ 0.00000 -0.00008 0.00001 -0.00017 -0.00001 153 4XY 0.00003 -0.00002 -0.00002 -0.00010 -0.00002 154 4XZ 0.00000 -0.00001 0.00003 0.00000 0.00000 155 4YZ 0.00001 0.00000 0.00000 -0.00002 -0.00001 156 20 O 1S 0.00031 0.00003 0.00009 -0.00002 0.00011 157 2S -0.00072 -0.00014 -0.00028 0.00003 -0.00026 158 2PX -0.00077 0.00034 -0.00102 0.00068 -0.00025 159 2PY 0.00000 -0.00011 -0.00006 -0.00041 -0.00032 160 2PZ 0.00015 0.00078 -0.00019 0.00164 -0.00033 161 3S -0.00078 0.00104 -0.00071 0.00046 0.00033 162 3PX -0.00033 0.00043 -0.00084 0.00008 -0.00012 163 3PY 0.00010 -0.00035 0.00010 -0.00087 -0.00035 164 3PZ 0.00028 0.00031 -0.00031 0.00070 -0.00054 165 4XX -0.00008 -0.00007 0.00009 0.00016 0.00002 166 4YY 0.00004 -0.00002 -0.00001 0.00008 -0.00002 167 4ZZ 0.00001 -0.00003 -0.00003 -0.00015 -0.00008 168 4XY 0.00002 -0.00001 0.00002 0.00003 -0.00001 169 4XZ 0.00005 -0.00005 0.00005 -0.00011 -0.00001 170 4YZ 0.00004 -0.00006 -0.00001 -0.00017 0.00001 171 21 C 1S 0.00016 0.00000 -0.00009 -0.00028 -0.00002 172 2S -0.00029 0.00021 0.00009 0.00103 0.00011 173 2PX 0.00007 0.00019 0.00001 0.00039 0.00014 174 2PY 0.00011 -0.00036 0.00032 -0.00031 0.00006 175 2PZ 0.00020 0.00013 -0.00026 -0.00035 -0.00013 176 3S -0.00018 0.00015 0.00023 0.00132 0.00028 177 3PX 0.00014 -0.00032 0.00005 -0.00112 0.00004 178 3PY -0.00009 -0.00034 0.00020 -0.00033 0.00009 179 3PZ 0.00009 0.00010 -0.00030 -0.00019 -0.00027 180 4XX 0.00000 -0.00001 -0.00007 -0.00008 -0.00004 181 4YY 0.00002 0.00000 0.00007 0.00004 0.00001 182 4ZZ 0.00000 -0.00003 -0.00001 -0.00008 -0.00002 183 4XY -0.00001 0.00002 0.00002 0.00005 0.00001 184 4XZ -0.00001 0.00001 0.00000 0.00002 -0.00003 185 4YZ -0.00004 0.00006 0.00000 0.00017 0.00001 186 22 H 1S -0.00002 0.00003 -0.00004 0.00001 0.00002 187 2S -0.00005 -0.00026 0.00022 -0.00094 0.00021 188 23 H 1S -0.00012 -0.00010 -0.00014 -0.00018 -0.00016 189 2S 0.00015 -0.00040 -0.00043 -0.00174 -0.00049 46 47 48 49 50 46 4 C 1S 2.05282 47 2S -0.06255 0.32755 48 2PX -0.00140 0.00251 0.35515 49 2PY -0.00097 -0.00036 0.00138 0.41443 50 2PZ -0.00131 -0.00543 -0.03125 -0.00023 0.40212 51 3S -0.15830 0.24228 0.00292 -0.01318 0.04226 52 3PX 0.00113 -0.00315 0.21933 0.01073 0.03527 53 3PY -0.00251 0.01344 0.02697 0.13649 0.00084 54 3PZ -0.00982 0.03047 0.04209 0.01217 0.12272 55 4XX -0.01240 -0.01304 0.00071 0.00285 0.00347 56 4YY -0.01693 -0.00310 0.00128 -0.01322 0.00402 57 4ZZ -0.01781 -0.00166 -0.00664 0.01342 -0.00165 58 4XY 0.00134 -0.00254 0.00125 -0.00159 -0.00728 59 4XZ 0.00350 -0.00743 -0.00287 -0.00739 -0.00687 60 4YZ -0.00175 0.00281 -0.00873 0.00072 0.01435 61 5 H 1S 0.01228 -0.02561 0.00302 0.04307 -0.02280 62 2S 0.01413 -0.02480 0.01687 0.08410 -0.04847 63 6 H 1S -0.06047 0.11437 -0.10770 0.13129 0.20430 64 2S -0.01307 0.02614 -0.10364 0.11571 0.18745 65 7 C 1S -0.00081 0.00203 -0.00961 -0.00215 -0.00592 66 2S 0.00108 -0.00181 0.02495 0.00412 0.01178 67 2PX 0.00283 -0.00628 0.07963 0.01586 0.04182 68 2PY 0.00030 -0.00018 -0.00870 -0.00476 -0.00048 69 2PZ 0.00256 -0.00486 0.07393 0.01329 0.03685 70 3S 0.00322 -0.01717 0.02581 0.00650 0.04042 71 3PX 0.00175 -0.00019 0.07630 0.02020 0.03053 72 3PY 0.00071 -0.00700 -0.03393 -0.00774 -0.00101 73 3PZ 0.00133 -0.00757 0.04357 0.00502 0.03447 74 4XX -0.00011 0.00030 0.00113 0.00025 0.00034 75 4YY -0.00013 0.00012 0.00060 -0.00051 0.00067 76 4ZZ -0.00033 0.00043 -0.00323 -0.00056 -0.00212 77 4XY 0.00019 -0.00064 0.00062 0.00022 0.00096 78 4XZ -0.00001 0.00032 -0.00079 0.00004 -0.00078 79 4YZ 0.00005 -0.00062 -0.00010 0.00000 0.00077 80 8 C 1S -0.00147 0.00123 -0.00411 -0.00076 -0.00342 81 2S 0.00106 -0.00455 0.01445 0.00061 0.01439 82 2PX 0.00434 -0.01454 0.01847 0.00451 0.02131 83 2PY 0.00049 -0.00143 0.00663 0.00325 0.00218 84 2PZ 0.00469 -0.01529 0.00157 0.00046 0.01566 85 3S 0.00628 0.00376 0.02071 0.00931 -0.00712 86 3PX 0.00386 -0.01646 0.02051 0.00477 0.03439 87 3PY 0.00121 -0.01052 -0.00788 -0.00273 0.01736 88 3PZ 0.00700 -0.00538 0.00983 0.00210 -0.00169 89 4XX -0.00017 0.00025 -0.00359 -0.00040 -0.00053 90 4YY -0.00029 -0.00008 0.00185 -0.00028 0.00138 91 4ZZ -0.00095 0.00042 -0.00117 -0.00018 -0.00156 92 4XY -0.00007 -0.00026 -0.00515 -0.00109 -0.00182 93 4XZ -0.00034 0.00041 -0.00639 -0.00051 -0.00303 94 4YZ 0.00007 -0.00025 -0.00503 -0.00085 -0.00227 95 9 H 1S 0.01202 -0.02505 0.00096 -0.03529 0.02659 96 2S 0.01331 -0.02557 0.00977 -0.07177 0.04539 97 10 H 1S -0.00834 0.01854 0.00155 -0.03521 -0.00164 98 2S -0.01169 0.02553 -0.00346 -0.06911 -0.01170 99 11 C 1S -0.00306 0.00583 0.00800 0.00177 -0.01006 100 2S 0.00645 -0.01548 -0.01868 -0.00611 0.02653 101 2PX -0.00664 0.01796 -0.01459 0.00155 -0.04034 102 2PY 0.00144 -0.00333 -0.00706 0.00385 0.00503 103 2PZ 0.01299 -0.03365 -0.02311 -0.01220 0.03950 104 3S 0.00807 -0.01543 -0.07166 0.00864 0.03255 105 3PX -0.00507 0.01254 -0.00725 -0.01112 -0.03982 106 3PY 0.00350 -0.00782 -0.01742 0.00437 0.01673 107 3PZ 0.00772 -0.01717 -0.00500 -0.00145 0.02931 108 4XX 0.00040 -0.00111 -0.00869 -0.00081 -0.00240 109 4YY 0.00066 -0.00161 -0.00031 -0.00172 0.00373 110 4ZZ -0.00193 0.00383 0.00968 0.00409 -0.00456 111 4XY -0.00036 0.00095 -0.00075 0.00158 -0.00273 112 4XZ 0.00028 -0.00057 -0.00042 -0.00099 0.00335 113 4YZ 0.00043 -0.00131 0.00132 -0.00070 0.00275 114 12 H 1S -0.00765 0.01861 0.02815 0.01507 -0.01740 115 2S -0.01117 0.02682 0.07206 0.02256 -0.02835 116 13 H 1S 0.00146 -0.00211 -0.03905 -0.00247 -0.01315 117 2S 0.00149 -0.00233 -0.03686 0.00133 -0.01424 118 14 C 1S -0.00268 0.00518 0.00449 -0.00369 -0.00385 119 2S 0.00477 -0.00902 -0.01318 0.00692 0.00530 120 2PX -0.00575 0.00901 0.01475 -0.01710 -0.00025 121 2PY 0.00391 -0.00924 0.01092 -0.01171 0.02808 122 2PZ 0.00545 -0.01011 -0.01766 0.01847 -0.00079 123 3S 0.01276 -0.02471 -0.01194 0.02743 0.02149 124 3PX -0.00401 0.00652 0.00232 -0.02113 0.00156 125 3PY 0.00322 -0.00782 0.02237 -0.00754 0.02812 126 3PZ 0.00300 -0.00543 0.00005 0.01411 0.00024 127 4XX -0.00003 0.00016 0.00104 0.00096 0.00004 128 4YY -0.00013 0.00028 -0.00171 -0.00189 0.00034 129 4ZZ -0.00007 -0.00015 0.00005 0.00125 -0.00056 130 4XY -0.00012 0.00054 -0.00063 -0.00033 -0.00079 131 4XZ -0.00034 0.00061 0.00073 -0.00126 0.00051 132 4YZ 0.00016 -0.00069 -0.00022 -0.00093 0.00099 133 15 H 1S -0.00055 0.00024 -0.00220 -0.00239 -0.00167 134 2S -0.00112 0.00004 0.00425 -0.00404 0.00328 135 16 H 1S -0.00129 0.00194 0.00672 0.00025 -0.00058 136 2S -0.00202 0.00358 0.02594 0.00482 0.00549 137 17 H 1S -0.00109 0.00302 0.02316 0.00384 0.00499 138 2S -0.00149 0.00769 0.03344 0.00295 -0.00292 139 18 H 1S -0.00026 -0.00090 -0.01477 -0.00167 -0.00642 140 2S -0.00046 -0.00318 -0.04093 -0.01070 -0.01042 141 19 O 1S 0.00017 -0.00032 0.00064 -0.00007 0.00055 142 2S 0.00030 -0.00040 -0.00314 -0.00067 -0.00035 143 2PX -0.00062 -0.00050 -0.02007 -0.00058 -0.01189 144 2PY 0.00034 -0.00148 0.00167 0.00222 -0.00108 145 2PZ -0.00117 0.00069 -0.02972 -0.00332 -0.01574 146 3S -0.00277 0.00563 0.00737 0.00387 -0.00662 147 3PX -0.00096 0.00146 -0.01782 -0.00060 -0.01388 148 3PY -0.00088 0.00020 0.00990 0.00307 0.00115 149 3PZ -0.00122 0.00051 -0.03369 -0.00486 -0.01600 150 4XX 0.00038 -0.00036 0.00242 0.00028 0.00143 151 4YY 0.00014 -0.00032 0.00037 -0.00024 0.00065 152 4ZZ 0.00034 -0.00016 -0.00314 -0.00064 -0.00098 153 4XY -0.00004 0.00003 -0.00089 -0.00007 -0.00058 154 4XZ 0.00003 -0.00005 -0.00067 -0.00015 -0.00021 155 4YZ -0.00007 -0.00007 -0.00048 -0.00010 -0.00010 156 20 O 1S -0.00016 0.00196 -0.00628 0.00032 -0.00258 157 2S 0.00099 -0.00335 0.01491 -0.00049 0.00319 158 2PX 0.00076 -0.01200 0.02457 -0.00146 0.00916 159 2PY -0.00049 0.00001 -0.00757 -0.00365 -0.00455 160 2PZ -0.00063 -0.01549 0.01403 -0.00533 -0.00171 161 3S -0.00251 -0.00867 0.03775 -0.00003 0.02601 162 3PX -0.00044 -0.00850 0.01225 -0.00192 0.00782 163 3PY 0.00028 0.00156 -0.01626 -0.00301 -0.01028 164 3PZ -0.00024 -0.00918 0.00683 -0.00427 -0.00549 165 4XX 0.00010 -0.00042 -0.00075 -0.00008 -0.00040 166 4YY -0.00004 0.00018 0.00183 0.00015 -0.00016 167 4ZZ -0.00011 0.00126 -0.00155 0.00018 -0.00168 168 4XY 0.00000 0.00055 -0.00050 0.00025 -0.00059 169 4XZ -0.00013 0.00040 -0.00269 -0.00003 -0.00094 170 4YZ -0.00002 0.00061 -0.00133 0.00015 -0.00007 171 21 C 1S -0.00021 0.00037 -0.00255 -0.00074 -0.00130 172 2S 0.00045 -0.00093 0.01070 0.00231 0.00345 173 2PX 0.00019 0.00090 0.00183 0.00183 -0.00043 174 2PY 0.00002 0.00104 -0.01262 -0.00063 -0.00513 175 2PZ 0.00044 0.00038 0.00406 -0.00065 -0.00103 176 3S 0.00163 -0.00175 0.00664 0.00142 0.00527 177 3PX 0.00074 -0.00010 -0.02493 -0.00075 -0.00664 178 3PY -0.00013 0.00005 -0.01588 -0.00148 -0.00357 179 3PZ 0.00020 -0.00051 0.00432 -0.00234 -0.00296 180 4XX -0.00009 -0.00044 -0.00044 -0.00025 -0.00041 181 4YY 0.00010 0.00015 -0.00024 0.00000 -0.00017 182 4ZZ -0.00004 0.00045 -0.00040 -0.00004 -0.00036 183 4XY -0.00002 -0.00011 0.00120 0.00009 0.00047 184 4XZ -0.00017 -0.00039 -0.00042 -0.00028 -0.00030 185 4YZ -0.00001 -0.00058 0.00207 -0.00005 0.00072 186 22 H 1S 0.00050 0.00107 0.00436 0.00073 0.00111 187 2S 0.00031 0.00288 -0.01399 0.00266 -0.00045 188 23 H 1S -0.00043 -0.00223 -0.00288 -0.00129 -0.00121 189 2S -0.00064 -0.00291 -0.02268 -0.00476 -0.01122 51 52 53 54 55 51 3S 0.23666 52 3PX 0.00653 0.14682 53 3PY -0.00804 0.02136 0.05806 54 3PZ 0.02201 0.04331 0.01311 0.05819 55 4XX -0.00857 0.00095 0.00047 0.00024 0.00073 56 4YY -0.00280 0.00122 -0.00303 0.00086 0.00012 57 4ZZ 0.00017 -0.00369 0.00273 -0.00117 0.00023 58 4XY -0.00508 -0.00039 0.00047 -0.00152 0.00013 59 4XZ -0.00603 -0.00244 -0.00263 -0.00329 0.00011 60 4YZ 0.00534 -0.00323 -0.00013 0.00261 0.00002 61 5 H 1S -0.06018 -0.00165 0.01990 0.00236 0.00081 62 2S -0.06560 0.00207 0.03592 0.00210 0.00146 63 6 H 1S 0.11163 -0.03752 0.03854 0.06087 -0.00203 64 2S 0.05136 -0.03642 0.02569 0.04162 0.00088 65 7 C 1S 0.00055 -0.00684 0.00000 -0.00510 -0.00014 66 2S 0.00014 0.01759 0.00211 0.00932 0.00020 67 2PX -0.01600 0.06941 0.02337 0.04610 0.00029 68 2PY -0.01388 -0.01268 -0.00347 -0.00076 0.00023 69 2PZ -0.01086 0.06699 0.02406 0.03744 0.00057 70 3S -0.01584 0.02581 0.00756 0.02020 0.00058 71 3PX -0.01134 0.06200 0.02274 0.03712 0.00019 72 3PY -0.00543 -0.02752 -0.00859 -0.01206 -0.00002 73 3PZ -0.00497 0.04224 0.01209 0.02568 0.00055 74 4XX -0.00046 0.00154 0.00065 0.00092 0.00000 75 4YY 0.00001 0.00039 -0.00041 0.00063 0.00001 76 4ZZ 0.00080 -0.00298 -0.00042 -0.00198 -0.00004 77 4XY 0.00111 0.00146 -0.00024 0.00013 -0.00005 78 4XZ -0.00195 -0.00054 0.00065 0.00062 0.00002 79 4YZ 0.00064 0.00051 -0.00063 0.00050 -0.00004 80 8 C 1S 0.00181 -0.00602 -0.00355 -0.00327 -0.00073 81 2S -0.00137 0.01485 0.00374 0.01038 0.00068 82 2PX 0.02214 0.02983 -0.00267 0.00666 -0.00075 83 2PY 0.01125 0.01357 0.00681 0.00129 0.00005 84 2PZ 0.00470 0.01379 -0.00870 0.01235 -0.00027 85 3S 0.00523 0.02070 0.00412 0.01026 0.00014 86 3PX 0.01597 0.02879 -0.00352 0.01177 0.00002 87 3PY -0.00057 0.00180 -0.00221 0.00331 0.00001 88 3PZ 0.00405 0.01374 -0.00166 0.00582 -0.00049 89 4XX -0.00201 -0.00155 -0.00031 0.00088 -0.00008 90 4YY -0.00025 0.00116 0.00011 0.00057 0.00000 91 4ZZ 0.00264 -0.00164 -0.00033 -0.00229 0.00003 92 4XY 0.00148 -0.00405 -0.00142 -0.00286 -0.00001 93 4XZ -0.00013 -0.00435 -0.00108 -0.00204 -0.00014 94 4YZ -0.00005 -0.00456 -0.00177 -0.00225 -0.00004 95 9 H 1S -0.05395 0.00252 -0.00018 0.01405 -0.00033 96 2S -0.05132 0.00957 -0.00649 0.02118 0.00003 97 10 H 1S 0.05321 -0.00062 -0.03275 0.00182 -0.00046 98 2S 0.05940 -0.00550 -0.04660 -0.00344 -0.00112 99 11 C 1S 0.00444 0.00641 0.00523 -0.00358 -0.00080 100 2S -0.01031 -0.01376 -0.00969 0.00673 0.00130 101 2PX -0.01306 -0.02221 0.01512 0.00045 -0.00055 102 2PY 0.01033 -0.00645 0.00587 -0.00697 0.00089 103 2PZ -0.02962 -0.01983 -0.03845 0.01133 0.00258 104 3S 0.01325 -0.04951 -0.02284 -0.00729 0.00150 105 3PX -0.00855 -0.01467 0.00354 -0.00515 -0.00067 106 3PY -0.00848 -0.01148 0.00722 -0.00016 0.00085 107 3PZ -0.00547 -0.00461 -0.01771 0.00544 0.00143 108 4XX -0.00076 -0.00586 -0.00178 -0.00163 -0.00001 109 4YY -0.00258 0.00026 -0.00013 0.00133 0.00005 110 4ZZ 0.00336 0.00567 0.00314 -0.00042 -0.00011 111 4XY -0.00144 -0.00151 0.00105 0.00007 -0.00001 112 4XZ -0.00060 0.00016 0.00100 0.00128 0.00005 113 4YZ -0.00064 0.00078 -0.00167 0.00106 0.00009 114 12 H 1S 0.02092 0.01981 0.02578 -0.00544 -0.00086 115 2S 0.02508 0.04660 0.03337 -0.00233 -0.00103 116 13 H 1S -0.01502 -0.03447 -0.00227 -0.00079 0.00050 117 2S -0.01376 -0.02832 -0.00082 -0.00004 0.00001 118 14 C 1S 0.01311 0.00380 -0.00348 -0.00236 -0.00035 119 2S -0.02268 -0.00986 0.00517 0.00299 0.00054 120 2PX 0.06531 0.02459 -0.01161 -0.01823 -0.00036 121 2PY -0.01717 0.01253 -0.00780 0.01600 -0.00008 122 2PZ -0.04683 -0.01384 0.02513 0.00413 0.00076 123 3S -0.06191 -0.01100 0.02380 0.01168 0.00171 124 3PX 0.03593 0.00871 -0.01073 -0.01062 -0.00035 125 3PY -0.01389 0.01969 0.00106 0.01567 0.00007 126 3PZ -0.02412 -0.00260 0.01506 0.00320 0.00046 127 4XX -0.00046 0.00163 0.00205 0.00065 0.00006 128 4YY 0.00085 -0.00143 -0.00180 0.00018 0.00000 129 4ZZ 0.00166 -0.00045 -0.00059 -0.00151 -0.00007 130 4XY -0.00174 -0.00133 0.00012 0.00093 -0.00001 131 4XZ 0.00292 0.00088 -0.00124 -0.00014 -0.00001 132 4YZ -0.00025 -0.00013 -0.00139 0.00026 0.00005 133 15 H 1S 0.01612 -0.00418 -0.01296 -0.00567 -0.00017 134 2S 0.02477 0.00014 -0.01710 -0.00732 -0.00038 135 16 H 1S 0.02356 0.01370 0.00498 -0.00836 0.00027 136 2S 0.02297 0.02957 0.00938 0.00074 0.00023 137 17 H 1S 0.00797 0.01782 0.01075 0.00167 0.00048 138 2S 0.00758 0.02039 0.01381 0.00012 0.00043 139 18 H 1S 0.00977 -0.01278 -0.00787 -0.00834 -0.00030 140 2S 0.01501 -0.03174 -0.01640 -0.01833 -0.00041 141 19 O 1S -0.00149 0.00036 -0.00011 0.00205 0.00009 142 2S 0.00641 -0.00155 -0.00105 -0.00568 -0.00030 143 2PX 0.00854 -0.02170 -0.00217 -0.01803 0.00010 144 2PY 0.00835 0.00126 0.00103 -0.00503 -0.00007 145 2PZ -0.01133 -0.03543 0.00041 -0.01216 -0.00015 146 3S 0.00587 0.00152 0.00014 -0.00464 -0.00071 147 3PX 0.00559 -0.02051 -0.00226 -0.01529 0.00000 148 3PY 0.00722 0.00686 0.00143 -0.00110 -0.00011 149 3PZ -0.00619 -0.03490 -0.00288 -0.01450 -0.00016 150 4XX -0.00044 0.00213 0.00082 0.00124 0.00003 151 4YY 0.00061 0.00047 -0.00010 0.00001 0.00001 152 4ZZ -0.00002 -0.00210 -0.00084 -0.00107 -0.00001 153 4XY 0.00006 -0.00107 -0.00008 -0.00071 0.00001 154 4XZ -0.00034 -0.00041 0.00016 -0.00001 0.00000 155 4YZ -0.00041 -0.00051 0.00017 0.00003 -0.00001 156 20 O 1S 0.00144 -0.00170 0.00117 -0.00120 0.00003 157 2S -0.00728 0.00502 -0.00105 0.00430 0.00029 158 2PX 0.02297 0.00607 -0.00431 -0.01173 0.00189 159 2PY -0.00491 -0.01113 -0.00433 -0.00845 -0.00082 160 2PZ 0.05107 -0.00745 -0.01535 -0.03941 0.00109 161 3S -0.00297 0.01932 -0.00177 0.00850 0.00056 162 3PX 0.01868 -0.00006 -0.00418 -0.01154 0.00131 163 3PY -0.00435 -0.01577 -0.00375 -0.00897 -0.00067 164 3PZ 0.03328 -0.00944 -0.01008 -0.02903 0.00086 165 4XX 0.00091 -0.00020 -0.00041 -0.00044 -0.00003 166 4YY 0.00034 0.00150 0.00035 0.00067 0.00004 167 4ZZ -0.00145 -0.00106 0.00060 0.00020 -0.00004 168 4XY -0.00080 0.00012 0.00034 0.00044 -0.00009 169 4XZ 0.00037 -0.00182 -0.00029 -0.00077 -0.00007 170 4YZ -0.00217 -0.00051 0.00048 0.00129 -0.00002 171 21 C 1S 0.00095 -0.00300 -0.00022 -0.00183 -0.00009 172 2S 0.00127 0.01040 0.00173 0.00465 0.00005 173 2PX 0.00188 0.00523 0.00230 0.00312 0.00001 174 2PY 0.00092 -0.00693 -0.00236 -0.00256 -0.00017 175 2PZ -0.00741 0.00285 -0.00161 0.00213 0.00037 176 3S 0.00125 0.00937 0.00196 0.00541 0.00004 177 3PX 0.00035 -0.01783 -0.00140 -0.00728 0.00007 178 3PY 0.00330 -0.00998 -0.00365 -0.00533 -0.00030 179 3PZ 0.00191 -0.00054 -0.00216 -0.00404 0.00023 180 4XX 0.00161 -0.00123 -0.00034 -0.00156 0.00007 181 4YY -0.00058 0.00008 0.00009 0.00036 -0.00007 182 4ZZ -0.00114 0.00004 0.00003 0.00055 0.00000 183 4XY 0.00034 0.00088 -0.00002 0.00038 0.00005 184 4XZ 0.00144 -0.00114 -0.00035 -0.00147 0.00000 185 4YZ 0.00193 0.00131 -0.00034 -0.00071 0.00005 186 22 H 1S -0.00792 0.00601 0.00032 0.00599 0.00017 187 2S -0.01359 -0.00451 0.00105 0.00647 0.00001 188 23 H 1S 0.00698 -0.00700 -0.00194 -0.00765 0.00009 189 2S 0.01047 -0.02741 -0.00600 -0.02105 0.00027 56 57 58 59 60 56 4YY 0.00115 57 4ZZ -0.00055 0.00110 58 4XY 0.00010 -0.00021 0.00077 59 4XZ 0.00029 -0.00017 0.00002 0.00070 60 4YZ -0.00007 0.00015 -0.00032 -0.00039 0.00134 61 5 H 1S 0.00187 0.00086 0.00413 0.00003 -0.00776 62 2S -0.00152 0.00199 0.00450 -0.00047 -0.00806 63 6 H 1S -0.00398 0.00568 -0.00595 -0.00815 0.01197 64 2S -0.00348 0.00601 -0.00552 -0.00608 0.01152 65 7 C 1S -0.00010 0.00004 0.00000 -0.00007 -0.00005 66 2S 0.00011 -0.00016 -0.00028 0.00010 -0.00032 67 2PX -0.00035 0.00074 -0.00042 0.00113 0.00001 68 2PY 0.00051 -0.00118 0.00071 -0.00026 0.00007 69 2PZ -0.00016 0.00058 0.00046 0.00087 0.00003 70 3S 0.00130 -0.00033 -0.00078 0.00070 0.00103 71 3PX -0.00030 0.00036 -0.00031 0.00039 -0.00091 72 3PY 0.00056 -0.00039 -0.00069 0.00027 0.00071 73 3PZ 0.00012 0.00040 -0.00021 0.00058 0.00087 74 4XX 0.00004 0.00008 0.00016 -0.00003 0.00005 75 4YY 0.00000 0.00000 -0.00008 0.00003 -0.00004 76 4ZZ -0.00003 -0.00006 0.00002 -0.00005 0.00001 77 4XY -0.00008 0.00023 -0.00031 0.00019 -0.00002 78 4XZ 0.00006 -0.00007 0.00031 -0.00005 0.00011 79 4YZ -0.00008 0.00020 -0.00030 0.00021 -0.00004 80 8 C 1S -0.00019 -0.00079 0.00064 -0.00042 0.00008 81 2S -0.00014 0.00054 -0.00110 0.00088 -0.00014 82 2PX -0.00203 0.00379 -0.00483 0.00371 -0.00084 83 2PY -0.00055 0.00138 -0.00092 0.00057 -0.00005 84 2PZ -0.00171 0.00331 -0.00453 0.00410 -0.00075 85 3S -0.00167 0.00223 -0.00139 0.00138 -0.00157 86 3PX -0.00135 0.00275 -0.00429 0.00246 0.00007 87 3PY 0.00028 0.00112 -0.00220 0.00125 0.00037 88 3PZ -0.00116 0.00202 -0.00254 0.00261 -0.00142 89 4XX 0.00002 0.00034 -0.00016 0.00009 0.00004 90 4YY 0.00008 -0.00010 0.00001 -0.00003 -0.00002 91 4ZZ -0.00005 -0.00020 0.00016 -0.00007 0.00003 92 4XY 0.00003 -0.00001 -0.00002 0.00001 -0.00002 93 4XZ -0.00004 0.00024 -0.00010 0.00012 0.00001 94 4YZ -0.00001 -0.00005 -0.00005 0.00003 -0.00003 95 9 H 1S 0.00812 -0.00390 0.00110 0.00251 -0.00540 96 2S 0.00887 -0.00647 0.00127 0.00294 -0.00315 97 10 H 1S -0.00128 -0.00063 -0.00001 0.00045 -0.00187 98 2S -0.00111 -0.00081 -0.00060 0.00118 -0.00241 99 11 C 1S 0.00084 -0.00123 -0.00009 0.00097 -0.00088 100 2S -0.00166 0.00202 0.00010 -0.00212 0.00188 101 2PX 0.00297 -0.00498 -0.00083 0.00441 -0.00293 102 2PY -0.00122 0.00142 0.00141 -0.00173 0.00217 103 2PZ -0.00318 0.00489 0.00066 -0.00494 0.00269 104 3S -0.00463 0.00426 -0.00151 -0.00276 0.00347 105 3PX 0.00173 -0.00267 0.00010 0.00257 -0.00249 106 3PY 0.00016 0.00012 0.00119 -0.00113 0.00223 107 3PZ -0.00177 0.00201 -0.00006 -0.00265 0.00177 108 4XX -0.00013 0.00034 -0.00024 0.00028 0.00002 109 4YY 0.00035 -0.00027 0.00006 0.00006 -0.00004 110 4ZZ -0.00012 -0.00016 0.00026 -0.00023 -0.00020 111 4XY -0.00008 -0.00007 -0.00006 0.00010 -0.00004 112 4XZ 0.00025 -0.00033 -0.00008 0.00020 0.00006 113 4YZ 0.00006 0.00005 0.00005 -0.00018 0.00002 114 12 H 1S 0.00025 -0.00164 0.00075 0.00061 -0.00052 115 2S 0.00042 -0.00286 0.00152 0.00015 -0.00176 116 13 H 1S 0.00001 -0.00025 -0.00095 0.00152 -0.00018 117 2S 0.00008 0.00050 -0.00209 0.00261 -0.00057 118 14 C 1S -0.00016 0.00006 -0.00019 0.00011 0.00014 119 2S 0.00029 -0.00012 0.00042 -0.00015 -0.00067 120 2PX 0.00029 -0.00036 0.00099 -0.00019 0.00117 121 2PY 0.00184 -0.00130 -0.00100 0.00036 0.00007 122 2PZ -0.00088 0.00025 0.00074 -0.00048 -0.00095 123 3S 0.00200 -0.00190 0.00316 -0.00127 -0.00103 124 3PX 0.00052 -0.00053 0.00054 -0.00016 0.00135 125 3PY 0.00223 -0.00173 -0.00070 0.00043 0.00022 126 3PZ -0.00037 -0.00022 0.00025 -0.00036 -0.00098 127 4XX 0.00001 -0.00005 0.00043 -0.00007 0.00011 128 4YY -0.00009 0.00003 -0.00006 0.00001 -0.00010 129 4ZZ 0.00003 0.00008 -0.00040 0.00004 0.00011 130 4XY 0.00007 -0.00016 -0.00004 0.00014 -0.00020 131 4XZ -0.00004 0.00002 0.00000 0.00002 -0.00009 132 4YZ -0.00002 0.00011 0.00006 -0.00013 0.00019 133 15 H 1S 0.00009 0.00061 -0.00118 0.00007 0.00062 134 2S -0.00011 0.00099 -0.00307 0.00015 0.00105 135 16 H 1S -0.00023 0.00005 0.00205 -0.00071 0.00073 136 2S -0.00044 0.00039 0.00214 -0.00074 0.00096 137 17 H 1S 0.00024 -0.00076 0.00114 -0.00097 0.00011 138 2S 0.00047 -0.00211 0.00285 -0.00166 -0.00013 139 18 H 1S -0.00033 0.00053 -0.00141 0.00031 -0.00024 140 2S -0.00052 0.00087 -0.00233 0.00077 0.00015 141 19 O 1S 0.00005 -0.00009 0.00039 0.00001 0.00016 142 2S -0.00012 0.00025 -0.00091 0.00006 -0.00020 143 2PX -0.00069 -0.00045 -0.00128 -0.00034 -0.00087 144 2PY -0.00036 0.00042 -0.00035 0.00013 -0.00017 145 2PZ -0.00069 -0.00152 -0.00076 -0.00058 -0.00064 146 3S -0.00058 0.00027 -0.00184 0.00001 -0.00139 147 3PX -0.00055 -0.00055 -0.00063 -0.00044 -0.00081 148 3PY -0.00039 0.00036 -0.00066 0.00009 -0.00040 149 3PZ -0.00043 -0.00104 -0.00052 -0.00047 -0.00035 150 4XX 0.00000 -0.00003 0.00005 0.00001 0.00004 151 4YY 0.00000 0.00003 -0.00008 0.00003 0.00002 152 4ZZ 0.00005 0.00005 0.00003 0.00001 0.00007 153 4XY -0.00002 -0.00004 -0.00002 -0.00001 -0.00004 154 4XZ 0.00001 -0.00003 0.00012 0.00000 0.00004 155 4YZ -0.00004 -0.00001 -0.00008 0.00002 -0.00002 156 20 O 1S 0.00028 0.00067 -0.00020 0.00018 -0.00005 157 2S -0.00039 -0.00127 0.00052 -0.00032 -0.00006 158 2PX -0.00082 -0.00346 0.00193 -0.00084 0.00022 159 2PY -0.00040 -0.00045 -0.00018 -0.00034 -0.00009 160 2PZ -0.00148 -0.00451 0.00238 -0.00090 -0.00001 161 3S -0.00028 -0.00241 0.00047 -0.00121 0.00080 162 3PX -0.00044 -0.00271 0.00153 -0.00093 0.00048 163 3PY -0.00032 -0.00014 0.00013 -0.00014 -0.00010 164 3PZ -0.00085 -0.00364 0.00237 -0.00098 0.00000 165 4XX -0.00010 0.00012 -0.00017 0.00017 -0.00007 166 4YY 0.00003 0.00001 0.00003 0.00002 -0.00007 167 4ZZ 0.00006 0.00005 0.00013 -0.00009 0.00001 168 4XY 0.00003 0.00014 -0.00008 0.00003 -0.00004 169 4XZ -0.00002 0.00007 -0.00003 0.00004 0.00001 170 4YZ 0.00009 0.00013 -0.00005 -0.00001 0.00001 171 21 C 1S 0.00002 -0.00012 0.00007 -0.00017 0.00003 172 2S -0.00008 0.00036 -0.00038 0.00037 -0.00012 173 2PX 0.00020 0.00074 -0.00013 0.00031 0.00002 174 2PY 0.00003 0.00072 -0.00085 0.00048 -0.00029 175 2PZ 0.00024 -0.00003 -0.00004 -0.00002 -0.00005 176 3S -0.00007 0.00060 -0.00040 0.00059 -0.00008 177 3PX -0.00005 0.00013 0.00075 -0.00012 0.00037 178 3PY -0.00019 0.00076 -0.00114 0.00051 -0.00010 179 3PZ -0.00008 -0.00071 0.00007 -0.00021 -0.00012 180 4XX -0.00006 -0.00019 0.00006 -0.00005 -0.00002 181 4YY 0.00001 0.00006 -0.00001 0.00003 0.00001 182 4ZZ 0.00006 0.00007 0.00001 0.00000 0.00002 183 4XY 0.00001 -0.00007 0.00009 -0.00002 0.00002 184 4XZ -0.00009 -0.00016 0.00003 -0.00003 -0.00001 185 4YZ -0.00002 -0.00013 0.00014 -0.00003 0.00003 186 22 H 1S 0.00029 0.00050 -0.00017 0.00018 0.00001 187 2S 0.00042 0.00117 0.00023 0.00015 0.00039 188 23 H 1S -0.00041 -0.00097 0.00025 -0.00031 -0.00007 189 2S -0.00060 -0.00197 0.00113 -0.00088 0.00011 61 62 63 64 65 61 5 H 1S 0.21724 62 2S 0.17508 0.16429 63 6 H 1S -0.02200 -0.02493 0.21724 64 2S -0.02493 -0.03127 0.17508 0.16428 65 7 C 1S -0.00020 -0.00032 0.00002 -0.00006 2.05261 66 2S 0.00178 0.00115 -0.00081 -0.00124 -0.06335 67 2PX 0.00449 0.01194 0.00140 -0.00782 -0.01176 68 2PY -0.00132 -0.00115 -0.00105 -0.00046 -0.00635 69 2PZ 0.00415 0.00746 -0.00024 -0.00694 0.01404 70 3S -0.00487 -0.00909 0.00819 0.01021 -0.17197 71 3PX 0.01027 0.01681 -0.00087 -0.00999 -0.02120 72 3PY -0.00725 -0.01081 0.00425 0.00992 -0.00657 73 3PZ -0.00468 -0.00448 0.00481 0.00221 0.00675 74 4XX 0.00094 0.00039 0.00001 -0.00018 -0.01239 75 4YY -0.00008 -0.00004 0.00001 -0.00014 -0.01714 76 4ZZ -0.00042 0.00006 -0.00010 0.00003 -0.01510 77 4XY -0.00001 -0.00063 0.00040 0.00092 0.00069 78 4XZ 0.00034 0.00061 -0.00019 -0.00060 0.00382 79 4YZ 0.00014 -0.00044 0.00037 0.00057 -0.00389 80 8 C 1S 0.00002 -0.00007 -0.00021 -0.00032 0.01932 81 2S -0.00081 -0.00124 0.00178 0.00115 -0.04074 82 2PX 0.00140 -0.00782 0.00449 0.01194 -0.01093 83 2PY 0.00105 0.00046 0.00132 0.00115 0.08149 84 2PZ -0.00024 -0.00694 0.00415 0.00745 -0.00944 85 3S 0.00819 0.01022 -0.00487 -0.00908 0.00367 86 3PX -0.00087 -0.00998 0.01027 0.01681 -0.00176 87 3PY -0.00425 -0.00992 0.00725 0.01081 0.00214 88 3PZ 0.00481 0.00221 -0.00468 -0.00448 -0.00504 89 4XX 0.00001 -0.00018 0.00094 0.00039 0.00306 90 4YY 0.00001 -0.00014 -0.00008 -0.00004 -0.00652 91 4ZZ -0.00010 0.00003 -0.00042 0.00006 0.00376 92 4XY -0.00040 -0.00092 0.00001 0.00063 0.00011 93 4XZ -0.00019 -0.00060 0.00034 0.00061 -0.00126 94 4YZ -0.00037 -0.00057 -0.00014 0.00044 -0.00094 95 9 H 1S -0.00954 -0.01804 -0.02322 -0.02695 -0.00158 96 2S -0.02017 -0.02680 -0.02780 -0.03281 -0.00291 97 10 H 1S -0.02322 -0.02696 -0.00954 -0.01804 0.00351 98 2S -0.02780 -0.03281 -0.02017 -0.02680 0.00299 99 11 C 1S -0.00076 -0.00031 -0.00724 -0.00969 -0.00111 100 2S 0.00121 0.00002 0.01592 0.02215 0.00217 101 2PX -0.00236 0.00181 -0.02366 -0.04596 -0.00249 102 2PY -0.00106 -0.00123 0.01141 0.01667 -0.00146 103 2PZ 0.00145 -0.00429 0.02600 0.05317 0.00247 104 3S 0.00394 0.00086 0.04112 0.05161 0.00506 105 3PX -0.00101 0.00221 -0.02444 -0.03546 -0.00016 106 3PY -0.00013 0.00083 0.01410 0.01671 -0.00059 107 3PZ -0.00072 -0.00433 0.01728 0.03123 0.00228 108 4XX -0.00012 -0.00076 0.00073 0.00122 -0.00015 109 4YY -0.00007 -0.00031 0.00006 -0.00009 0.00001 110 4ZZ 0.00081 0.00187 -0.00217 -0.00316 -0.00016 111 4XY 0.00086 0.00188 -0.00056 -0.00134 -0.00002 112 4XZ -0.00019 -0.00024 0.00042 -0.00063 -0.00023 113 4YZ -0.00072 -0.00174 0.00069 0.00166 0.00005 114 12 H 1S 0.00337 0.00973 -0.00920 -0.02129 -0.00089 115 2S 0.00687 0.01666 -0.02202 -0.03595 -0.00225 116 13 H 1S -0.00040 0.00019 0.00019 -0.00468 -0.00017 117 2S 0.00029 -0.00060 0.00013 -0.00455 -0.00101 118 14 C 1S -0.00724 -0.00969 -0.00076 -0.00031 -0.00252 119 2S 0.01592 0.02215 0.00121 0.00002 0.00388 120 2PX -0.02366 -0.04596 -0.00236 0.00181 -0.00833 121 2PY -0.01142 -0.01669 0.00106 0.00123 -0.00134 122 2PZ 0.02600 0.05317 0.00145 -0.00429 -0.00374 123 3S 0.04112 0.05161 0.00394 0.00086 0.01271 124 3PX -0.02444 -0.03546 -0.00100 0.00221 -0.00698 125 3PY -0.01411 -0.01673 0.00013 -0.00083 -0.00303 126 3PZ 0.01727 0.03123 -0.00072 -0.00433 -0.00322 127 4XX 0.00073 0.00122 -0.00012 -0.00076 -0.00136 128 4YY 0.00006 -0.00009 -0.00007 -0.00031 0.00003 129 4ZZ -0.00217 -0.00316 0.00081 0.00188 0.00050 130 4XY 0.00056 0.00134 -0.00086 -0.00188 0.00038 131 4XZ 0.00043 -0.00063 -0.00019 -0.00024 -0.00042 132 4YZ -0.00069 -0.00166 0.00072 0.00174 0.00007 133 15 H 1S -0.00920 -0.02129 0.00337 0.00973 0.00527 134 2S -0.02202 -0.03594 0.00687 0.01666 0.00153 135 16 H 1S 0.00019 -0.00468 -0.00040 0.00019 -0.00569 136 2S 0.00013 -0.00455 0.00029 -0.00060 -0.00773 137 17 H 1S 0.00126 0.00342 -0.00203 -0.00328 0.01685 138 2S 0.00406 0.00957 -0.00887 -0.01223 0.02111 139 18 H 1S -0.00203 -0.00328 0.00125 0.00342 -0.06712 140 2S -0.00887 -0.01223 0.00406 0.00957 -0.01673 141 19 O 1S 0.00130 -0.00056 -0.00024 -0.00051 0.00575 142 2S -0.00406 -0.00094 0.00104 0.00232 -0.01014 143 2PX -0.00787 0.00138 -0.00036 0.00181 -0.05526 144 2PY 0.00129 -0.00569 -0.00029 0.00247 -0.02650 145 2PZ -0.01335 0.00826 -0.00078 -0.00436 0.03854 146 3S 0.00047 0.00858 -0.00178 -0.00258 0.00858 147 3PX -0.00364 0.00378 -0.00173 -0.00069 -0.02442 148 3PY 0.00134 -0.00261 -0.00055 0.00096 -0.02159 149 3PZ -0.01084 0.00332 -0.00012 -0.00156 0.01944 150 4XX -0.00012 0.00019 0.00000 -0.00020 -0.00264 151 4YY -0.00052 -0.00103 0.00012 0.00029 -0.00114 152 4ZZ 0.00005 -0.00066 0.00016 0.00056 -0.00133 153 4XY -0.00015 0.00023 -0.00010 -0.00003 -0.00424 154 4XZ 0.00039 0.00027 -0.00005 -0.00015 0.00528 155 4YZ -0.00060 0.00033 0.00007 -0.00010 0.00346 156 20 O 1S -0.00024 -0.00051 0.00130 -0.00056 -0.00167 157 2S 0.00104 0.00232 -0.00406 -0.00093 0.00707 158 2PX -0.00036 0.00181 -0.00787 0.00138 0.00948 159 2PY 0.00029 -0.00247 -0.00129 0.00569 -0.02371 160 2PZ -0.00078 -0.00436 -0.01335 0.00827 0.00043 161 3S -0.00178 -0.00258 0.00047 0.00859 -0.00448 162 3PX -0.00173 -0.00070 -0.00364 0.00378 0.00713 163 3PY 0.00055 -0.00096 -0.00134 0.00262 -0.01440 164 3PZ -0.00012 -0.00156 -0.01084 0.00333 0.00259 165 4XX 0.00000 -0.00020 -0.00012 0.00019 0.00035 166 4YY 0.00012 0.00029 -0.00052 -0.00103 0.00145 167 4ZZ 0.00016 0.00056 0.00005 -0.00066 0.00100 168 4XY 0.00010 0.00003 0.00015 -0.00023 0.00095 169 4XZ -0.00005 -0.00015 0.00039 0.00027 0.00014 170 4YZ -0.00007 0.00010 0.00060 -0.00033 -0.00075 171 21 C 1S -0.00011 0.00008 -0.00011 0.00008 -0.00314 172 2S -0.00046 -0.00106 -0.00046 -0.00106 0.00673 173 2PX 0.00046 -0.00132 0.00046 -0.00132 0.01268 174 2PY -0.00125 -0.00019 0.00125 0.00019 -0.00315 175 2PZ -0.00164 0.00139 -0.00164 0.00139 -0.00738 176 3S 0.00059 -0.00064 0.00059 -0.00065 0.01015 177 3PX 0.00267 0.00264 0.00268 0.00264 0.01056 178 3PY -0.00270 -0.00379 0.00270 0.00379 -0.00295 179 3PZ -0.00340 -0.00048 -0.00340 -0.00047 -0.00561 180 4XX -0.00036 -0.00001 -0.00036 -0.00001 -0.00080 181 4YY 0.00005 -0.00007 0.00005 -0.00008 0.00216 182 4ZZ 0.00009 -0.00007 0.00009 -0.00007 -0.00173 183 4XY 0.00016 0.00016 -0.00016 -0.00016 0.00068 184 4XZ -0.00029 0.00016 -0.00029 0.00016 0.00080 185 4YZ 0.00048 -0.00036 -0.00048 0.00036 -0.00033 186 22 H 1S 0.00014 0.00040 0.00013 0.00040 -0.00640 187 2S 0.00523 0.00336 0.00523 0.00336 -0.00610 188 23 H 1S -0.00125 0.00030 -0.00125 0.00030 -0.00128 189 2S -0.00258 0.00181 -0.00258 0.00182 0.00095 66 67 68 69 70 66 2S 0.33257 67 2PX 0.01998 0.35371 68 2PY 0.01501 -0.03631 0.42804 69 2PZ -0.02170 0.01905 0.02886 0.37250 70 3S 0.27273 0.08757 -0.01080 -0.02661 0.29971 71 3PX 0.04292 0.18178 -0.03495 0.08695 0.06706 72 3PY 0.00325 -0.04957 0.11867 -0.01997 0.00400 73 3PZ -0.02186 0.07208 -0.00936 0.15201 0.00050 74 4XX -0.01159 -0.01053 -0.00768 0.01098 -0.00903 75 4YY -0.00125 0.00616 0.01253 -0.00529 -0.00021 76 4ZZ -0.00556 0.00141 -0.01278 -0.00455 -0.00500 77 4XY -0.00120 -0.00172 -0.00375 0.01206 -0.00208 78 4XZ -0.00899 0.00965 0.01029 -0.00675 -0.00357 79 4YZ 0.00798 0.01323 -0.00743 -0.00864 0.01236 80 8 C 1S -0.04074 -0.01094 -0.08149 -0.00947 0.00368 81 2S 0.07597 0.02249 0.16744 0.01925 0.02478 82 2PX 0.02249 0.16291 -0.01405 0.10689 0.04727 83 2PY -0.16745 0.01401 -0.32253 0.03096 -0.13774 84 2PZ 0.01921 0.10689 -0.03108 0.12973 0.06410 85 3S 0.02479 0.04730 0.13772 0.06416 -0.03679 86 3PX 0.00269 0.10791 -0.01352 0.06752 0.02454 87 3PY -0.01919 0.01645 -0.09538 0.01932 0.00689 88 3PZ 0.01675 0.06606 -0.03743 0.08653 0.03435 89 4XX -0.00698 0.00153 -0.01249 0.00060 -0.00353 90 4YY 0.01196 -0.00050 0.00768 0.00132 0.01095 91 4ZZ -0.00871 -0.00354 -0.01074 -0.00492 -0.00908 92 4XY -0.00072 -0.01305 0.00508 -0.00442 -0.00647 93 4XZ 0.00299 -0.00134 0.00510 -0.00098 0.00359 94 4YZ 0.00176 -0.00411 -0.00039 -0.01358 0.00473 95 9 H 1S 0.00237 -0.00430 0.00874 -0.00434 0.01883 96 2S 0.00462 0.00196 0.01591 0.00488 0.02529 97 10 H 1S -0.00613 -0.01582 0.01298 -0.00548 -0.02333 98 2S -0.00426 -0.02176 0.01746 -0.01239 -0.02506 99 11 C 1S 0.00181 0.00869 -0.00054 0.00636 0.00590 100 2S -0.00414 -0.01777 0.00136 -0.01399 -0.00783 101 2PX 0.00432 0.02088 0.00079 0.01474 0.01472 102 2PY 0.00201 0.00592 0.00077 0.00442 0.00701 103 2PZ -0.00326 -0.01050 -0.00034 -0.01052 -0.01728 104 3S -0.00646 -0.06640 0.01067 -0.04808 -0.02351 105 3PX -0.00019 0.00533 0.00062 -0.00111 0.00234 106 3PY -0.00053 -0.00025 0.00522 -0.00525 0.00615 107 3PZ -0.00320 -0.01256 -0.00323 -0.01130 -0.01200 108 4XX 0.00025 0.00239 -0.00105 0.00074 0.00063 109 4YY -0.00008 -0.00133 0.00075 -0.00048 -0.00002 110 4ZZ 0.00035 -0.00044 0.00031 -0.00004 -0.00020 111 4XY -0.00012 0.00015 0.00039 0.00053 -0.00068 112 4XZ 0.00039 0.00156 0.00014 0.00103 0.00133 113 4YZ -0.00009 -0.00041 0.00071 -0.00021 -0.00091 114 12 H 1S 0.00093 -0.00030 -0.00055 0.00171 0.00694 115 2S 0.00354 0.01051 -0.00519 0.00986 0.00815 116 13 H 1S -0.00010 0.00825 -0.00090 0.00462 0.00309 117 2S 0.00165 0.02950 -0.00628 0.02402 0.00910 118 14 C 1S 0.00480 0.00742 -0.00329 0.00118 0.00751 119 2S -0.00790 -0.02077 0.00691 -0.00214 -0.01862 120 2PX 0.01838 0.02874 -0.01257 0.00752 0.03650 121 2PY 0.00288 0.00193 -0.00483 -0.00437 0.00836 122 2PZ 0.00642 0.00451 -0.00858 -0.00896 0.02678 123 3S -0.02730 -0.02700 0.02355 -0.01479 -0.03283 124 3PX 0.01247 0.00066 -0.00632 0.00749 0.01724 125 3PY 0.00508 0.01965 -0.00940 0.00328 0.01615 126 3PZ 0.00394 0.00522 -0.00968 -0.01191 0.01052 127 4XX 0.00219 0.00744 -0.00215 0.00482 0.00463 128 4YY -0.00022 -0.00284 0.00071 -0.00169 -0.00125 129 4ZZ -0.00107 -0.00457 0.00135 -0.00251 -0.00270 130 4XY -0.00071 -0.00066 0.00040 -0.00003 -0.00136 131 4XZ 0.00107 0.00081 -0.00036 -0.00008 0.00062 132 4YZ -0.00035 0.00036 -0.00022 0.00084 -0.00098 133 15 H 1S -0.00988 -0.02033 0.00878 -0.00529 -0.03048 134 2S -0.00350 -0.01467 0.00001 -0.01675 -0.02129 135 16 H 1S 0.01142 0.02669 -0.00982 0.01420 0.02482 136 2S 0.01691 0.06151 -0.01884 0.03321 0.03964 137 17 H 1S -0.03779 -0.01256 -0.04264 -0.00219 -0.07011 138 2S -0.04292 -0.02474 -0.07153 0.00606 -0.06765 139 18 H 1S 0.13219 0.07497 -0.16955 -0.18398 0.13428 140 2S 0.03913 0.03836 -0.14223 -0.16122 0.04264 141 19 O 1S -0.00817 0.02660 0.00953 -0.02436 0.03492 142 2S 0.01260 -0.06256 -0.03256 0.05495 -0.08912 143 2PX 0.11974 -0.16219 -0.10596 0.18092 0.03539 144 2PY 0.05514 -0.08201 -0.03448 0.07955 0.06760 145 2PZ -0.07485 0.18836 0.07734 -0.08635 -0.08962 146 3S -0.01457 -0.03691 0.02898 0.05866 -0.13466 147 3PX 0.05739 -0.09466 -0.05563 0.08461 0.00258 148 3PY 0.04412 -0.05065 -0.03050 0.06485 0.05257 149 3PZ -0.03657 0.09280 0.04358 -0.06402 -0.05650 150 4XX 0.00396 0.00732 -0.00643 0.00497 0.00520 151 4YY 0.00121 -0.00361 -0.00068 0.00434 0.00233 152 4ZZ 0.00154 -0.00647 -0.00547 -0.00851 0.00370 153 4XY 0.00849 -0.00830 0.00376 0.00942 0.00425 154 4XZ -0.00877 0.00426 0.00366 -0.00103 -0.00578 155 4YZ -0.00613 0.01220 -0.00314 -0.00307 -0.00522 156 20 O 1S 0.00506 -0.00606 0.00187 0.00720 -0.02204 157 2S -0.01595 0.01455 -0.01745 -0.01528 0.04463 158 2PX -0.02371 -0.05405 -0.04109 -0.03138 -0.03900 159 2PY 0.05641 -0.02194 0.05731 0.01761 0.12850 160 2PZ -0.00376 -0.05069 0.04294 -0.05474 -0.01852 161 3S -0.00280 0.04408 0.02610 -0.04175 0.08733 162 3PX -0.01771 -0.04782 -0.02586 -0.03641 -0.03136 163 3PY 0.03755 -0.02402 0.04144 0.00844 0.08187 164 3PZ -0.00727 -0.05535 0.03222 -0.04923 -0.02232 165 4XX -0.00011 0.00296 -0.00359 0.00422 0.00069 166 4YY -0.00240 0.00041 -0.00269 0.00110 -0.00732 167 4ZZ -0.00105 -0.00402 -0.00273 -0.00165 -0.00196 168 4XY -0.00216 0.00302 -0.00611 0.00029 0.00006 169 4XZ -0.00039 0.00122 -0.00119 -0.00038 -0.00026 170 4YZ 0.00153 -0.00079 0.00423 -0.00014 -0.00025 171 21 C 1S 0.00638 -0.01153 0.00990 0.00088 0.00659 172 2S -0.01754 0.03151 -0.03286 0.00092 -0.00918 173 2PX -0.03068 0.02353 -0.02099 -0.02324 -0.04601 174 2PY 0.00785 -0.03051 -0.02360 0.03727 -0.01697 175 2PZ 0.01915 -0.02701 0.00820 -0.00102 0.03497 176 3S -0.01295 0.04936 -0.04940 -0.00081 0.00518 177 3PX -0.01966 -0.00273 -0.01597 -0.03446 -0.02794 178 3PY 0.00740 -0.03168 -0.00310 0.02777 -0.00490 179 3PZ 0.00942 -0.01389 0.00427 -0.00634 0.00687 180 4XX 0.00210 -0.00733 -0.00190 0.00471 -0.00284 181 4YY -0.00472 0.00926 0.00494 -0.00647 -0.00306 182 4ZZ 0.00371 -0.00745 -0.00112 0.00216 0.00512 183 4XY -0.00166 0.00086 -0.00201 -0.00226 -0.00068 184 4XZ -0.00197 0.00588 -0.00055 -0.00268 -0.00163 185 4YZ 0.00055 -0.00624 0.00076 -0.00037 0.00114 186 22 H 1S 0.01540 -0.02378 -0.00702 0.01456 0.03113 187 2S 0.01494 -0.04144 0.00542 0.01429 0.02964 188 23 H 1S 0.00251 -0.00526 -0.00494 0.00591 -0.00401 189 2S -0.00188 -0.03558 0.00678 -0.02528 -0.02481 71 72 73 74 75 71 3PX 0.12474 72 3PY -0.03311 0.05431 73 3PZ 0.06146 -0.02263 0.08173 74 4XX -0.00247 -0.00219 0.00351 0.00257 75 4YY -0.00008 0.00157 -0.00049 -0.00066 0.00122 76 4ZZ 0.00044 -0.00161 -0.00234 -0.00051 -0.00036 77 4XY 0.00129 -0.00261 0.00470 0.00076 -0.00008 78 4XZ 0.00042 0.00122 0.00012 -0.00029 0.00086 79 4YZ 0.00582 -0.00152 -0.00033 -0.00050 0.00004 80 8 C 1S -0.00177 -0.00213 -0.00504 0.00306 -0.00652 81 2S 0.00269 0.01918 0.01675 -0.00698 0.01196 82 2PX 0.10791 -0.01648 0.06605 0.00153 -0.00050 83 2PY 0.01350 -0.09537 0.03739 0.01249 -0.00768 84 2PZ 0.06753 -0.01937 0.08653 0.00060 0.00131 85 3S 0.02456 -0.00691 0.03436 -0.00353 0.01095 86 3PX 0.06258 -0.01793 0.05315 0.00135 0.00199 87 3PY 0.01791 -0.01861 0.01741 0.00402 -0.00317 88 3PZ 0.05316 -0.01743 0.04910 0.00175 -0.00133 89 4XX 0.00135 -0.00402 0.00175 0.00068 -0.00030 90 4YY 0.00199 0.00317 -0.00132 -0.00030 -0.00012 91 4ZZ -0.00425 -0.00188 -0.00197 0.00019 -0.00030 92 4XY -0.00819 0.00235 -0.00436 0.00013 -0.00009 93 4XZ 0.00003 0.00294 -0.00229 -0.00006 -0.00025 94 4YZ -0.00509 0.00303 -0.00620 -0.00048 0.00008 95 9 H 1S -0.00227 0.00883 -0.00334 -0.00027 0.00011 96 2S 0.00329 0.00984 0.00171 0.00020 0.00003 97 10 H 1S -0.01586 -0.00394 -0.00445 0.00013 0.00115 98 2S -0.01979 -0.00221 -0.00895 -0.00085 0.00170 99 11 C 1S 0.00659 -0.00087 0.00574 -0.00012 0.00005 100 2S -0.01730 0.00302 -0.00704 0.00019 0.00008 101 2PX 0.01933 0.00355 0.00955 -0.00068 0.00046 102 2PY 0.00217 0.00163 0.00872 -0.00028 -0.00026 103 2PZ -0.01183 0.00358 -0.00538 -0.00014 0.00027 104 3S -0.04975 0.01822 -0.03325 -0.00132 -0.00051 105 3PX 0.00345 0.00167 0.00066 -0.00064 0.00060 106 3PY -0.00336 0.00512 0.00081 -0.00024 -0.00012 107 3PZ -0.01093 0.00281 -0.00581 -0.00021 -0.00002 108 4XX 0.00100 0.00021 0.00097 -0.00006 0.00007 109 4YY -0.00067 0.00047 -0.00066 0.00003 -0.00001 110 4ZZ 0.00017 -0.00081 -0.00019 -0.00002 -0.00003 111 4XY 0.00054 0.00060 -0.00011 0.00007 -0.00001 112 4XZ 0.00122 -0.00003 0.00086 -0.00001 0.00003 113 4YZ -0.00033 0.00057 -0.00004 -0.00002 0.00003 114 12 H 1S 0.00101 -0.00437 0.00150 0.00022 -0.00037 115 2S 0.01119 -0.01101 0.00609 0.00037 -0.00044 116 13 H 1S 0.00534 0.00559 0.00481 -0.00021 0.00033 117 2S 0.02228 0.00152 0.01616 0.00068 0.00028 118 14 C 1S 0.00620 -0.00413 0.00045 -0.00102 0.00005 119 2S -0.00786 0.00703 -0.00999 0.00157 -0.00062 120 2PX 0.01115 -0.02235 0.01892 -0.00369 0.00094 121 2PY -0.00189 -0.00382 -0.00286 -0.00007 0.00025 122 2PZ 0.00121 -0.01032 -0.00721 -0.00053 -0.00026 123 3S -0.01694 0.01115 -0.01681 0.00053 0.00010 124 3PX -0.00040 -0.00820 0.00772 -0.00120 -0.00021 125 3PY 0.01069 -0.00503 0.00600 0.00009 0.00016 126 3PZ 0.00267 -0.00539 -0.00718 -0.00164 -0.00010 127 4XX 0.00475 -0.00286 0.00364 0.00008 -0.00005 128 4YY -0.00209 0.00033 -0.00131 -0.00006 0.00005 129 4ZZ -0.00276 0.00257 -0.00178 -0.00011 0.00000 130 4XY -0.00007 0.00068 -0.00051 0.00012 -0.00001 131 4XZ 0.00061 -0.00055 0.00031 -0.00013 0.00004 132 4YZ 0.00028 0.00030 0.00062 0.00010 -0.00003 133 15 H 1S -0.00988 0.01592 -0.00562 0.00064 -0.00016 134 2S -0.00873 0.01604 -0.00795 -0.00125 0.00008 135 16 H 1S 0.01504 -0.01742 0.01523 -0.00108 0.00009 136 2S 0.03713 -0.02693 0.03098 -0.00018 0.00024 137 17 H 1S -0.00642 -0.02493 -0.00022 0.00263 0.00051 138 2S -0.00799 -0.02647 -0.00150 0.00349 -0.00295 139 18 H 1S 0.02269 -0.03639 -0.06121 -0.00934 -0.00167 140 2S -0.00484 -0.02192 -0.05495 -0.00724 -0.00147 141 19 O 1S -0.00475 0.01020 0.00952 -0.00322 0.00182 142 2S 0.01373 -0.02120 -0.02437 0.00839 -0.00409 143 2PX -0.03146 -0.01152 0.03240 -0.00944 -0.00918 144 2PY 0.02144 0.04807 0.00630 0.01046 -0.01654 145 2PZ 0.07251 0.03329 -0.03092 -0.02940 0.00565 146 3S 0.02485 -0.01206 -0.02985 0.00468 -0.00024 147 3PX -0.02166 0.00067 0.00691 -0.00783 -0.00558 148 3PY 0.01953 0.02862 0.00931 0.00632 -0.01096 149 3PZ 0.03126 0.02424 -0.02963 -0.02040 0.00316 150 4XX 0.00493 -0.00303 0.00340 -0.00032 -0.00004 151 4YY 0.00108 0.00265 0.00113 0.00061 -0.00085 152 4ZZ -0.00568 -0.00102 -0.00309 0.00039 0.00003 153 4XY -0.00179 0.00214 0.00152 -0.00057 -0.00024 154 4XZ 0.00025 0.00086 0.00111 0.00006 0.00022 155 4YZ 0.00470 -0.00169 0.00029 -0.00114 0.00030 156 20 O 1S 0.00010 -0.00840 -0.00190 0.00001 -0.00112 157 2S -0.00143 0.01356 0.00723 0.00037 0.00166 158 2PX -0.06129 -0.00425 -0.00347 -0.00316 0.00309 159 2PY 0.02258 0.07207 -0.02403 0.00010 -0.00537 160 2PZ -0.06052 0.04182 -0.03842 -0.00257 -0.00238 161 3S 0.00886 0.03795 -0.00345 -0.00164 0.00285 162 3PX -0.05161 0.00043 -0.01116 -0.00260 0.00146 163 3PY 0.00998 0.05021 -0.01957 0.00019 -0.00403 164 3PZ -0.05506 0.03132 -0.03403 -0.00153 -0.00135 165 4XX 0.00177 -0.00133 0.00260 -0.00003 0.00007 166 4YY -0.00045 -0.00374 0.00171 0.00023 0.00005 167 4ZZ -0.00144 -0.00125 -0.00161 0.00020 -0.00008 168 4XY 0.00314 -0.00169 0.00009 0.00042 -0.00039 169 4XZ 0.00114 0.00043 -0.00069 0.00002 -0.00029 170 4YZ -0.00006 -0.00031 0.00022 -0.00011 0.00036 171 21 C 1S -0.00869 0.00707 -0.00110 -0.00090 0.00096 172 2S 0.01919 -0.01699 0.00906 0.00265 -0.00239 173 2PX 0.02153 -0.00387 -0.00788 0.00613 -0.00375 174 2PY -0.02817 -0.02954 0.02185 -0.00294 0.00283 175 2PZ -0.02188 -0.00446 -0.00484 -0.00296 0.00195 176 3S 0.02303 -0.02300 0.01582 0.00059 -0.00173 177 3PX -0.00701 0.00175 -0.01562 0.00036 -0.00157 178 3PY -0.01051 0.00031 0.00461 0.00021 -0.00093 179 3PZ -0.01224 0.00257 -0.00743 -0.00345 0.00071 180 4XX -0.00316 0.00097 0.00061 -0.00048 -0.00031 181 4YY 0.00456 0.00140 -0.00241 0.00034 0.00018 182 4ZZ -0.00388 -0.00126 0.00064 0.00021 0.00013 183 4XY -0.00386 -0.00347 0.00208 -0.00027 0.00068 184 4XZ 0.00126 0.00087 -0.00070 -0.00104 0.00015 185 4YZ -0.00306 0.00150 -0.00113 0.00104 -0.00032 186 22 H 1S -0.01290 -0.01181 0.00640 0.00094 0.00056 187 2S -0.01985 -0.00733 0.00350 0.00366 0.00073 188 23 H 1S -0.00738 0.00321 0.00178 -0.00398 -0.00002 189 2S -0.03243 0.01793 -0.02142 -0.00782 0.00013 76 77 78 79 80 76 4ZZ 0.00177 77 4XY -0.00055 0.00157 78 4XZ -0.00049 -0.00038 0.00159 79 4YZ 0.00000 -0.00056 0.00008 0.00181 80 8 C 1S 0.00376 -0.00011 -0.00126 0.00093 2.05261 81 2S -0.00871 0.00072 0.00299 -0.00175 -0.06334 82 2PX -0.00354 0.01305 -0.00134 0.00411 -0.01176 83 2PY 0.01074 0.00508 -0.00510 -0.00040 0.00634 84 2PZ -0.00492 0.00442 -0.00098 0.01358 0.01404 85 3S -0.00908 0.00648 0.00359 -0.00473 -0.17198 86 3PX -0.00425 0.00819 0.00003 0.00509 -0.02120 87 3PY 0.00188 0.00235 -0.00294 0.00302 0.00657 88 3PZ -0.00196 0.00436 -0.00229 0.00620 0.00674 89 4XX 0.00019 -0.00013 -0.00006 0.00048 -0.01239 90 4YY -0.00031 0.00009 -0.00025 -0.00008 -0.01714 91 4ZZ 0.00079 0.00000 -0.00011 -0.00019 -0.01510 92 4XY 0.00000 0.00003 -0.00031 -0.00058 -0.00069 93 4XZ -0.00011 0.00031 0.00001 -0.00019 0.00382 94 4YZ 0.00019 -0.00058 0.00019 0.00061 0.00389 95 9 H 1S -0.00015 -0.00109 0.00041 -0.00054 0.00352 96 2S -0.00073 -0.00139 0.00109 -0.00106 0.00300 97 10 H 1S -0.00051 -0.00129 0.00029 -0.00132 -0.00157 98 2S -0.00047 -0.00010 -0.00036 -0.00092 -0.00290 99 11 C 1S -0.00043 0.00017 0.00013 0.00020 -0.00252 100 2S 0.00076 -0.00072 -0.00013 -0.00039 0.00388 101 2PX -0.00081 0.00117 0.00000 0.00086 -0.00833 102 2PY -0.00015 -0.00033 0.00030 0.00029 0.00134 103 2PZ 0.00080 0.00008 0.00001 -0.00017 -0.00374 104 3S 0.00260 -0.00093 -0.00191 -0.00113 0.01272 105 3PX -0.00021 0.00002 0.00029 0.00053 -0.00698 106 3PY 0.00006 -0.00104 0.00101 -0.00020 0.00303 107 3PZ 0.00076 0.00008 -0.00045 -0.00033 -0.00322 108 4XX -0.00007 0.00035 -0.00009 0.00034 -0.00136 109 4YY 0.00001 -0.00013 0.00005 -0.00013 0.00003 110 4ZZ 0.00003 -0.00023 0.00006 -0.00018 0.00050 111 4XY -0.00004 0.00004 0.00000 -0.00001 -0.00038 112 4XZ -0.00007 0.00002 0.00002 0.00001 -0.00042 113 4YZ 0.00001 -0.00005 0.00000 -0.00007 -0.00008 114 12 H 1S -0.00001 -0.00092 0.00020 -0.00054 0.00527 115 2S -0.00021 -0.00096 0.00034 -0.00087 0.00154 116 13 H 1S -0.00032 0.00129 -0.00034 0.00108 -0.00569 117 2S -0.00144 0.00305 -0.00062 0.00220 -0.00774 118 14 C 1S -0.00016 0.00019 0.00002 0.00076 -0.00111 119 2S -0.00010 -0.00037 -0.00007 -0.00131 0.00217 120 2PX 0.00063 0.00065 -0.00012 0.00182 -0.00249 121 2PY 0.00044 -0.00021 0.00013 -0.00009 0.00146 122 2PZ 0.00031 -0.00053 0.00085 0.00048 0.00247 123 3S 0.00097 -0.00252 0.00241 -0.00406 0.00506 124 3PX 0.00054 0.00016 -0.00067 0.00018 -0.00016 125 3PY -0.00022 -0.00030 0.00049 0.00080 0.00059 126 3PZ 0.00151 -0.00096 -0.00008 0.00020 0.00228 127 4XX -0.00012 -0.00002 0.00026 0.00012 -0.00015 128 4YY 0.00008 -0.00005 -0.00009 -0.00007 0.00001 129 4ZZ 0.00012 0.00006 -0.00026 -0.00005 -0.00016 130 4XY -0.00004 -0.00003 0.00001 -0.00007 0.00002 131 4XZ 0.00001 0.00005 -0.00010 0.00011 -0.00023 132 4YZ -0.00002 0.00003 0.00002 -0.00001 -0.00005 133 15 H 1S 0.00013 0.00028 -0.00112 -0.00061 -0.00089 134 2S 0.00120 0.00041 -0.00224 0.00075 -0.00225 135 16 H 1S -0.00012 0.00011 0.00077 0.00087 -0.00017 136 2S -0.00138 0.00081 0.00156 0.00221 -0.00101 137 17 H 1S 0.00228 0.00243 -0.00114 -0.00701 -0.06712 138 2S 0.00487 0.00041 -0.00217 -0.00665 -0.01673 139 18 H 1S 0.00676 -0.00634 -0.00355 0.01345 0.01685 140 2S 0.00845 -0.00604 -0.00266 0.01024 0.02111 141 19 O 1S -0.00090 -0.00470 0.00505 0.00413 -0.00167 142 2S 0.00235 0.01079 -0.01161 -0.00922 0.00707 143 2PX 0.01398 0.00448 -0.02005 -0.01220 0.00948 144 2PY 0.00638 -0.01261 -0.01476 0.00926 0.02371 145 2PZ 0.02477 -0.01652 0.00340 0.00084 0.00044 146 3S 0.00267 0.01469 -0.00972 -0.01448 -0.00448 147 3PX 0.01124 -0.00028 -0.01187 -0.00699 0.00713 148 3PY 0.00436 -0.00710 -0.01042 0.00564 0.01439 149 3PZ 0.01746 -0.01091 0.00064 -0.00083 0.00260 150 4XX 0.00019 0.00022 -0.00006 0.00013 0.00035 151 4YY 0.00032 -0.00094 -0.00074 0.00074 0.00145 152 4ZZ -0.00048 0.00014 0.00023 0.00017 0.00100 153 4XY 0.00030 0.00006 -0.00079 -0.00053 -0.00095 154 4XZ -0.00002 -0.00024 0.00065 0.00001 0.00014 155 4YZ 0.00107 -0.00033 0.00029 0.00010 0.00075 156 20 O 1S -0.00027 0.00006 -0.00024 -0.00031 0.00575 157 2S 0.00067 0.00010 0.00049 0.00054 -0.01014 158 2PX 0.00289 -0.00582 0.00024 0.00542 -0.05526 159 2PY 0.00049 0.00300 -0.00140 -0.00364 0.02649 160 2PZ 0.00310 0.00420 -0.00091 -0.00347 0.03854 161 3S -0.00035 0.00067 0.00291 0.00097 0.00859 162 3PX 0.00278 -0.00413 0.00006 0.00252 -0.02442 163 3PY 0.00066 0.00134 -0.00124 -0.00270 0.02158 164 3PZ 0.00229 0.00166 -0.00035 -0.00313 0.01945 165 4XX -0.00004 0.00054 -0.00008 0.00008 -0.00264 166 4YY -0.00002 -0.00036 -0.00014 0.00034 -0.00114 167 4ZZ 0.00005 -0.00011 0.00004 -0.00041 -0.00134 168 4XY 0.00015 0.00033 -0.00011 -0.00019 0.00424 169 4XZ 0.00022 0.00000 -0.00009 0.00008 0.00528 170 4YZ -0.00031 -0.00040 0.00015 0.00004 -0.00346 171 21 C 1S -0.00057 0.00137 -0.00004 -0.00181 -0.00314 172 2S 0.00111 -0.00301 -0.00068 0.00437 0.00673 173 2PX 0.00264 -0.00532 -0.00384 0.00547 0.01268 174 2PY -0.00156 0.00802 -0.00057 -0.00723 0.00315 175 2PZ -0.00165 0.00251 0.00166 -0.00160 -0.00738 176 3S 0.00098 -0.00263 0.00112 0.00502 0.01015 177 3PX 0.00328 -0.00344 -0.00084 0.00130 0.01056 178 3PY 0.00015 0.00334 -0.00257 -0.00314 0.00295 179 3PZ 0.00177 0.00021 -0.00038 -0.00124 -0.00561 180 4XX 0.00078 -0.00045 -0.00076 -0.00012 -0.00080 181 4YY -0.00013 0.00018 0.00039 0.00003 0.00216 182 4ZZ -0.00067 0.00033 0.00018 -0.00020 -0.00173 183 4XY -0.00053 0.00051 0.00063 -0.00023 -0.00068 184 4XZ 0.00079 -0.00003 0.00020 -0.00020 0.00080 185 4YZ -0.00065 0.00033 -0.00006 0.00012 0.00033 186 22 H 1S -0.00334 0.00174 0.00116 0.00005 -0.00640 187 2S -0.00572 0.00256 0.00167 -0.00088 -0.00610 188 23 H 1S 0.00291 -0.00086 -0.00022 -0.00136 -0.00128 189 2S 0.00705 -0.00259 -0.00116 -0.00382 0.00095 81 82 83 84 85 81 2S 0.33256 82 2PX 0.01998 0.35371 83 2PY -0.01501 0.03630 0.42805 84 2PZ -0.02170 0.01906 -0.02885 0.37249 85 3S 0.27274 0.08760 0.01081 -0.02658 0.29975 86 3PX 0.04292 0.18177 0.03493 0.08694 0.06709 87 3PY -0.00325 0.04955 0.11867 0.01996 -0.00400 88 3PZ -0.02185 0.07208 0.00935 0.15202 0.00052 89 4XX -0.01159 -0.01053 0.00768 0.01099 -0.00903 90 4YY -0.00125 0.00616 -0.01253 -0.00529 -0.00021 91 4ZZ -0.00556 0.00140 0.01278 -0.00454 -0.00500 92 4XY 0.00120 0.00172 -0.00375 -0.01206 0.00208 93 4XZ -0.00899 0.00965 -0.01029 -0.00676 -0.00357 94 4YZ -0.00798 -0.01323 -0.00744 0.00864 -0.01236 95 9 H 1S -0.00613 -0.01583 -0.01299 -0.00548 -0.02334 96 2S -0.00427 -0.02177 -0.01747 -0.01240 -0.02507 97 10 H 1S 0.00237 -0.00430 -0.00874 -0.00434 0.01882 98 2S 0.00461 0.00196 -0.01590 0.00488 0.02528 99 11 C 1S 0.00480 0.00742 0.00329 0.00118 0.00752 100 2S -0.00791 -0.02078 -0.00691 -0.00214 -0.01863 101 2PX 0.01839 0.02875 0.01257 0.00752 0.03653 102 2PY -0.00289 -0.00193 -0.00484 0.00437 -0.00836 103 2PZ 0.00643 0.00451 0.00859 -0.00897 0.02679 104 3S -0.02731 -0.02701 -0.02355 -0.01480 -0.03285 105 3PX 0.01248 0.00066 0.00632 0.00749 0.01725 106 3PY -0.00508 -0.01966 -0.00941 -0.00327 -0.01615 107 3PZ 0.00394 0.00522 0.00968 -0.01192 0.01052 108 4XX 0.00219 0.00744 0.00215 0.00482 0.00463 109 4YY -0.00022 -0.00284 -0.00071 -0.00169 -0.00125 110 4ZZ -0.00107 -0.00457 -0.00135 -0.00251 -0.00270 111 4XY 0.00071 0.00066 0.00040 0.00003 0.00136 112 4XZ 0.00107 0.00081 0.00036 -0.00008 0.00062 113 4YZ 0.00035 -0.00036 -0.00022 -0.00084 0.00098 114 12 H 1S -0.00989 -0.02034 -0.00879 -0.00529 -0.03049 115 2S -0.00350 -0.01468 -0.00001 -0.01675 -0.02130 116 13 H 1S 0.01142 0.02669 0.00982 0.01420 0.02484 117 2S 0.01692 0.06151 0.01884 0.03321 0.03966 118 14 C 1S 0.00181 0.00868 0.00054 0.00636 0.00590 119 2S -0.00414 -0.01776 -0.00136 -0.01399 -0.00783 120 2PX 0.00432 0.02088 -0.00080 0.01474 0.01472 121 2PY -0.00201 -0.00592 0.00077 -0.00442 -0.00700 122 2PZ -0.00326 -0.01050 0.00034 -0.01052 -0.01729 123 3S -0.00646 -0.06639 -0.01066 -0.04806 -0.02351 124 3PX -0.00019 0.00533 -0.00062 -0.00111 0.00234 125 3PY 0.00054 0.00025 0.00521 0.00526 -0.00614 126 3PZ -0.00320 -0.01256 0.00324 -0.01129 -0.01200 127 4XX 0.00025 0.00239 0.00105 0.00074 0.00063 128 4YY -0.00008 -0.00133 -0.00075 -0.00048 -0.00002 129 4ZZ 0.00035 -0.00044 -0.00031 -0.00004 -0.00020 130 4XY 0.00012 -0.00015 0.00039 -0.00053 0.00068 131 4XZ 0.00039 0.00156 -0.00014 0.00103 0.00133 132 4YZ 0.00009 0.00041 0.00071 0.00021 0.00091 133 15 H 1S 0.00093 -0.00030 0.00055 0.00171 0.00694 134 2S 0.00354 0.01051 0.00519 0.00986 0.00816 135 16 H 1S -0.00011 0.00824 0.00090 0.00462 0.00309 136 2S 0.00165 0.02949 0.00627 0.02402 0.00911 137 17 H 1S 0.13219 0.07497 0.16959 -0.18395 0.13428 138 2S 0.03913 0.03835 0.14226 -0.16120 0.04263 139 18 H 1S -0.03778 -0.01256 0.04264 -0.00217 -0.07012 140 2S -0.04292 -0.02474 0.07154 0.00608 -0.06765 141 19 O 1S 0.00506 -0.00606 -0.00188 0.00720 -0.02204 142 2S -0.01595 0.01455 0.01746 -0.01528 0.04462 143 2PX -0.02371 -0.05405 0.04110 -0.03137 -0.03900 144 2PY -0.05641 0.02195 0.05733 -0.01758 -0.12849 145 2PZ -0.00378 -0.05069 -0.04291 -0.05475 -0.01855 146 3S -0.00280 0.04409 -0.02608 -0.04176 0.08732 147 3PX -0.01771 -0.04782 0.02587 -0.03640 -0.03136 148 3PY -0.03754 0.02403 0.04145 -0.00841 -0.08186 149 3PZ -0.00729 -0.05535 -0.03219 -0.04924 -0.02234 150 4XX -0.00011 0.00296 0.00359 0.00422 0.00069 151 4YY -0.00240 0.00041 0.00269 0.00110 -0.00732 152 4ZZ -0.00105 -0.00402 0.00274 -0.00165 -0.00196 153 4XY 0.00216 -0.00302 -0.00611 -0.00029 -0.00006 154 4XZ -0.00039 0.00122 0.00119 -0.00038 -0.00026 155 4YZ -0.00153 0.00079 0.00423 0.00014 0.00025 156 20 O 1S -0.00817 0.02660 -0.00952 -0.02436 0.03492 157 2S 0.01260 -0.06256 0.03254 0.05495 -0.08914 158 2PX 0.11975 -0.16221 0.10592 0.18094 0.03541 159 2PY -0.05513 0.08197 -0.03444 -0.07953 -0.06759 160 2PZ -0.07486 0.18837 -0.07733 -0.08637 -0.08964 161 3S -0.01458 -0.03692 -0.02900 0.05863 -0.13469 162 3PX 0.05739 -0.09468 0.05561 0.08462 0.00258 163 3PY -0.04411 0.05063 -0.03048 -0.06483 -0.05256 164 3PZ -0.03657 0.09281 -0.04357 -0.06404 -0.05651 165 4XX 0.00397 0.00732 0.00643 0.00497 0.00520 166 4YY 0.00121 -0.00361 0.00068 0.00434 0.00233 167 4ZZ 0.00154 -0.00647 0.00547 -0.00850 0.00370 168 4XY -0.00848 0.00830 0.00376 -0.00941 -0.00425 169 4XZ -0.00877 0.00427 -0.00366 -0.00104 -0.00578 170 4YZ 0.00613 -0.01220 -0.00314 0.00307 0.00522 171 21 C 1S 0.00638 -0.01152 -0.00990 0.00088 0.00659 172 2S -0.01754 0.03151 0.03286 0.00093 -0.00918 173 2PX -0.03068 0.02354 0.02100 -0.02323 -0.04600 174 2PY -0.00786 0.03051 -0.02358 -0.03727 0.01696 175 2PZ 0.01914 -0.02701 -0.00821 -0.00103 0.03497 176 3S -0.01295 0.04935 0.04940 -0.00080 0.00519 177 3PX -0.01965 -0.00272 0.01598 -0.03445 -0.02794 178 3PY -0.00741 0.03168 -0.00309 -0.02777 0.00489 179 3PZ 0.00942 -0.01388 -0.00427 -0.00635 0.00687 180 4XX 0.00210 -0.00733 0.00190 0.00471 -0.00284 181 4YY -0.00472 0.00926 -0.00494 -0.00647 -0.00306 182 4ZZ 0.00371 -0.00745 0.00112 0.00216 0.00512 183 4XY 0.00166 -0.00086 -0.00201 0.00227 0.00068 184 4XZ -0.00197 0.00588 0.00055 -0.00268 -0.00163 185 4YZ -0.00056 0.00624 0.00076 0.00037 -0.00114 186 22 H 1S 0.01540 -0.02377 0.00702 0.01456 0.03113 187 2S 0.01494 -0.04143 -0.00542 0.01429 0.02963 188 23 H 1S 0.00251 -0.00526 0.00494 0.00591 -0.00401 189 2S -0.00188 -0.03558 -0.00677 -0.02528 -0.02482 86 87 88 89 90 86 3PX 0.12473 87 3PY 0.03309 0.05430 88 3PZ 0.06146 0.02262 0.08174 89 4XX -0.00247 0.00219 0.00351 0.00257 90 4YY -0.00008 -0.00157 -0.00049 -0.00066 0.00122 91 4ZZ 0.00043 0.00161 -0.00234 -0.00051 -0.00036 92 4XY -0.00129 -0.00261 -0.00470 -0.00076 0.00008 93 4XZ 0.00042 -0.00122 0.00012 -0.00029 0.00086 94 4YZ -0.00582 -0.00152 0.00033 0.00050 -0.00004 95 9 H 1S -0.01587 0.00394 -0.00445 0.00013 0.00115 96 2S -0.01980 0.00221 -0.00895 -0.00085 0.00170 97 10 H 1S -0.00227 -0.00882 -0.00334 -0.00027 0.00011 98 2S 0.00329 -0.00983 0.00171 0.00021 0.00003 99 11 C 1S 0.00620 0.00413 0.00045 -0.00102 0.00005 100 2S -0.00786 -0.00703 -0.00999 0.00157 -0.00062 101 2PX 0.01115 0.02235 0.01893 -0.00369 0.00094 102 2PY 0.00189 -0.00382 0.00287 0.00007 -0.00025 103 2PZ 0.00121 0.01032 -0.00721 -0.00053 -0.00026 104 3S -0.01695 -0.01115 -0.01682 0.00053 0.00010 105 3PX -0.00040 0.00820 0.00773 -0.00120 -0.00021 106 3PY -0.01069 -0.00503 -0.00600 -0.00009 -0.00016 107 3PZ 0.00266 0.00539 -0.00719 -0.00164 -0.00010 108 4XX 0.00474 0.00286 0.00364 0.00008 -0.00005 109 4YY -0.00209 -0.00033 -0.00131 -0.00006 0.00005 110 4ZZ -0.00276 -0.00257 -0.00178 -0.00011 0.00000 111 4XY 0.00007 0.00068 0.00051 -0.00012 0.00001 112 4XZ 0.00061 0.00055 0.00031 -0.00013 0.00004 113 4YZ -0.00028 0.00030 -0.00062 -0.00010 0.00003 114 12 H 1S -0.00988 -0.01592 -0.00562 0.00064 -0.00016 115 2S -0.00873 -0.01604 -0.00796 -0.00125 0.00008 116 13 H 1S 0.01504 0.01742 0.01523 -0.00108 0.00009 117 2S 0.03712 0.02692 0.03099 -0.00019 0.00024 118 14 C 1S 0.00658 0.00087 0.00573 -0.00012 0.00005 119 2S -0.01730 -0.00301 -0.00704 0.00019 0.00008 120 2PX 0.01932 -0.00355 0.00955 -0.00068 0.00046 121 2PY -0.00217 0.00163 -0.00872 0.00028 0.00026 122 2PZ -0.01183 -0.00358 -0.00538 -0.00014 0.00027 123 3S -0.04974 -0.01820 -0.03324 -0.00132 -0.00051 124 3PX 0.00345 -0.00168 0.00066 -0.00064 0.00060 125 3PY 0.00337 0.00512 -0.00081 0.00024 0.00012 126 3PZ -0.01093 -0.00281 -0.00580 -0.00021 -0.00002 127 4XX 0.00100 -0.00021 0.00097 -0.00006 0.00007 128 4YY -0.00067 -0.00047 -0.00066 0.00003 -0.00001 129 4ZZ 0.00017 0.00081 -0.00019 -0.00002 -0.00004 130 4XY -0.00054 0.00060 0.00011 -0.00007 0.00001 131 4XZ 0.00122 0.00003 0.00086 -0.00001 0.00003 132 4YZ 0.00033 0.00057 0.00004 0.00002 -0.00003 133 15 H 1S 0.00101 0.00437 0.00150 0.00022 -0.00038 134 2S 0.01119 0.01101 0.00609 0.00037 -0.00044 135 16 H 1S 0.00533 -0.00560 0.00481 -0.00021 0.00033 136 2S 0.02228 -0.00153 0.01616 0.00068 0.00028 137 17 H 1S 0.02269 0.03641 -0.06120 -0.00934 -0.00166 138 2S -0.00485 0.02193 -0.05495 -0.00724 -0.00147 139 18 H 1S -0.00642 0.02494 -0.00021 0.00263 0.00051 140 2S -0.00799 0.02647 -0.00149 0.00349 -0.00296 141 19 O 1S 0.00010 0.00839 -0.00190 0.00001 -0.00112 142 2S -0.00143 -0.01356 0.00722 0.00037 0.00166 143 2PX -0.06130 0.00425 -0.00346 -0.00316 0.00309 144 2PY -0.02257 0.07207 0.02407 -0.00010 0.00537 145 2PZ -0.06053 -0.04180 -0.03842 -0.00257 -0.00238 146 3S 0.00886 -0.03795 -0.00347 -0.00164 0.00285 147 3PX -0.05162 -0.00043 -0.01115 -0.00260 0.00146 148 3PY -0.00997 0.05021 0.01959 -0.00019 0.00403 149 3PZ -0.05506 -0.03130 -0.03403 -0.00153 -0.00135 150 4XX 0.00177 0.00133 0.00260 -0.00003 0.00007 151 4YY -0.00045 0.00374 0.00171 0.00023 0.00005 152 4ZZ -0.00144 0.00125 -0.00161 0.00020 -0.00008 153 4XY -0.00314 -0.00169 -0.00009 -0.00042 0.00039 154 4XZ 0.00114 -0.00043 -0.00069 0.00002 -0.00029 155 4YZ 0.00006 -0.00031 -0.00022 0.00011 -0.00036 156 20 O 1S -0.00476 -0.01020 0.00953 -0.00322 0.00182 157 2S 0.01373 0.02120 -0.02437 0.00839 -0.00409 158 2PX -0.03147 0.01151 0.03241 -0.00944 -0.00918 159 2PY -0.02145 0.04808 -0.00628 -0.01046 0.01653 160 2PZ 0.07252 -0.03328 -0.03092 -0.02940 0.00565 161 3S 0.02485 0.01206 -0.02986 0.00468 -0.00025 162 3PX -0.02167 -0.00067 0.00691 -0.00783 -0.00558 163 3PY -0.01953 0.02863 -0.00930 -0.00632 0.01096 164 3PZ 0.03126 -0.02423 -0.02964 -0.02040 0.00316 165 4XX 0.00493 0.00303 0.00340 -0.00032 -0.00004 166 4YY 0.00108 -0.00265 0.00113 0.00061 -0.00085 167 4ZZ -0.00568 0.00102 -0.00309 0.00039 0.00003 168 4XY 0.00179 0.00214 -0.00152 0.00057 0.00024 169 4XZ 0.00025 -0.00086 0.00111 0.00006 0.00022 170 4YZ -0.00470 -0.00169 -0.00029 0.00114 -0.00030 171 21 C 1S -0.00869 -0.00707 -0.00110 -0.00090 0.00096 172 2S 0.01919 0.01699 0.00906 0.00265 -0.00239 173 2PX 0.02153 0.00387 -0.00787 0.00613 -0.00374 174 2PY 0.02818 -0.02953 -0.02186 0.00294 -0.00283 175 2PZ -0.02187 0.00445 -0.00484 -0.00295 0.00195 176 3S 0.02303 0.02300 0.01583 0.00059 -0.00173 177 3PX -0.00700 -0.00175 -0.01562 0.00036 -0.00157 178 3PY 0.01051 0.00031 -0.00461 -0.00021 0.00093 179 3PZ -0.01224 -0.00257 -0.00742 -0.00345 0.00071 180 4XX -0.00316 -0.00097 0.00061 -0.00048 -0.00031 181 4YY 0.00456 -0.00140 -0.00241 0.00034 0.00017 182 4ZZ -0.00388 0.00126 0.00065 0.00021 0.00013 183 4XY 0.00386 -0.00347 -0.00208 0.00027 -0.00068 184 4XZ 0.00126 -0.00087 -0.00070 -0.00104 0.00015 185 4YZ 0.00306 0.00150 0.00113 -0.00104 0.00032 186 22 H 1S -0.01290 0.01181 0.00640 0.00094 0.00056 187 2S -0.01985 0.00734 0.00350 0.00366 0.00073 188 23 H 1S -0.00738 -0.00321 0.00178 -0.00398 -0.00002 189 2S -0.03243 -0.01792 -0.02142 -0.00782 0.00013 91 92 93 94 95 91 4ZZ 0.00177 92 4XY 0.00055 0.00157 93 4XZ -0.00049 0.00038 0.00159 94 4YZ 0.00000 -0.00056 -0.00008 0.00181 95 9 H 1S -0.00051 0.00130 0.00029 0.00132 0.21689 96 2S -0.00047 0.00010 -0.00036 0.00092 0.17480 97 10 H 1S -0.00015 0.00109 0.00042 0.00054 0.00167 98 2S -0.00073 0.00139 0.00109 0.00106 -0.00097 99 11 C 1S -0.00016 -0.00019 0.00002 -0.00076 0.01192 100 2S -0.00010 0.00037 -0.00007 0.00131 -0.02350 101 2PX 0.00063 -0.00065 -0.00012 -0.00182 0.02591 102 2PY -0.00044 -0.00021 -0.00013 -0.00009 -0.03151 103 2PZ 0.00031 0.00053 0.00085 -0.00048 -0.02255 104 3S 0.00097 0.00252 0.00241 0.00406 -0.07034 105 3PX 0.00054 -0.00016 -0.00067 -0.00018 0.02243 106 3PY 0.00021 -0.00030 -0.00049 0.00080 -0.00897 107 3PZ 0.00151 0.00096 -0.00008 -0.00020 -0.01991 108 4XX -0.00012 0.00002 0.00026 -0.00012 -0.00107 109 4YY 0.00008 0.00005 -0.00009 0.00007 0.00654 110 4ZZ 0.00012 -0.00006 -0.00026 0.00005 -0.00226 111 4XY 0.00004 -0.00003 -0.00001 -0.00007 -0.00353 112 4XZ 0.00001 -0.00005 -0.00010 -0.00011 0.00070 113 4YZ 0.00002 0.00003 -0.00002 -0.00001 0.00328 114 12 H 1S 0.00013 -0.00028 -0.00112 0.00061 -0.01313 115 2S 0.00120 -0.00041 -0.00224 -0.00075 -0.01111 116 13 H 1S -0.00012 -0.00011 0.00077 -0.00087 -0.00866 117 2S -0.00138 -0.00081 0.00156 -0.00221 -0.00561 118 14 C 1S -0.00043 -0.00017 0.00013 -0.00020 -0.00735 119 2S 0.00076 0.00072 -0.00013 0.00039 0.01455 120 2PX -0.00081 -0.00117 -0.00001 -0.00086 -0.00328 121 2PY 0.00015 -0.00033 -0.00030 0.00029 0.03619 122 2PZ 0.00080 -0.00008 0.00001 0.00017 0.00280 123 3S 0.00260 0.00093 -0.00191 0.00113 0.04866 124 3PX -0.00021 -0.00002 0.00029 -0.00053 0.00061 125 3PY -0.00006 -0.00104 -0.00101 -0.00020 0.03681 126 3PZ 0.00076 -0.00008 -0.00045 0.00033 0.00266 127 4XX -0.00007 -0.00035 -0.00009 -0.00034 -0.00016 128 4YY 0.00001 0.00013 0.00005 0.00013 -0.00012 129 4ZZ 0.00003 0.00023 0.00006 0.00018 -0.00079 130 4XY 0.00004 0.00004 0.00000 -0.00001 0.00162 131 4XZ -0.00007 -0.00002 0.00002 -0.00001 -0.00031 132 4YZ -0.00001 -0.00005 0.00000 -0.00007 -0.00123 133 15 H 1S -0.00001 0.00092 0.00021 0.00054 -0.00710 134 2S -0.00021 0.00096 0.00034 0.00087 -0.01348 135 16 H 1S -0.00032 -0.00128 -0.00034 -0.00108 -0.00553 136 2S -0.00144 -0.00305 -0.00062 -0.00220 -0.01238 137 17 H 1S 0.00675 0.00634 -0.00355 -0.01346 -0.00756 138 2S 0.00844 0.00604 -0.00266 -0.01024 -0.00284 139 18 H 1S 0.00229 -0.00243 -0.00114 0.00701 -0.00200 140 2S 0.00487 -0.00041 -0.00217 0.00665 -0.00474 141 19 O 1S -0.00027 -0.00006 -0.00024 0.00031 0.00034 142 2S 0.00067 -0.00010 0.00049 -0.00054 -0.00088 143 2PX 0.00288 0.00582 0.00024 -0.00542 -0.00065 144 2PY -0.00049 0.00300 0.00140 -0.00364 -0.00349 145 2PZ 0.00310 -0.00420 -0.00091 0.00347 0.00569 146 3S -0.00035 -0.00067 0.00291 -0.00097 -0.00296 147 3PX 0.00278 0.00413 0.00006 -0.00252 -0.00011 148 3PY -0.00066 0.00134 0.00124 -0.00270 -0.00390 149 3PZ 0.00229 -0.00166 -0.00035 0.00313 0.00487 150 4XX -0.00004 -0.00054 -0.00008 -0.00008 -0.00010 151 4YY -0.00002 0.00036 -0.00014 -0.00034 0.00003 152 4ZZ 0.00005 0.00011 0.00004 0.00041 0.00005 153 4XY -0.00016 0.00033 0.00011 -0.00019 0.00015 154 4XZ 0.00022 0.00000 -0.00009 -0.00008 -0.00001 155 4YZ 0.00031 -0.00040 -0.00015 0.00004 -0.00004 156 20 O 1S -0.00090 0.00469 0.00505 -0.00413 0.00125 157 2S 0.00235 -0.01079 -0.01161 0.00922 -0.00261 158 2PX 0.01398 -0.00448 -0.02005 0.01220 -0.00526 159 2PY -0.00638 -0.01262 0.01476 0.00927 -0.00239 160 2PZ 0.02477 0.01651 0.00340 -0.00084 -0.00185 161 3S 0.00267 -0.01469 -0.00972 0.01448 -0.00517 162 3PX 0.01124 0.00028 -0.01187 0.00699 -0.00311 163 3PY -0.00436 -0.00711 0.01042 0.00564 -0.00103 164 3PZ 0.01746 0.01091 0.00065 0.00083 0.00061 165 4XX 0.00019 -0.00022 -0.00006 -0.00013 -0.00048 166 4YY 0.00032 0.00094 -0.00074 -0.00074 0.00063 167 4ZZ -0.00048 -0.00014 0.00023 -0.00017 0.00015 168 4XY -0.00030 0.00006 0.00079 -0.00053 0.00034 169 4XZ -0.00002 0.00024 0.00065 -0.00001 0.00032 170 4YZ -0.00107 -0.00033 -0.00029 0.00010 0.00055 171 21 C 1S -0.00057 -0.00137 -0.00004 0.00181 0.00010 172 2S 0.00111 0.00301 -0.00068 -0.00437 -0.00066 173 2PX 0.00264 0.00532 -0.00384 -0.00547 0.00114 174 2PY 0.00156 0.00802 0.00057 -0.00723 0.00164 175 2PZ -0.00165 -0.00251 0.00166 0.00160 0.00106 176 3S 0.00098 0.00263 0.00112 -0.00502 -0.00023 177 3PX 0.00328 0.00344 -0.00084 -0.00130 0.00044 178 3PY -0.00015 0.00334 0.00257 -0.00314 -0.00108 179 3PZ 0.00177 -0.00021 -0.00038 0.00124 -0.00048 180 4XX 0.00078 0.00045 -0.00076 0.00012 -0.00008 181 4YY -0.00013 -0.00018 0.00039 -0.00003 0.00007 182 4ZZ -0.00067 -0.00033 0.00018 0.00020 0.00010 183 4XY 0.00053 0.00051 -0.00063 -0.00023 0.00008 184 4XZ 0.00079 0.00003 0.00020 0.00020 -0.00028 185 4YZ 0.00065 0.00033 0.00006 0.00012 -0.00034 186 22 H 1S -0.00334 -0.00174 0.00116 -0.00005 0.00047 187 2S -0.00572 -0.00256 0.00167 0.00088 0.00051 188 23 H 1S 0.00291 0.00086 -0.00022 0.00136 -0.00109 189 2S 0.00705 0.00259 -0.00116 0.00381 -0.00069 96 97 98 99 100 96 2S 0.16312 97 10 H 1S -0.00097 0.21689 98 2S -0.00327 0.17480 0.16312 99 11 C 1S 0.01495 -0.00735 -0.00920 2.05093 100 2S -0.02651 0.01455 0.01851 -0.05356 0.30675 101 2PX 0.05281 -0.00327 -0.01492 -0.00216 0.00247 102 2PY -0.05871 -0.03619 -0.05935 -0.00197 0.00049 103 2PZ -0.04427 0.00279 0.01379 0.00106 -0.00015 104 3S -0.07135 0.04866 0.05328 -0.18822 0.28345 105 3PX 0.03188 0.00062 -0.00389 0.00084 0.00408 106 3PY -0.01736 -0.03681 -0.04916 0.00045 0.00297 107 3PZ -0.02753 0.00266 0.00733 0.00065 -0.00479 108 4XX -0.00228 -0.00016 0.00001 -0.01716 -0.00165 109 4YY 0.00714 -0.00012 0.00025 -0.01550 -0.00526 110 4ZZ -0.00258 -0.00078 -0.00199 -0.01720 -0.00155 111 4XY -0.00143 -0.00162 -0.00254 -0.00095 0.00184 112 4XZ 0.00284 -0.00031 -0.00110 -0.00087 0.00221 113 4YZ 0.00149 0.00123 0.00178 0.00108 -0.00202 114 12 H 1S -0.00817 -0.00710 -0.01833 -0.05232 0.10153 115 2S -0.00323 -0.01348 -0.02633 -0.00563 0.02059 116 13 H 1S -0.00364 -0.00554 -0.01301 -0.05287 0.10266 117 2S -0.00187 -0.01239 -0.01781 -0.00681 0.02188 118 14 C 1S -0.00920 0.01192 0.01495 0.01005 -0.01959 119 2S 0.01851 -0.02350 -0.02651 -0.01959 0.03093 120 2PX -0.01493 0.02590 0.05280 0.00334 -0.00749 121 2PY 0.05934 0.03152 0.05873 -0.06220 0.12851 122 2PZ 0.01380 -0.02254 -0.04426 -0.00195 0.00418 123 3S 0.05329 -0.07034 -0.07135 0.00743 0.01043 124 3PX -0.00391 0.02243 0.03188 0.00123 -0.00547 125 3PY 0.04916 0.00898 0.01737 -0.01339 0.04076 126 3PZ 0.00734 -0.01991 -0.02752 -0.00141 0.00469 127 4XX 0.00001 -0.00107 -0.00228 0.00213 -0.00499 128 4YY 0.00026 0.00654 0.00714 -0.00691 0.01194 129 4ZZ -0.00199 -0.00226 -0.00258 0.00191 -0.00471 130 4XY 0.00254 0.00353 0.00143 -0.00027 0.00034 131 4XZ -0.00109 0.00070 0.00284 0.00003 -0.00021 132 4YZ -0.00178 -0.00328 -0.00149 0.00016 -0.00014 133 15 H 1S -0.01833 -0.01313 -0.00818 0.00750 -0.01927 134 2S -0.02634 -0.01112 -0.00323 0.00827 -0.01896 135 16 H 1S -0.01301 -0.00866 -0.00363 0.00849 -0.02092 136 2S -0.01781 -0.00561 -0.00187 0.01082 -0.02314 137 17 H 1S -0.00513 -0.00200 -0.00900 0.00421 -0.00921 138 2S 0.00157 -0.00474 -0.01453 0.00015 -0.00447 139 18 H 1S -0.00900 -0.00755 -0.00513 -0.00055 0.00176 140 2S -0.01453 -0.00284 0.00157 -0.00210 0.00548 141 19 O 1S 0.00124 0.00125 -0.00309 0.00015 0.00042 142 2S -0.00302 -0.00261 0.00678 -0.00021 -0.00070 143 2PX -0.00815 -0.00526 -0.00002 -0.00393 0.00729 144 2PY -0.00103 0.00239 -0.01304 -0.00083 -0.00074 145 2PZ -0.00002 -0.00184 0.00161 -0.00361 0.00760 146 3S -0.00582 -0.00516 0.01142 -0.00062 -0.00499 147 3PX -0.00565 -0.00310 0.00016 -0.00366 0.00589 148 3PY -0.00233 0.00103 -0.00824 -0.00033 -0.00159 149 3PZ -0.00050 0.00062 0.00427 -0.00369 0.00831 150 4XX 0.00025 -0.00048 -0.00078 0.00027 -0.00037 151 4YY -0.00002 0.00063 -0.00041 0.00008 0.00010 152 4ZZ -0.00007 0.00014 0.00015 -0.00004 0.00041 153 4XY 0.00003 -0.00034 -0.00006 -0.00015 0.00024 154 4XZ 0.00015 0.00031 -0.00008 0.00001 0.00003 155 4YZ -0.00035 -0.00055 -0.00024 0.00000 0.00006 156 20 O 1S -0.00309 0.00034 0.00124 0.00044 -0.00157 157 2S 0.00678 -0.00088 -0.00302 -0.00137 0.00300 158 2PX -0.00002 -0.00065 -0.00815 -0.00296 0.01008 159 2PY 0.01305 0.00349 0.00103 -0.00165 -0.00188 160 2PZ 0.00161 0.00569 -0.00003 0.00003 -0.00152 161 3S 0.01143 -0.00296 -0.00582 -0.00055 0.01055 162 3PX 0.00016 -0.00011 -0.00565 -0.00206 0.00959 163 3PY 0.00825 0.00390 0.00233 -0.00172 -0.00105 164 3PZ 0.00427 0.00487 -0.00050 -0.00059 -0.00081 165 4XX -0.00078 -0.00010 0.00025 0.00012 -0.00090 166 4YY -0.00041 0.00003 -0.00002 -0.00010 -0.00042 167 4ZZ 0.00015 0.00005 -0.00007 -0.00034 -0.00011 168 4XY 0.00006 -0.00015 -0.00003 0.00009 -0.00065 169 4XZ -0.00008 -0.00001 0.00015 -0.00013 -0.00010 170 4YZ 0.00024 0.00004 0.00035 -0.00005 0.00045 171 21 C 1S 0.00086 0.00010 0.00086 -0.00054 0.00085 172 2S -0.00313 -0.00067 -0.00313 0.00146 -0.00316 173 2PX -0.00343 0.00114 -0.00343 0.00150 -0.00258 174 2PY -0.00631 -0.00163 0.00631 0.00098 -0.00132 175 2PZ 0.00331 0.00106 0.00331 -0.00051 0.00143 176 3S -0.00303 -0.00023 -0.00302 0.00214 -0.00369 177 3PX -0.00209 0.00044 -0.00209 -0.00085 0.00243 178 3PY -0.00436 0.00108 0.00436 0.00014 -0.00061 179 3PZ 0.00068 -0.00048 0.00068 -0.00081 0.00134 180 4XX -0.00033 -0.00008 -0.00033 -0.00030 0.00069 181 4YY 0.00029 0.00007 0.00029 0.00022 -0.00059 182 4ZZ 0.00030 0.00010 0.00030 -0.00011 0.00020 183 4XY -0.00018 -0.00008 0.00018 0.00013 0.00007 184 4XZ -0.00021 -0.00028 -0.00021 -0.00006 0.00001 185 4YZ 0.00030 0.00034 -0.00030 0.00009 -0.00026 186 22 H 1S 0.00154 0.00047 0.00154 0.00011 0.00011 187 2S 0.00165 0.00051 0.00165 -0.00052 0.00168 188 23 H 1S -0.00100 -0.00109 -0.00100 -0.00114 0.00218 189 2S -0.00061 -0.00069 -0.00061 -0.00345 0.00717 101 102 103 104 105 101 2PX 0.39946 102 2PY 0.00273 0.38112 103 2PZ 0.00826 -0.00398 0.40015 104 3S -0.02739 -0.00450 0.02951 0.31662 105 3PX 0.18488 0.00135 -0.00023 -0.01343 0.08894 106 3PY 0.00883 0.17478 -0.00087 -0.00454 0.00399 107 3PZ -0.00273 -0.00166 0.17903 0.01442 -0.00470 108 4XX 0.01424 0.00838 0.01103 0.00061 0.00654 109 4YY -0.00118 -0.01525 0.00027 -0.00513 -0.00060 110 4ZZ -0.00941 0.01006 -0.01440 -0.00144 -0.00411 111 4XY 0.01373 0.00048 0.00100 0.00145 0.00648 112 4XZ 0.01148 0.00052 -0.00894 0.00055 0.00512 113 4YZ 0.00121 -0.00053 0.01458 -0.00172 0.00046 114 12 H 1S -0.05700 0.09046 -0.24608 0.07881 -0.02312 115 2S -0.05730 0.07747 -0.22659 -0.00345 -0.02449 116 13 H 1S 0.24468 0.08051 0.06953 0.08698 0.11387 117 2S 0.21796 0.06589 0.06411 0.00976 0.09997 118 14 C 1S 0.00332 0.06220 -0.00194 0.00743 0.00123 119 2S -0.00745 -0.12851 0.00416 0.01044 -0.00546 120 2PX 0.00232 0.00264 -0.00518 -0.00701 -0.00955 121 2PY -0.00256 -0.31517 -0.00037 0.12405 0.00032 122 2PZ -0.00518 0.00032 0.00448 0.00174 0.00000 123 3S -0.00697 -0.12405 0.00171 -0.02347 -0.00318 124 3PX -0.00955 -0.00028 0.00001 -0.00318 -0.00936 125 3PY 0.01500 -0.14739 -0.00995 0.02728 0.00758 126 3PZ 0.00256 0.00426 -0.00656 0.00286 0.00269 127 4XX -0.00014 0.00739 -0.00084 -0.00733 -0.00053 128 4YY 0.00050 -0.00832 -0.00006 0.01334 0.00060 129 4ZZ 0.00083 0.00779 -0.00005 -0.00345 0.00042 130 4XY 0.01106 -0.00012 0.00061 0.00012 0.00558 131 4XZ -0.00040 -0.00087 0.00033 0.00019 -0.00054 132 4YZ 0.00058 -0.00014 0.01102 -0.00030 0.00002 133 15 H 1S 0.00768 0.02963 0.02138 -0.02029 0.00205 134 2S 0.02006 0.05420 0.03578 -0.01040 0.00786 135 16 H 1S -0.02234 0.02680 -0.00813 -0.03329 -0.01771 136 2S -0.03250 0.05105 -0.01878 -0.03856 -0.02212 137 17 H 1S 0.01301 -0.00258 0.00493 -0.02192 0.00374 138 2S -0.00105 0.00322 -0.01332 -0.01601 -0.00226 139 18 H 1S -0.00018 0.00125 0.00333 0.00836 0.00247 140 2S -0.00032 0.00297 0.01127 0.02173 0.00375 141 19 O 1S -0.00037 0.00041 -0.00059 -0.00489 0.00123 142 2S 0.00066 -0.00025 0.00108 0.01225 -0.00373 143 2PX -0.00858 -0.00459 0.00520 0.03591 -0.00294 144 2PY -0.00008 -0.00242 0.00214 0.01185 -0.00707 145 2PZ -0.00808 -0.00167 0.00525 0.03075 0.00084 146 3S 0.00698 -0.00506 0.00339 0.01358 -0.00142 147 3PX -0.00780 -0.00547 0.00518 0.02874 -0.00212 148 3PY 0.00074 -0.00191 0.00125 0.00689 -0.00480 149 3PZ -0.00906 -0.00125 0.00448 0.03049 -0.00030 150 4XX 0.00026 0.00051 -0.00048 -0.00159 -0.00004 151 4YY -0.00004 0.00005 -0.00014 0.00021 -0.00025 152 4ZZ -0.00041 0.00037 0.00005 0.00074 0.00005 153 4XY -0.00029 -0.00001 0.00011 0.00152 -0.00009 154 4XZ 0.00002 0.00013 0.00009 -0.00053 0.00008 155 4YZ 0.00011 0.00004 0.00009 0.00006 0.00024 156 20 O 1S 0.00371 -0.00109 0.00111 -0.00155 0.00042 157 2S -0.00679 0.00234 -0.00124 -0.00300 0.00191 158 2PX -0.01532 0.00093 -0.00048 0.01344 0.00447 159 2PY -0.00018 0.00206 0.00205 0.03549 -0.01304 160 2PZ -0.00340 -0.00211 0.00841 0.03276 -0.00615 161 3S -0.02856 0.00687 -0.01185 0.01109 -0.01174 162 3PX -0.01531 -0.00032 -0.00167 0.01576 -0.00004 163 3PY 0.00127 0.00053 0.00237 0.02545 -0.00761 164 3PZ -0.00060 -0.00217 0.00829 0.02361 -0.00191 165 4XX 0.00191 -0.00015 0.00081 -0.00072 0.00083 166 4YY 0.00058 -0.00020 0.00036 -0.00274 0.00091 167 4ZZ 0.00008 0.00015 0.00070 -0.00033 0.00005 168 4XY 0.00087 -0.00031 0.00007 -0.00088 -0.00015 169 4XZ 0.00037 -0.00003 0.00006 0.00093 -0.00011 170 4YZ -0.00045 0.00006 -0.00042 -0.00078 0.00027 171 21 C 1S -0.00145 0.00079 0.00008 0.00408 -0.00122 172 2S 0.00494 -0.00162 -0.00042 -0.01164 0.00217 173 2PX 0.00379 -0.00213 0.00053 -0.01698 0.00153 174 2PY 0.00601 -0.00249 0.00262 -0.00750 0.00584 175 2PZ -0.00241 0.00040 -0.00197 0.00015 -0.00060 176 3S 0.00726 -0.00446 -0.00090 -0.01289 0.00265 177 3PX -0.00254 -0.00088 0.00502 0.00460 -0.00042 178 3PY 0.00593 -0.00186 0.00317 0.00563 0.00172 179 3PZ -0.00148 0.00002 0.00105 0.00581 0.00013 180 4XX -0.00092 -0.00011 0.00026 0.00219 0.00009 181 4YY 0.00083 0.00006 -0.00003 -0.00108 -0.00010 182 4ZZ -0.00015 0.00007 -0.00029 -0.00025 0.00010 183 4XY -0.00021 0.00007 -0.00022 -0.00194 0.00061 184 4XZ -0.00004 0.00004 0.00048 0.00198 -0.00010 185 4YZ -0.00002 0.00008 0.00009 0.00025 -0.00042 186 22 H 1S 0.00003 0.00019 -0.00255 -0.00593 0.00051 187 2S -0.00245 0.00261 -0.00161 -0.00471 -0.00073 188 23 H 1S -0.00313 -0.00017 0.00208 0.01395 -0.00034 189 2S -0.01062 0.00033 0.00672 0.03205 -0.00214 106 107 108 109 110 106 3PY 0.08740 107 3PZ -0.00054 0.08364 108 4XX 0.00340 0.00441 0.00161 109 4YY -0.00599 0.00025 -0.00038 0.00123 110 4ZZ 0.00421 -0.00604 -0.00066 -0.00029 0.00156 111 4XY 0.00089 0.00022 0.00053 -0.00020 -0.00031 112 4XZ 0.00077 -0.00403 0.00012 -0.00003 -0.00001 113 4YZ -0.00034 0.00671 0.00036 0.00016 -0.00052 114 12 H 1S 0.04112 -0.11025 -0.00782 -0.00511 0.01314 115 2S 0.03435 -0.09887 -0.00873 -0.00337 0.01364 116 13 H 1S 0.04156 0.02494 0.01312 -0.00578 -0.00705 117 2S 0.03171 0.02282 0.01314 -0.00444 -0.00742 118 14 C 1S 0.01339 -0.00141 0.00213 -0.00691 0.00191 119 2S -0.04076 0.00468 -0.00499 0.01194 -0.00471 120 2PX -0.01497 0.00256 -0.00014 0.00050 0.00084 121 2PY -0.14740 -0.00428 -0.00739 0.00832 -0.00779 122 2PZ 0.00992 -0.00656 -0.00084 -0.00005 -0.00006 123 3S -0.02728 0.00286 -0.00733 0.01334 -0.00345 124 3PX -0.00757 0.00269 -0.00053 0.00060 0.00042 125 3PY -0.06679 -0.00691 -0.00364 0.00464 -0.00364 126 3PZ 0.00690 -0.00628 -0.00072 -0.00028 0.00062 127 4XX 0.00364 -0.00072 0.00003 -0.00009 0.00031 128 4YY -0.00464 -0.00028 -0.00009 -0.00007 -0.00023 129 4ZZ 0.00364 0.00062 0.00031 -0.00023 0.00014 130 4XY 0.00026 -0.00008 0.00041 -0.00008 -0.00029 131 4XZ -0.00122 0.00054 0.00002 0.00008 -0.00004 132 4YZ 0.00018 0.00516 0.00030 0.00007 -0.00041 133 15 H 1S 0.01691 0.01669 0.00167 0.00190 -0.00097 134 2S 0.02234 0.02286 0.00396 -0.00144 -0.00102 135 16 H 1S 0.01206 -0.00087 -0.00159 0.00270 0.00160 136 2S 0.01847 -0.00801 -0.00110 -0.00044 0.00324 137 17 H 1S -0.00556 0.01039 -0.00003 0.00008 0.00030 138 2S 0.00098 0.00217 -0.00259 0.00051 0.00254 139 18 H 1S 0.00017 0.00378 0.00117 -0.00054 -0.00040 140 2S 0.00075 0.00921 0.00199 -0.00065 -0.00129 141 19 O 1S 0.00170 -0.00039 -0.00012 0.00003 0.00011 142 2S -0.00436 0.00091 0.00034 -0.00012 -0.00034 143 2PX -0.00522 0.00687 -0.00105 0.00047 0.00047 144 2PY -0.00814 0.00425 0.00003 -0.00019 -0.00049 145 2PZ 0.00401 0.00184 -0.00118 0.00025 0.00073 146 3S -0.00753 0.00147 0.00070 -0.00016 -0.00058 147 3PX -0.00357 0.00617 -0.00108 0.00051 0.00048 148 3PY -0.00664 0.00280 0.00013 -0.00027 -0.00030 149 3PZ 0.00307 0.00230 -0.00099 0.00025 0.00052 150 4XX 0.00025 -0.00035 0.00000 -0.00003 0.00005 151 4YY -0.00046 0.00005 0.00003 -0.00003 -0.00003 152 4ZZ 0.00043 0.00006 0.00003 0.00000 -0.00004 153 4XY -0.00002 0.00013 -0.00007 0.00004 0.00004 154 4XZ 0.00030 0.00008 -0.00001 0.00001 0.00001 155 4YZ 0.00008 -0.00010 0.00005 -0.00003 -0.00001 156 20 O 1S -0.00367 -0.00071 0.00051 -0.00008 -0.00048 157 2S 0.00817 0.00097 -0.00101 0.00029 0.00113 158 2PX 0.01166 0.01572 -0.00387 0.00161 0.00363 159 2PY 0.00111 0.00289 -0.00036 -0.00047 -0.00057 160 2PZ 0.00408 0.03342 -0.00241 0.00108 0.00235 161 3S 0.01352 -0.00007 -0.00312 0.00022 0.00269 162 3PX 0.00814 0.01214 -0.00320 0.00123 0.00273 163 3PY 0.00040 0.00169 -0.00004 -0.00027 -0.00060 164 3PZ 0.00476 0.02473 -0.00227 0.00116 0.00196 165 4XX -0.00053 0.00058 0.00032 -0.00008 -0.00019 166 4YY -0.00032 -0.00001 0.00003 0.00004 0.00003 167 4ZZ 0.00009 -0.00031 -0.00004 0.00002 -0.00001 168 4XY -0.00069 -0.00047 0.00017 -0.00006 -0.00016 169 4XZ -0.00013 -0.00010 0.00010 -0.00002 -0.00010 170 4YZ 0.00010 -0.00133 0.00000 0.00001 -0.00003 171 21 C 1S 0.00091 0.00031 -0.00031 0.00000 0.00011 172 2S -0.00357 -0.00058 0.00073 -0.00023 -0.00036 173 2PX -0.00550 -0.00192 0.00097 -0.00021 -0.00065 174 2PY -0.00294 0.00001 0.00137 -0.00013 -0.00087 175 2PZ 0.00067 -0.00484 -0.00043 0.00010 0.00016 176 3S -0.00542 -0.00071 0.00106 -0.00024 -0.00076 177 3PX 0.00044 0.00326 0.00011 0.00020 -0.00032 178 3PY -0.00378 0.00148 0.00128 -0.00032 -0.00110 179 3PZ 0.00114 0.00192 -0.00064 0.00019 0.00051 180 4XX 0.00032 0.00111 -0.00020 0.00009 0.00017 181 4YY -0.00016 -0.00035 0.00015 -0.00006 -0.00011 182 4ZZ 0.00011 -0.00077 -0.00003 0.00001 -0.00001 183 4XY 0.00048 0.00010 -0.00004 0.00004 0.00009 184 4XZ 0.00035 0.00125 -0.00006 0.00001 0.00008 185 4YZ 0.00011 0.00107 -0.00010 0.00003 0.00009 186 22 H 1S -0.00053 -0.00587 0.00010 -0.00005 -0.00019 187 2S 0.00162 -0.00809 0.00038 -0.00008 -0.00058 188 23 H 1S 0.00267 0.00684 -0.00083 0.00030 0.00070 189 2S 0.00669 0.01308 -0.00196 0.00080 0.00139 111 112 113 114 115 111 4XY 0.00089 112 4XZ 0.00040 0.00065 113 4YZ -0.00001 -0.00032 0.00095 114 12 H 1S -0.00170 0.00471 -0.01047 0.21677 115 2S -0.00232 0.00364 -0.00946 0.17930 0.17241 116 13 H 1S 0.00990 0.00626 0.00220 -0.02461 -0.05553 117 2S 0.00889 0.00503 0.00252 -0.05111 -0.06291 118 14 C 1S 0.00028 0.00003 -0.00016 0.00750 0.00827 119 2S -0.00034 -0.00021 0.00014 -0.01927 -0.01896 120 2PX -0.01106 -0.00040 -0.00058 0.00769 0.02008 121 2PY -0.00012 0.00087 -0.00013 -0.02963 -0.05420 122 2PZ -0.00061 0.00033 -0.01102 0.02138 0.03577 123 3S -0.00013 0.00019 0.00030 -0.02029 -0.01039 124 3PX -0.00558 -0.00055 -0.00002 0.00206 0.00787 125 3PY 0.00025 0.00122 0.00018 -0.01691 -0.02235 126 3PZ 0.00008 0.00054 -0.00516 0.01669 0.02286 127 4XX -0.00041 0.00002 -0.00030 0.00168 0.00396 128 4YY 0.00008 0.00008 -0.00007 0.00191 -0.00144 129 4ZZ 0.00029 -0.00004 0.00041 -0.00098 -0.00103 130 4XY 0.00073 0.00033 0.00011 -0.00208 -0.00259 131 4XZ -0.00033 -0.00005 0.00025 -0.00076 -0.00070 132 4YZ 0.00011 -0.00025 0.00079 -0.00760 -0.00746 133 15 H 1S 0.00208 -0.00076 0.00760 -0.02802 -0.03301 134 2S 0.00259 -0.00070 0.00746 -0.03300 -0.03951 135 16 H 1S -0.00756 -0.00077 -0.00233 0.01642 0.03289 136 2S -0.00705 -0.00066 -0.00265 0.02854 0.04384 137 17 H 1S 0.00049 0.00093 0.00025 -0.00266 0.01259 138 2S -0.00004 0.00077 -0.00041 0.01601 0.03128 139 18 H 1S -0.00033 -0.00018 -0.00017 -0.00222 -0.00346 140 2S 0.00003 -0.00048 0.00043 -0.00824 -0.01426 141 19 O 1S -0.00017 0.00006 -0.00003 0.00093 0.00141 142 2S 0.00034 -0.00013 -0.00002 -0.00183 -0.00309 143 2PX 0.00025 -0.00064 0.00013 0.00018 -0.00321 144 2PY 0.00005 -0.00020 -0.00009 -0.00170 -0.00048 145 2PZ -0.00016 -0.00038 0.00034 0.00091 -0.00475 146 3S 0.00126 -0.00016 0.00041 -0.00731 -0.00846 147 3PX 0.00023 -0.00058 0.00025 -0.00047 -0.00270 148 3PY 0.00013 -0.00013 -0.00005 -0.00153 -0.00017 149 3PZ -0.00030 -0.00046 0.00017 0.00141 -0.00447 150 4XX -0.00004 0.00004 -0.00003 0.00042 0.00082 151 4YY -0.00002 0.00001 -0.00003 0.00010 0.00013 152 4ZZ -0.00003 -0.00002 -0.00004 0.00013 -0.00029 153 4XY 0.00002 -0.00002 0.00001 0.00007 -0.00013 154 4XZ -0.00001 0.00001 0.00001 0.00006 0.00020 155 4YZ -0.00001 0.00001 -0.00001 -0.00006 -0.00020 156 20 O 1S 0.00014 0.00004 -0.00009 -0.00258 -0.00236 157 2S -0.00024 0.00001 0.00023 0.00478 0.00442 158 2PX -0.00018 -0.00019 0.00050 0.01275 0.02355 159 2PY 0.00002 -0.00045 0.00027 -0.00189 -0.00793 160 2PZ 0.00008 -0.00013 0.00117 0.00315 0.02459 161 3S -0.00112 -0.00009 0.00005 0.01925 0.01853 162 3PX -0.00027 -0.00015 0.00031 0.01151 0.01923 163 3PY 0.00008 -0.00037 0.00016 -0.00251 -0.00761 164 3PZ 0.00018 -0.00011 0.00101 0.00138 0.01707 165 4XX 0.00006 0.00002 0.00002 -0.00134 -0.00120 166 4YY 0.00001 0.00002 0.00002 -0.00040 0.00027 167 4ZZ 0.00001 -0.00003 0.00001 -0.00038 -0.00064 168 4XY 0.00001 0.00001 -0.00002 -0.00065 -0.00086 169 4XZ 0.00001 -0.00002 -0.00002 -0.00033 -0.00069 170 4YZ -0.00002 0.00000 -0.00003 0.00017 -0.00077 171 21 C 1S 0.00001 -0.00012 0.00000 0.00065 0.00001 172 2S 0.00000 0.00023 -0.00009 -0.00191 0.00066 173 2PX 0.00000 0.00023 -0.00020 -0.00270 -0.00041 174 2PY 0.00032 0.00014 0.00001 -0.00507 -0.00585 175 2PZ -0.00004 -0.00011 -0.00009 0.00138 -0.00251 176 3S -0.00002 0.00033 -0.00014 -0.00318 -0.00051 177 3PX -0.00003 -0.00014 -0.00003 -0.00186 -0.00212 178 3PY 0.00037 0.00001 0.00000 -0.00537 -0.00796 179 3PZ 0.00001 -0.00010 0.00010 0.00103 0.00150 180 4XX 0.00000 -0.00003 0.00004 0.00052 0.00096 181 4YY 0.00001 0.00003 -0.00001 -0.00043 -0.00048 182 4ZZ -0.00001 -0.00002 -0.00002 0.00012 -0.00048 183 4XY -0.00002 0.00003 0.00001 0.00038 0.00090 184 4XZ 0.00001 -0.00001 0.00004 0.00003 0.00060 185 4YZ 0.00000 0.00001 0.00003 0.00021 0.00118 186 22 H 1S -0.00003 0.00000 -0.00018 0.00038 -0.00304 187 2S -0.00004 -0.00012 -0.00031 0.00003 -0.00685 188 23 H 1S 0.00000 -0.00015 0.00026 0.00165 0.00413 189 2S -0.00004 -0.00051 0.00047 0.00327 0.00566 116 117 118 119 120 116 13 H 1S 0.21519 117 2S 0.17214 0.15964 118 14 C 1S 0.00849 0.01082 2.05093 119 2S -0.02092 -0.02314 -0.05356 0.30675 120 2PX -0.02233 -0.03249 -0.00216 0.00247 0.39946 121 2PY -0.02680 -0.05106 0.00197 -0.00049 -0.00273 122 2PZ -0.00813 -0.01879 0.00106 -0.00015 0.00826 123 3S -0.03329 -0.03855 -0.18821 0.28344 -0.02739 124 3PX -0.01771 -0.02211 0.00084 0.00408 0.18488 125 3PY -0.01206 -0.01847 -0.00045 -0.00297 -0.00883 126 3PZ -0.00087 -0.00802 0.00065 -0.00479 -0.00274 127 4XX -0.00159 -0.00111 -0.01716 -0.00165 0.01424 128 4YY 0.00270 -0.00043 -0.01550 -0.00526 -0.00119 129 4ZZ 0.00160 0.00324 -0.01720 -0.00155 -0.00941 130 4XY 0.00756 0.00705 0.00095 -0.00184 -0.01373 131 4XZ -0.00077 -0.00066 -0.00087 0.00221 0.01148 132 4YZ 0.00233 0.00265 -0.00108 0.00202 -0.00120 133 15 H 1S 0.01642 0.02854 -0.05232 0.10153 -0.05696 134 2S 0.03288 0.04383 -0.00563 0.02059 -0.05726 135 16 H 1S -0.03097 -0.03287 -0.05287 0.10266 0.24470 136 2S -0.03287 -0.03048 -0.00681 0.02188 0.21797 137 17 H 1S 0.00330 0.00436 -0.00055 0.00176 -0.00018 138 2S -0.00996 -0.01571 -0.00210 0.00548 -0.00031 139 18 H 1S 0.00274 0.00043 0.00421 -0.00920 0.01301 140 2S 0.00830 0.00474 0.00015 -0.00447 -0.00105 141 19 O 1S -0.00084 -0.00168 0.00044 -0.00157 0.00371 142 2S 0.00221 0.00459 -0.00137 0.00300 -0.00679 143 2PX -0.00346 -0.01451 -0.00296 0.01007 -0.01532 144 2PY 0.00090 0.00448 0.00165 0.00188 0.00018 145 2PZ -0.00468 -0.02098 0.00003 -0.00152 -0.00341 146 3S 0.00626 0.01140 -0.00054 0.01055 -0.02854 147 3PX -0.00397 -0.01389 -0.00206 0.00958 -0.01531 148 3PY 0.00110 0.00491 0.00172 0.00105 -0.00127 149 3PZ -0.00449 -0.01877 -0.00059 -0.00081 -0.00060 150 4XX -0.00013 0.00012 0.00012 -0.00090 0.00191 151 4YY 0.00009 0.00034 -0.00010 -0.00042 0.00058 152 4ZZ 0.00004 -0.00022 -0.00034 -0.00011 0.00008 153 4XY -0.00016 -0.00071 -0.00009 0.00065 -0.00087 154 4XZ -0.00004 -0.00016 -0.00013 -0.00010 0.00037 155 4YZ 0.00015 -0.00001 0.00005 -0.00045 0.00045 156 20 O 1S 0.00282 0.00487 0.00015 0.00042 -0.00037 157 2S -0.00546 -0.01002 -0.00020 -0.00070 0.00066 158 2PX -0.01672 -0.04162 -0.00393 0.00729 -0.00858 159 2PY 0.00082 0.00280 0.00083 0.00074 0.00008 160 2PZ -0.00972 -0.02837 -0.00361 0.00759 -0.00807 161 3S -0.02005 -0.02791 -0.00062 -0.00499 0.00697 162 3PX -0.01460 -0.03392 -0.00366 0.00588 -0.00780 163 3PY 0.00186 0.00266 0.00033 0.00159 -0.00074 164 3PZ -0.00718 -0.02417 -0.00369 0.00831 -0.00906 165 4XX 0.00151 0.00237 0.00027 -0.00037 0.00026 166 4YY 0.00015 0.00023 0.00008 0.00010 -0.00004 167 4ZZ 0.00007 -0.00001 -0.00004 0.00041 -0.00041 168 4XY 0.00072 0.00189 0.00015 -0.00024 0.00029 169 4XZ 0.00045 0.00068 0.00001 0.00003 0.00002 170 4YZ -0.00006 0.00009 0.00000 -0.00006 -0.00011 171 21 C 1S -0.00085 -0.00217 -0.00054 0.00085 -0.00145 172 2S 0.00272 0.00712 0.00146 -0.00316 0.00494 173 2PX 0.00323 0.00980 0.00150 -0.00258 0.00379 174 2PY 0.00622 0.00907 -0.00098 0.00132 -0.00601 175 2PZ -0.00156 -0.00118 -0.00051 0.00143 -0.00241 176 3S 0.00387 0.00946 0.00214 -0.00368 0.00725 177 3PX -0.00003 -0.00267 -0.00085 0.00243 -0.00254 178 3PY 0.00695 0.01008 -0.00014 0.00061 -0.00593 179 3PZ -0.00187 -0.00586 -0.00081 0.00134 -0.00148 180 4XX -0.00081 -0.00244 -0.00030 0.00069 -0.00092 181 4YY 0.00063 0.00159 0.00022 -0.00059 0.00083 182 4ZZ -0.00004 0.00007 -0.00011 0.00020 -0.00015 183 4XY -0.00036 -0.00069 -0.00013 -0.00007 0.00021 184 4XZ -0.00022 -0.00119 -0.00006 0.00001 -0.00004 185 4YZ -0.00038 -0.00057 -0.00009 0.00026 0.00002 186 22 H 1S 0.00041 0.00365 0.00011 0.00011 0.00003 187 2S 0.00113 0.00549 -0.00052 0.00168 -0.00245 188 23 H 1S -0.00321 -0.01108 -0.00114 0.00218 -0.00313 189 2S -0.00781 -0.02543 -0.00344 0.00717 -0.01062 121 122 123 124 125 121 2PY 0.38112 122 2PZ 0.00398 0.40015 123 3S 0.00448 0.02951 0.31660 124 3PX -0.00135 -0.00023 -0.01343 0.08895 125 3PY 0.17478 0.00087 0.00454 -0.00399 0.08740 126 3PZ 0.00166 0.17903 0.01442 -0.00470 0.00054 127 4XX -0.00838 0.01103 0.00061 0.00655 -0.00340 128 4YY 0.01525 0.00028 -0.00513 -0.00060 0.00600 129 4ZZ -0.01006 -0.01441 -0.00144 -0.00411 -0.00421 130 4XY 0.00047 -0.00100 -0.00145 -0.00648 0.00089 131 4XZ -0.00052 -0.00893 0.00055 0.00512 -0.00077 132 4YZ -0.00053 -0.01458 0.00172 -0.00046 -0.00034 133 15 H 1S -0.09043 -0.24610 0.07881 -0.02310 -0.04111 134 2S -0.07745 -0.22661 -0.00345 -0.02448 -0.03434 135 16 H 1S -0.08045 0.06953 0.08698 0.11388 -0.04154 136 2S -0.06585 0.06412 0.00977 0.09998 -0.03169 137 17 H 1S -0.00125 0.00333 0.00835 0.00247 -0.00017 138 2S -0.00298 0.01128 0.02173 0.00375 -0.00075 139 18 H 1S 0.00258 0.00493 -0.02192 0.00374 0.00555 140 2S -0.00321 -0.01333 -0.01601 -0.00226 -0.00098 141 19 O 1S 0.00109 0.00111 -0.00155 0.00042 0.00367 142 2S -0.00234 -0.00124 -0.00300 0.00192 -0.00816 143 2PX -0.00093 -0.00048 0.01343 0.00447 -0.01166 144 2PY 0.00206 -0.00205 -0.03549 0.01304 0.00111 145 2PZ 0.00211 0.00840 0.03274 -0.00615 -0.00409 146 3S -0.00687 -0.01185 0.01108 -0.01173 -0.01352 147 3PX 0.00032 -0.00167 0.01575 -0.00004 -0.00815 148 3PY 0.00053 -0.00237 -0.02545 0.00761 0.00040 149 3PZ 0.00217 0.00828 0.02359 -0.00190 -0.00476 150 4XX 0.00015 0.00081 -0.00072 0.00083 0.00053 151 4YY 0.00020 0.00036 -0.00274 0.00091 0.00032 152 4ZZ -0.00015 0.00070 -0.00033 0.00005 -0.00009 153 4XY -0.00031 -0.00007 0.00088 0.00015 -0.00069 154 4XZ 0.00003 0.00006 0.00093 -0.00011 0.00013 155 4YZ 0.00006 0.00042 0.00078 -0.00027 0.00010 156 20 O 1S -0.00041 -0.00059 -0.00489 0.00124 -0.00170 157 2S 0.00025 0.00108 0.01225 -0.00373 0.00436 158 2PX 0.00458 0.00520 0.03590 -0.00295 0.00522 159 2PY -0.00242 -0.00214 -0.01186 0.00707 -0.00814 160 2PZ 0.00167 0.00525 0.03073 0.00085 -0.00402 161 3S 0.00506 0.00339 0.01358 -0.00142 0.00753 162 3PX 0.00547 0.00518 0.02873 -0.00212 0.00357 163 3PY -0.00191 -0.00125 -0.00690 0.00480 -0.00664 164 3PZ 0.00125 0.00447 0.03047 -0.00030 -0.00307 165 4XX -0.00051 -0.00048 -0.00159 -0.00004 -0.00025 166 4YY -0.00005 -0.00014 0.00021 -0.00025 0.00046 167 4ZZ -0.00037 0.00005 0.00074 0.00005 -0.00043 168 4XY -0.00001 -0.00011 -0.00152 0.00009 -0.00002 169 4XZ -0.00013 0.00009 -0.00053 0.00008 -0.00030 170 4YZ 0.00004 -0.00009 -0.00006 -0.00024 0.00008 171 21 C 1S -0.00079 0.00008 0.00408 -0.00122 -0.00091 172 2S 0.00162 -0.00042 -0.01164 0.00217 0.00357 173 2PX 0.00213 0.00053 -0.01697 0.00153 0.00550 174 2PY -0.00249 -0.00262 0.00749 -0.00583 -0.00294 175 2PZ -0.00040 -0.00197 0.00015 -0.00061 -0.00067 176 3S 0.00447 -0.00090 -0.01288 0.00264 0.00542 177 3PX 0.00088 0.00502 0.00459 -0.00042 -0.00044 178 3PY -0.00186 -0.00317 -0.00563 -0.00172 -0.00378 179 3PZ -0.00003 0.00104 0.00580 0.00013 -0.00114 180 4XX 0.00011 0.00026 0.00219 0.00009 -0.00032 181 4YY -0.00006 -0.00003 -0.00108 -0.00010 0.00016 182 4ZZ -0.00007 -0.00029 -0.00025 0.00010 -0.00011 183 4XY 0.00007 0.00022 0.00194 -0.00061 0.00048 184 4XZ -0.00004 0.00048 0.00198 -0.00010 -0.00035 185 4YZ 0.00008 -0.00009 -0.00025 0.00042 0.00011 186 22 H 1S -0.00019 -0.00255 -0.00593 0.00051 0.00054 187 2S -0.00261 -0.00161 -0.00470 -0.00073 -0.00161 188 23 H 1S 0.00017 0.00208 0.01395 -0.00034 -0.00268 189 2S -0.00033 0.00671 0.03204 -0.00213 -0.00669 126 127 128 129 130 126 3PZ 0.08364 127 4XX 0.00441 0.00161 128 4YY 0.00026 -0.00038 0.00123 129 4ZZ -0.00604 -0.00066 -0.00029 0.00156 130 4XY -0.00022 -0.00053 0.00020 0.00031 0.00089 131 4XZ -0.00403 0.00012 -0.00003 -0.00001 -0.00040 132 4YZ -0.00671 -0.00036 -0.00016 0.00052 -0.00001 133 15 H 1S -0.11026 -0.00783 -0.00511 0.01314 0.00169 134 2S -0.09887 -0.00873 -0.00338 0.01364 0.00232 135 16 H 1S 0.02494 0.01313 -0.00579 -0.00705 -0.00990 136 2S 0.02282 0.01314 -0.00444 -0.00742 -0.00888 137 17 H 1S 0.00378 0.00117 -0.00054 -0.00040 0.00033 138 2S 0.00922 0.00199 -0.00065 -0.00129 -0.00003 139 18 H 1S 0.01038 -0.00003 0.00008 0.00030 -0.00049 140 2S 0.00217 -0.00259 0.00051 0.00254 0.00004 141 19 O 1S -0.00071 0.00051 -0.00008 -0.00048 -0.00014 142 2S 0.00097 -0.00101 0.00029 0.00113 0.00024 143 2PX 0.01571 -0.00386 0.00161 0.00363 0.00018 144 2PY -0.00289 0.00036 0.00047 0.00057 0.00002 145 2PZ 0.03340 -0.00241 0.00108 0.00235 -0.00008 146 3S -0.00007 -0.00312 0.00022 0.00269 0.00112 147 3PX 0.01213 -0.00320 0.00123 0.00273 0.00027 148 3PY -0.00169 0.00004 0.00027 0.00060 0.00008 149 3PZ 0.02471 -0.00227 0.00116 0.00196 -0.00018 150 4XX 0.00058 0.00032 -0.00008 -0.00019 -0.00006 151 4YY -0.00001 0.00003 0.00004 0.00003 -0.00001 152 4ZZ -0.00031 -0.00004 0.00002 -0.00001 -0.00001 153 4XY 0.00047 -0.00017 0.00006 0.00016 0.00001 154 4XZ -0.00010 0.00010 -0.00002 -0.00010 -0.00001 155 4YZ 0.00133 0.00000 -0.00001 0.00003 -0.00002 156 20 O 1S -0.00039 -0.00013 0.00003 0.00011 0.00017 157 2S 0.00091 0.00034 -0.00012 -0.00034 -0.00034 158 2PX 0.00687 -0.00105 0.00047 0.00047 -0.00025 159 2PY -0.00425 -0.00003 0.00019 0.00049 0.00005 160 2PZ 0.00183 -0.00118 0.00025 0.00073 0.00016 161 3S 0.00147 0.00070 -0.00016 -0.00058 -0.00126 162 3PX 0.00617 -0.00108 0.00051 0.00048 -0.00023 163 3PY -0.00281 -0.00013 0.00027 0.00030 0.00013 164 3PZ 0.00229 -0.00099 0.00025 0.00052 0.00030 165 4XX -0.00035 0.00000 -0.00003 0.00005 0.00004 166 4YY 0.00005 0.00003 -0.00003 -0.00003 0.00002 167 4ZZ 0.00006 0.00003 0.00000 -0.00004 0.00003 168 4XY -0.00013 0.00007 -0.00004 -0.00004 0.00002 169 4XZ 0.00008 -0.00001 0.00001 0.00001 0.00001 170 4YZ 0.00010 -0.00005 0.00003 0.00001 -0.00001 171 21 C 1S 0.00031 -0.00031 0.00000 0.00011 -0.00001 172 2S -0.00058 0.00073 -0.00023 -0.00036 0.00000 173 2PX -0.00191 0.00097 -0.00021 -0.00065 0.00000 174 2PY -0.00001 -0.00137 0.00013 0.00087 0.00032 175 2PZ -0.00483 -0.00043 0.00010 0.00016 0.00004 176 3S -0.00071 0.00106 -0.00024 -0.00076 0.00002 177 3PX 0.00325 0.00011 0.00020 -0.00032 0.00003 178 3PY -0.00148 -0.00128 0.00032 0.00110 0.00037 179 3PZ 0.00192 -0.00064 0.00019 0.00051 -0.00001 180 4XX 0.00111 -0.00020 0.00009 0.00017 0.00000 181 4YY -0.00035 0.00015 -0.00006 -0.00011 -0.00001 182 4ZZ -0.00077 -0.00003 0.00001 -0.00001 0.00001 183 4XY -0.00010 0.00004 -0.00004 -0.00009 -0.00002 184 4XZ 0.00125 -0.00006 0.00001 0.00008 -0.00001 185 4YZ -0.00107 0.00010 -0.00003 -0.00009 0.00000 186 22 H 1S -0.00587 0.00010 -0.00005 -0.00019 0.00003 187 2S -0.00808 0.00038 -0.00008 -0.00058 0.00004 188 23 H 1S 0.00684 -0.00083 0.00030 0.00070 0.00000 189 2S 0.01307 -0.00196 0.00080 0.00139 0.00004 131 132 133 134 135 131 4XZ 0.00065 132 4YZ 0.00032 0.00095 133 15 H 1S 0.00470 0.01046 0.21677 134 2S 0.00364 0.00945 0.17930 0.17240 135 16 H 1S 0.00626 -0.00220 -0.02461 -0.05553 0.21519 136 2S 0.00503 -0.00252 -0.05111 -0.06291 0.17214 137 17 H 1S -0.00018 0.00017 -0.00222 -0.00346 0.00274 138 2S -0.00048 -0.00043 -0.00825 -0.01426 0.00831 139 18 H 1S 0.00093 -0.00025 -0.00266 0.01259 0.00330 140 2S 0.00077 0.00041 0.01600 0.03127 -0.00996 141 19 O 1S 0.00004 0.00009 -0.00258 -0.00236 0.00282 142 2S 0.00001 -0.00023 0.00478 0.00441 -0.00546 143 2PX -0.00019 -0.00050 0.01275 0.02354 -0.01672 144 2PY 0.00045 0.00027 0.00189 0.00792 -0.00082 145 2PZ -0.00013 -0.00117 0.00315 0.02458 -0.00972 146 3S -0.00009 -0.00005 0.01924 0.01852 -0.02004 147 3PX -0.00015 -0.00031 0.01150 0.01922 -0.01460 148 3PY 0.00037 0.00016 0.00251 0.00760 -0.00185 149 3PZ -0.00011 -0.00101 0.00139 0.01707 -0.00719 150 4XX 0.00002 -0.00002 -0.00134 -0.00120 0.00151 151 4YY 0.00002 -0.00002 -0.00040 0.00027 0.00015 152 4ZZ -0.00003 -0.00001 -0.00038 -0.00064 0.00007 153 4XY -0.00001 -0.00002 0.00065 0.00086 -0.00072 154 4XZ -0.00002 0.00002 -0.00033 -0.00069 0.00045 155 4YZ 0.00000 -0.00003 -0.00017 0.00077 0.00006 156 20 O 1S 0.00006 0.00003 0.00093 0.00141 -0.00084 157 2S -0.00013 0.00002 -0.00183 -0.00309 0.00221 158 2PX -0.00064 -0.00013 0.00017 -0.00321 -0.00346 159 2PY 0.00020 -0.00009 0.00170 0.00048 -0.00090 160 2PZ -0.00038 -0.00034 0.00091 -0.00475 -0.00468 161 3S -0.00016 -0.00041 -0.00731 -0.00846 0.00626 162 3PX -0.00058 -0.00025 -0.00048 -0.00270 -0.00396 163 3PY 0.00013 -0.00005 0.00153 0.00017 -0.00110 164 3PZ -0.00046 -0.00017 0.00141 -0.00447 -0.00449 165 4XX 0.00004 0.00003 0.00042 0.00082 -0.00013 166 4YY 0.00001 0.00003 0.00010 0.00013 0.00009 167 4ZZ -0.00002 0.00004 0.00013 -0.00029 0.00004 168 4XY 0.00002 0.00001 -0.00007 0.00013 0.00016 169 4XZ 0.00001 -0.00001 0.00006 0.00020 -0.00004 170 4YZ -0.00001 -0.00001 0.00006 0.00020 -0.00015 171 21 C 1S -0.00012 0.00000 0.00065 0.00001 -0.00085 172 2S 0.00023 0.00009 -0.00191 0.00066 0.00272 173 2PX 0.00023 0.00020 -0.00270 -0.00041 0.00322 174 2PY -0.00014 0.00001 0.00507 0.00585 -0.00622 175 2PZ -0.00011 0.00009 0.00138 -0.00251 -0.00156 176 3S 0.00033 0.00014 -0.00318 -0.00051 0.00386 177 3PX -0.00014 0.00003 -0.00186 -0.00212 -0.00003 178 3PY -0.00001 0.00000 0.00537 0.00796 -0.00695 179 3PZ -0.00010 -0.00010 0.00104 0.00150 -0.00187 180 4XX -0.00003 -0.00004 0.00052 0.00096 -0.00081 181 4YY 0.00003 0.00001 -0.00043 -0.00048 0.00063 182 4ZZ -0.00002 0.00002 0.00012 -0.00048 -0.00004 183 4XY -0.00003 0.00001 -0.00038 -0.00090 0.00036 184 4XZ -0.00001 -0.00004 0.00003 0.00060 -0.00022 185 4YZ -0.00001 0.00003 -0.00021 -0.00118 0.00038 186 22 H 1S 0.00000 0.00018 0.00038 -0.00304 0.00041 187 2S -0.00012 0.00031 0.00003 -0.00685 0.00113 188 23 H 1S -0.00015 -0.00026 0.00165 0.00413 -0.00321 189 2S -0.00051 -0.00047 0.00327 0.00566 -0.00781 136 137 138 139 140 136 2S 0.15964 137 17 H 1S 0.00043 0.21513 138 2S 0.00475 0.15898 0.14253 139 18 H 1S 0.00435 -0.00991 -0.00501 0.21512 140 2S -0.01571 -0.00501 -0.00014 0.15897 0.14252 141 19 O 1S 0.00487 -0.00279 -0.00197 0.01282 0.01379 142 2S -0.01002 0.00880 0.00720 -0.02690 -0.02820 143 2PX -0.04161 0.02792 0.05717 -0.01029 -0.00389 144 2PY -0.00279 0.02038 0.04583 0.02050 0.02782 145 2PZ -0.02837 -0.00863 0.00701 0.05198 0.09370 146 3S -0.02790 0.01003 -0.00120 -0.06287 -0.05496 147 3PX -0.03392 0.02086 0.04128 0.00199 0.01334 148 3PY -0.00265 0.01409 0.02974 0.01344 0.01586 149 3PZ -0.02417 -0.00676 0.00662 0.04014 0.06766 150 4XX 0.00237 -0.00019 0.00011 0.00263 0.00065 151 4YY 0.00023 0.00068 0.00223 0.00078 0.00208 152 4ZZ -0.00001 -0.00004 -0.00076 0.00410 0.00237 153 4XY -0.00189 -0.00091 0.00028 -0.00297 -0.00282 154 4XZ 0.00068 0.00087 0.00097 -0.00342 -0.00108 155 4YZ -0.00009 0.00058 0.00074 0.00327 0.00477 156 20 O 1S -0.00168 0.01282 0.01379 -0.00279 -0.00197 157 2S 0.00460 -0.02690 -0.02820 0.00879 0.00720 158 2PX -0.01450 -0.01029 -0.00388 0.02792 0.05716 159 2PY -0.00447 -0.02051 -0.02784 -0.02038 -0.04583 160 2PZ -0.02097 0.05198 0.09371 -0.00864 0.00699 161 3S 0.01140 -0.06287 -0.05495 0.01003 -0.00120 162 3PX -0.01388 0.00199 0.01335 0.02086 0.04128 163 3PY -0.00490 -0.01345 -0.01588 -0.01408 -0.02974 164 3PZ -0.01876 0.04014 0.06767 -0.00677 0.00660 165 4XX 0.00012 0.00263 0.00065 -0.00019 0.00011 166 4YY 0.00034 0.00078 0.00208 0.00068 0.00223 167 4ZZ -0.00022 0.00410 0.00237 -0.00004 -0.00076 168 4XY 0.00071 0.00297 0.00282 0.00091 -0.00028 169 4XZ -0.00016 -0.00342 -0.00108 0.00087 0.00097 170 4YZ 0.00001 -0.00327 -0.00477 -0.00058 -0.00074 171 21 C 1S -0.00217 -0.00639 -0.00664 -0.00639 -0.00664 172 2S 0.00712 0.01742 0.01862 0.01742 0.01862 173 2PX 0.00980 0.02347 0.03203 0.02348 0.03204 174 2PY -0.00907 0.02367 0.02340 -0.02367 -0.02339 175 2PZ -0.00119 -0.00881 -0.02333 -0.00881 -0.02333 176 3S 0.00946 0.02692 0.02466 0.02692 0.02466 177 3PX -0.00267 0.01896 0.02622 0.01896 0.02622 178 3PY -0.01008 0.01605 0.01284 -0.01604 -0.01284 179 3PZ -0.00586 0.00208 0.00067 0.00208 0.00067 180 4XX -0.00244 0.00020 0.00292 0.00020 0.00292 181 4YY 0.00159 -0.00001 -0.00055 -0.00001 -0.00055 182 4ZZ 0.00007 -0.00167 -0.00352 -0.00167 -0.00352 183 4XY 0.00069 0.00039 0.00063 -0.00039 -0.00063 184 4XZ -0.00119 0.00197 0.00320 0.00197 0.00320 185 4YZ 0.00057 0.00185 0.00225 -0.00185 -0.00225 186 22 H 1S 0.00365 -0.00859 -0.02133 -0.00859 -0.02133 187 2S 0.00549 -0.01971 -0.03375 -0.01971 -0.03375 188 23 H 1S -0.01108 0.00315 0.01187 0.00315 0.01186 189 2S -0.02543 0.00885 0.02652 0.00885 0.02651 141 142 143 144 145 141 19 O 1S 2.07561 142 2S -0.17780 0.50274 143 2PX 0.00635 -0.01602 0.61891 144 2PY 0.03934 -0.07420 0.05184 0.66751 145 2PZ -0.01474 0.02195 0.12921 -0.00021 0.74389 146 3S -0.24634 0.59439 -0.01666 -0.21224 0.11212 147 3PX 0.00455 -0.01074 0.37208 0.06149 0.14986 148 3PY 0.02576 -0.04951 0.05984 0.42595 -0.00051 149 3PZ -0.01067 0.01634 0.13509 -0.00840 0.49385 150 4XX -0.01619 -0.00080 0.00624 -0.00495 0.00255 151 4YY -0.01262 -0.00842 0.00035 0.04102 0.00096 152 4ZZ -0.01277 -0.00781 -0.00492 -0.00627 -0.01860 153 4XY 0.00166 -0.00377 0.02715 0.00460 0.00501 154 4XZ 0.00340 -0.00727 -0.00843 -0.00122 0.00375 155 4YZ -0.00109 0.00217 0.00342 -0.00832 0.02954 156 20 O 1S 0.00077 -0.00160 0.00910 0.01112 -0.00309 157 2S -0.00160 0.00452 -0.01812 -0.02883 0.00329 158 2PX 0.00910 -0.01813 0.00973 -0.00655 0.01636 159 2PY -0.01112 0.02882 0.00655 0.13503 0.00430 160 2PZ -0.00309 0.00329 0.01636 -0.00427 -0.01313 161 3S -0.01101 0.02308 -0.07520 -0.06165 0.01885 162 3PX 0.01177 -0.02562 0.02100 -0.00494 0.01557 163 3PY -0.00498 0.01321 0.01230 0.10395 0.00628 164 3PZ -0.00396 0.00692 0.01000 -0.00409 -0.01051 165 4XX 0.00000 0.00009 0.00255 -0.00359 -0.00261 166 4YY 0.00031 -0.00108 -0.00115 0.00255 -0.00063 167 4ZZ -0.00004 0.00051 0.00203 -0.00079 -0.00134 168 4XY -0.00099 0.00234 -0.00158 0.00245 -0.00155 169 4XZ -0.00039 0.00093 0.00036 0.00260 0.00268 170 4YZ 0.00056 -0.00137 -0.00055 -0.00314 0.00084 171 21 C 1S 0.00368 -0.00672 0.03471 -0.05992 -0.01055 172 2S -0.00203 0.00298 -0.07273 0.13212 0.01807 173 2PX -0.02027 0.04949 -0.09691 0.18920 0.03500 174 2PY 0.02801 -0.06706 0.17475 -0.22058 -0.06335 175 2PZ 0.00807 -0.01880 0.03593 -0.06959 -0.01036 176 3S 0.02965 -0.07504 -0.04358 0.09851 0.00492 177 3PX 0.00241 -0.00617 -0.01035 0.06250 0.04481 178 3PY 0.00259 -0.00242 0.07794 -0.01593 -0.01978 179 3PZ -0.00277 0.00520 0.04615 -0.02573 0.04519 180 4XX 0.00099 -0.00186 0.02081 0.00949 0.01054 181 4YY -0.00619 0.01488 -0.02163 -0.00440 0.00454 182 4ZZ 0.00363 -0.00782 0.00451 -0.00733 -0.01649 183 4XY 0.00596 -0.01406 0.00417 -0.02791 -0.01232 184 4XZ 0.00064 -0.00192 0.00781 -0.00848 0.01795 185 4YZ -0.00161 0.00409 -0.01289 0.00886 -0.02082 186 22 H 1S 0.01123 -0.02518 -0.00183 -0.01429 -0.06396 187 2S 0.00725 -0.01491 -0.02326 -0.03432 -0.11725 188 23 H 1S 0.00801 -0.02061 0.06403 -0.01288 0.05216 189 2S 0.00100 -0.00590 0.12383 -0.03429 0.13127 146 147 148 149 150 146 3S 0.76067 147 3PX -0.01067 0.23554 148 3PY -0.13519 0.05352 0.27450 149 3PZ 0.07654 0.12926 -0.00433 0.33563 150 4XX -0.00067 0.00334 -0.00252 0.00185 0.00074 151 4YY -0.01783 0.00225 0.02579 -0.00021 -0.00028 152 4ZZ -0.01080 -0.00471 -0.00415 -0.01188 0.00002 153 4XY -0.00352 0.01606 0.00407 0.00536 0.00009 154 4XZ -0.00701 -0.00438 -0.00133 0.00179 -0.00011 155 4YZ 0.00677 0.00422 -0.00517 0.01899 0.00027 156 20 O 1S -0.01101 0.01177 0.00498 -0.00396 0.00000 157 2S 0.02308 -0.02562 -0.01321 0.00692 0.00009 158 2PX -0.07519 0.02100 -0.01229 0.01000 0.00255 159 2PY 0.06163 0.00494 0.10394 0.00412 0.00359 160 2PZ 0.01887 0.01557 -0.00625 -0.01051 -0.00261 161 3S 0.06981 -0.06314 -0.03228 0.01403 0.00030 162 3PX -0.06313 0.02451 -0.00922 0.01261 0.00108 163 3PY 0.03226 0.00922 0.07744 0.00649 0.00177 164 3PZ 0.01404 0.01261 -0.00648 -0.00573 -0.00182 165 4XX 0.00030 0.00108 -0.00177 -0.00182 0.00036 166 4YY -0.00505 -0.00019 0.00042 -0.00090 -0.00033 167 4ZZ 0.00033 0.00127 -0.00037 -0.00048 0.00001 168 4XY 0.00364 -0.00128 0.00200 -0.00105 0.00004 169 4XZ 0.00163 0.00074 0.00161 0.00200 -0.00003 170 4YZ -0.00165 -0.00027 -0.00232 0.00130 -0.00004 171 21 C 1S 0.01957 0.01125 -0.03577 -0.00085 -0.00075 172 2S -0.05251 -0.02667 0.07755 -0.00023 0.00110 173 2PX 0.03486 -0.05641 0.11136 0.00520 -0.00914 174 2PY -0.03408 0.07989 -0.13353 -0.02260 0.00066 175 2PZ -0.01698 0.00577 -0.03802 -0.02126 -0.00076 176 3S -0.13434 -0.01208 0.05908 -0.00683 0.00254 177 3PX -0.01247 -0.00014 0.03572 0.02734 -0.00327 178 3PY 0.00765 0.04105 -0.00584 -0.00584 -0.00023 179 3PZ 0.01192 0.02741 -0.01360 0.02750 0.00008 180 4XX -0.00485 0.01458 0.00613 0.00906 0.00018 181 4YY 0.02277 -0.01356 -0.00340 0.00146 -0.00055 182 4ZZ -0.01118 0.00075 -0.00409 -0.01070 0.00024 183 4XY -0.01301 -0.00047 -0.01782 -0.00717 0.00004 184 4XZ 0.00159 0.00694 -0.00506 0.01304 0.00057 185 4YZ 0.00066 -0.00860 0.00510 -0.01492 -0.00022 186 22 H 1S -0.05214 -0.01061 -0.00657 -0.05253 0.00088 187 2S -0.03216 -0.03137 -0.02007 -0.08473 -0.00049 188 23 H 1S -0.03251 0.05656 -0.00786 0.04856 0.00535 189 2S 0.00355 0.09829 -0.02124 0.10795 0.00405 151 152 153 154 155 151 4YY 0.00293 152 4ZZ -0.00029 0.00115 153 4XY 0.00013 -0.00025 0.00154 154 4XZ 0.00005 -0.00011 -0.00035 0.00055 155 4YZ -0.00043 -0.00061 -0.00006 0.00011 0.00156 156 20 O 1S 0.00031 -0.00004 0.00099 -0.00039 -0.00056 157 2S -0.00108 0.00051 -0.00234 0.00093 0.00137 158 2PX -0.00115 0.00203 0.00159 0.00036 0.00055 159 2PY -0.00255 0.00079 0.00245 -0.00260 -0.00314 160 2PZ -0.00063 -0.00135 0.00155 0.00268 -0.00084 161 3S -0.00505 0.00033 -0.00364 0.00163 0.00165 162 3PX -0.00019 0.00127 0.00128 0.00074 0.00027 163 3PY -0.00042 0.00037 0.00200 -0.00161 -0.00232 164 3PZ -0.00090 -0.00048 0.00105 0.00200 -0.00130 165 4XX -0.00033 0.00001 -0.00004 -0.00003 0.00004 166 4YY 0.00088 -0.00023 -0.00016 0.00012 0.00005 167 4ZZ -0.00023 0.00030 0.00004 -0.00017 -0.00001 168 4XY 0.00016 -0.00004 -0.00043 -0.00001 0.00006 169 4XZ 0.00012 -0.00017 0.00001 0.00010 -0.00001 170 4YZ -0.00005 0.00001 0.00006 0.00001 -0.00017 171 21 C 1S -0.00707 0.00146 0.00478 0.00072 -0.00109 172 2S 0.01324 -0.00268 -0.00902 -0.00063 0.00218 173 2PX 0.01503 -0.00327 -0.00118 0.00111 0.00149 174 2PY -0.01035 0.00276 0.00633 -0.00043 0.00046 175 2PZ -0.00494 0.00639 0.00327 -0.00699 0.00679 176 3S 0.00995 -0.00061 -0.00667 0.00039 0.00166 177 3PX 0.00460 -0.00084 0.00074 0.00116 0.00140 178 3PY -0.00087 0.00006 0.00320 -0.00090 -0.00067 179 3PZ -0.00198 0.00090 0.00251 -0.00266 0.00418 180 4XX 0.00064 -0.00056 0.00093 0.00004 -0.00001 181 4YY -0.00033 -0.00034 -0.00083 0.00034 0.00022 182 4ZZ -0.00056 0.00092 0.00020 -0.00049 -0.00038 183 4XY -0.00123 0.00065 0.00007 0.00026 -0.00008 184 4XZ -0.00071 -0.00050 0.00009 0.00035 0.00059 185 4YZ 0.00036 0.00039 -0.00046 0.00001 -0.00096 186 22 H 1S 0.00015 0.00490 -0.00129 -0.00491 0.00201 187 2S -0.00212 0.00625 -0.00065 -0.00411 -0.00132 188 23 H 1S -0.00056 -0.00300 -0.00115 0.00171 -0.00049 189 2S -0.00325 -0.00390 0.00318 0.00188 0.00198 156 157 158 159 160 156 20 O 1S 2.07561 157 2S -0.17780 0.50274 158 2PX 0.00636 -0.01602 0.61890 159 2PY -0.03934 0.07419 -0.05187 0.66749 160 2PZ -0.01475 0.02197 0.12921 0.00019 0.74390 161 3S -0.24635 0.59441 -0.01668 0.21221 0.11217 162 3PX 0.00455 -0.01074 0.37209 -0.06151 0.14985 163 3PY -0.02576 0.04950 -0.05987 0.42595 0.00049 164 3PZ -0.01067 0.01635 0.13508 0.00838 0.49386 165 4XX -0.01619 -0.00080 0.00624 0.00495 0.00255 166 4YY -0.01262 -0.00841 0.00035 -0.04101 0.00096 167 4ZZ -0.01277 -0.00781 -0.00492 0.00627 -0.01861 168 4XY -0.00166 0.00377 -0.02715 0.00461 -0.00501 169 4XZ 0.00340 -0.00727 -0.00844 0.00122 0.00375 170 4YZ 0.00109 -0.00217 -0.00342 -0.00832 -0.02953 171 21 C 1S 0.00368 -0.00672 0.03470 0.05992 -0.01054 172 2S -0.00203 0.00297 -0.07272 -0.13211 0.01804 173 2PX -0.02027 0.04948 -0.09690 -0.18919 0.03495 174 2PY -0.02801 0.06705 -0.17474 -0.22064 0.06330 175 2PZ 0.00806 -0.01878 0.03589 0.06955 -0.01033 176 3S 0.02965 -0.07504 -0.04358 -0.09851 0.00489 177 3PX 0.00241 -0.00617 -0.01035 -0.06252 0.04480 178 3PY -0.00259 0.00242 -0.07796 -0.01595 0.01977 179 3PZ -0.00277 0.00520 0.04614 0.02572 0.04521 180 4XX 0.00099 -0.00186 0.02081 -0.00949 0.01053 181 4YY -0.00619 0.01488 -0.02164 0.00439 0.00453 182 4ZZ 0.00363 -0.00782 0.00451 0.00734 -0.01648 183 4XY -0.00596 0.01406 -0.00417 -0.02791 0.01231 184 4XZ 0.00064 -0.00192 0.00781 0.00847 0.01796 185 4YZ 0.00161 -0.00408 0.01288 0.00886 0.02082 186 22 H 1S 0.01123 -0.02518 -0.00183 0.01431 -0.06395 187 2S 0.00725 -0.01491 -0.02326 0.03435 -0.11723 188 23 H 1S 0.00801 -0.02060 0.06403 0.01287 0.05216 189 2S 0.00100 -0.00590 0.12382 0.03426 0.13128 161 162 163 164 165 161 3S 0.76072 162 3PX -0.01068 0.23555 163 3PY 0.13516 -0.05355 0.27450 164 3PZ 0.07657 0.12925 0.00432 0.33564 165 4XX -0.00067 0.00334 0.00251 0.00185 0.00074 166 4YY -0.01783 0.00225 -0.02579 -0.00021 -0.00028 167 4ZZ -0.01080 -0.00471 0.00415 -0.01188 0.00002 168 4XY 0.00352 -0.01606 0.00408 -0.00536 -0.00009 169 4XZ -0.00700 -0.00439 0.00133 0.00179 -0.00011 170 4YZ -0.00677 -0.00422 -0.00517 -0.01899 -0.00027 171 21 C 1S 0.01957 0.01125 0.03577 -0.00084 -0.00075 172 2S -0.05251 -0.02666 -0.07755 -0.00025 0.00110 173 2PX 0.03485 -0.05640 -0.11135 0.00518 -0.00914 174 2PY 0.03408 -0.07989 -0.13356 0.02258 -0.00066 175 2PZ -0.01698 0.00575 0.03800 -0.02125 -0.00076 176 3S -0.13434 -0.01209 -0.05908 -0.00685 0.00254 177 3PX -0.01247 -0.00013 -0.03573 0.02734 -0.00327 178 3PY -0.00766 -0.04106 -0.00586 0.00583 0.00023 179 3PZ 0.01191 0.02740 0.01360 0.02751 0.00008 180 4XX -0.00485 0.01458 -0.00613 0.00906 0.00018 181 4YY 0.02277 -0.01357 0.00339 0.00146 -0.00055 182 4ZZ -0.01118 0.00075 0.00409 -0.01069 0.00024 183 4XY 0.01300 0.00047 -0.01783 0.00717 -0.00004 184 4XZ 0.00159 0.00694 0.00506 0.01304 0.00057 185 4YZ -0.00065 0.00860 0.00510 0.01493 0.00022 186 22 H 1S -0.05214 -0.01061 0.00658 -0.05252 0.00088 187 2S -0.03216 -0.03137 0.02009 -0.08472 -0.00049 188 23 H 1S -0.03251 0.05656 0.00786 0.04856 0.00535 189 2S 0.00356 0.09829 0.02122 0.10795 0.00405 166 167 168 169 170 166 4YY 0.00293 167 4ZZ -0.00029 0.00115 168 4XY -0.00013 0.00025 0.00154 169 4XZ 0.00005 -0.00011 0.00035 0.00055 170 4YZ 0.00043 0.00061 -0.00006 -0.00011 0.00156 171 21 C 1S -0.00707 0.00146 -0.00478 0.00071 0.00108 172 2S 0.01324 -0.00268 0.00902 -0.00063 -0.00217 173 2PX 0.01503 -0.00327 0.00118 0.00111 -0.00148 174 2PY 0.01036 -0.00276 0.00633 0.00043 0.00047 175 2PZ -0.00494 0.00638 -0.00326 -0.00699 -0.00679 176 3S 0.00996 -0.00061 0.00667 0.00039 -0.00166 177 3PX 0.00460 -0.00084 -0.00074 0.00116 -0.00140 178 3PY 0.00088 -0.00006 0.00320 0.00091 -0.00067 179 3PZ -0.00198 0.00089 -0.00251 -0.00266 -0.00418 180 4XX 0.00064 -0.00056 -0.00093 0.00004 0.00001 181 4YY -0.00033 -0.00034 0.00083 0.00034 -0.00022 182 4ZZ -0.00056 0.00092 -0.00020 -0.00049 0.00038 183 4XY 0.00123 -0.00065 0.00007 -0.00026 -0.00008 184 4XZ -0.00071 -0.00050 -0.00009 0.00035 -0.00059 185 4YZ -0.00036 -0.00039 -0.00046 -0.00001 -0.00096 186 22 H 1S 0.00015 0.00490 0.00129 -0.00491 -0.00201 187 2S -0.00212 0.00625 0.00065 -0.00411 0.00132 188 23 H 1S -0.00056 -0.00300 0.00115 0.00171 0.00049 189 2S -0.00324 -0.00390 -0.00318 0.00188 -0.00198 171 172 173 174 175 171 21 C 1S 2.04988 172 2S -0.06565 0.34507 173 2PX 0.01935 -0.03141 0.38990 174 2PY 0.00000 0.00000 -0.00001 0.29479 175 2PZ -0.00690 0.01462 0.02501 -0.00001 0.46074 176 3S -0.14934 0.26010 -0.06913 0.00001 0.01018 177 3PX 0.01725 -0.03493 0.12988 0.00001 -0.00346 178 3PY 0.00000 0.00000 0.00001 0.07133 -0.00001 179 3PZ -0.00161 0.00463 0.00309 -0.00001 0.16104 180 4XX -0.01697 -0.00181 -0.00428 0.00000 -0.01504 181 4YY -0.01319 -0.01006 0.02121 0.00000 -0.00791 182 4ZZ -0.01826 0.00097 -0.01466 0.00000 0.02222 183 4XY 0.00000 0.00000 0.00000 0.02764 0.00000 184 4XZ -0.00017 -0.00018 -0.01749 0.00000 -0.01530 185 4YZ 0.00000 0.00000 0.00000 -0.01017 -0.00001 186 22 H 1S -0.06049 0.12724 -0.05004 -0.00003 0.27567 187 2S -0.01310 0.03867 -0.02104 -0.00002 0.22748 188 23 H 1S -0.05869 0.11885 -0.21459 0.00001 -0.17364 189 2S -0.00827 0.02348 -0.17715 0.00002 -0.16454 176 177 178 179 180 176 3S 0.23163 177 3PX -0.03445 0.05548 178 3PY 0.00000 0.00000 0.02777 179 3PZ -0.00047 0.00131 -0.00001 0.06559 180 4XX -0.00001 0.00078 0.00000 -0.00236 0.00243 181 4YY -0.01252 0.00632 0.00000 -0.00359 -0.00114 182 4ZZ 0.00474 -0.00612 0.00000 0.00601 -0.00063 183 4XY 0.00000 0.00000 0.00411 0.00000 0.00000 184 4XZ 0.00242 -0.00337 0.00000 -0.00256 0.00114 185 4YZ 0.00000 0.00000 -0.00225 0.00000 0.00000 186 22 H 1S 0.10521 -0.03676 -0.00001 0.08871 -0.01009 187 2S 0.03139 -0.02458 -0.00001 0.06330 -0.01136 188 23 H 1S 0.11412 -0.06665 0.00000 -0.04683 0.01187 189 2S 0.03154 -0.03656 0.00000 -0.02965 0.01580 181 182 183 184 185 181 4YY 0.00355 182 4ZZ -0.00161 0.00259 183 4XY 0.00000 0.00000 0.00351 184 4XZ -0.00048 -0.00084 0.00000 0.00234 185 4YZ 0.00000 0.00000 -0.00055 0.00000 0.00183 186 22 H 1S -0.01175 0.01845 0.00000 -0.00998 0.00000 187 2S -0.00629 0.01676 0.00000 -0.01245 0.00000 188 23 H 1S -0.01320 -0.00197 0.00000 0.01733 0.00000 189 2S -0.01025 -0.00598 0.00000 0.01984 0.00000 186 187 188 189 186 22 H 1S 0.22384 187 2S 0.16995 0.15546 188 23 H 1S -0.04284 -0.07925 0.22402 189 2S -0.08779 -0.11042 0.19017 0.21157 Full Mulliken population analysis: 1 2 3 4 5 1 1 C 1S 2.05282 2 2S -0.01370 0.32755 3 2PX 0.00000 0.00000 0.35515 4 2PY 0.00000 0.00000 0.00000 0.41443 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.40212 6 3S -0.02917 0.19680 0.00000 0.00000 0.00000 7 3PX 0.00000 0.00000 0.12497 0.00000 0.00000 8 3PY 0.00000 0.00000 0.00000 0.07776 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.06992 10 4XX -0.00098 -0.00926 0.00000 0.00000 0.00000 11 4YY -0.00134 -0.00220 0.00000 0.00000 0.00000 12 4ZZ -0.00141 -0.00118 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 -0.00060 -0.00008 -0.00064 -0.00230 17 2S -0.00055 0.01175 0.00109 0.00957 0.03310 18 2PX -0.00010 0.00159 0.01558 0.00035 0.00939 19 2PY -0.00069 0.00979 -0.00035 -0.00037 0.02652 20 2PZ -0.00217 0.03226 0.01190 0.02709 0.03733 21 3S -0.00073 0.01369 0.00012 0.00626 0.03439 22 3PX 0.00003 -0.00012 0.02858 -0.00001 0.00427 23 3PY -0.00067 0.00768 -0.00075 -0.00083 0.01065 24 3PZ -0.00155 0.01812 0.00651 0.01220 0.00354 25 4XX 0.00001 -0.00053 0.00006 -0.00020 -0.00091 26 4YY 0.00002 -0.00046 -0.00001 -0.00025 -0.00035 27 4ZZ -0.00014 0.00189 0.00050 0.00199 -0.00092 28 4XY -0.00001 0.00009 0.00029 0.00000 0.00026 29 4XZ -0.00002 0.00017 0.00134 0.00012 0.00019 30 4YZ -0.00013 0.00141 0.00027 -0.00004 0.00193 31 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 32 2S 0.00000 -0.00009 -0.00002 -0.00030 -0.00005 33 2PX 0.00000 0.00000 -0.00004 0.00000 -0.00001 34 2PY 0.00000 -0.00024 -0.00002 -0.00052 -0.00005 35 2PZ 0.00000 -0.00016 -0.00002 -0.00036 -0.00005 36 3S 0.00005 -0.00115 -0.00026 -0.00152 -0.00166 37 3PX 0.00000 -0.00001 -0.00115 -0.00027 -0.00016 38 3PY 0.00007 -0.00138 -0.00035 0.00058 -0.00015 39 3PZ 0.00007 -0.00140 -0.00034 -0.00242 -0.00021 40 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 41 4YY 0.00000 0.00003 0.00000 0.00014 0.00001 42 4ZZ 0.00000 -0.00001 0.00000 -0.00002 0.00000 43 4XY 0.00000 0.00000 0.00001 0.00000 0.00000 44 4XZ 0.00000 0.00000 0.00001 0.00000 0.00000 45 4YZ 0.00000 0.00001 0.00000 0.00009 0.00000 46 4 C 1S 0.00000 -0.00046 0.00000 -0.00253 0.00000 47 2S -0.00046 0.00935 0.00000 0.03966 0.00000 48 2PX 0.00000 0.00000 0.01518 0.00000 0.00000 49 2PY -0.00253 0.03966 0.00000 0.09673 0.00000 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.00346 51 3S -0.00031 0.01099 0.00000 0.03106 0.00000 52 3PX 0.00000 0.00000 0.02443 0.00000 0.00000 53 3PY -0.00167 0.02306 0.00000 0.01798 0.00000 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.01020 55 4XX 0.00000 -0.00038 0.00000 -0.00084 0.00000 56 4YY -0.00026 0.00361 0.00000 0.00229 0.00000 57 4ZZ 0.00000 -0.00051 0.00000 -0.00133 0.00000 58 4XY 0.00000 0.00000 0.00204 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 0.00201 61 5 H 1S -0.00201 0.03151 0.01630 0.02421 0.05811 62 2S -0.00121 0.01248 0.01123 0.01528 0.03818 63 6 H 1S 0.00000 -0.00017 -0.00001 -0.00057 -0.00013 64 2S 0.00019 -0.00255 -0.00037 -0.00815 -0.00201 65 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 0.00000 -0.00001 0.00000 -0.00002 67 2PX 0.00000 -0.00001 -0.00002 0.00000 -0.00004 68 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 69 2PZ 0.00000 -0.00002 0.00000 0.00000 -0.00004 70 3S 0.00001 0.00008 -0.00033 0.00000 0.00017 71 3PX 0.00002 -0.00065 -0.00035 0.00000 -0.00157 72 3PY 0.00000 0.00000 0.00000 -0.00004 -0.00001 73 3PZ 0.00004 -0.00032 -0.00045 0.00000 0.00009 74 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 76 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4XZ 0.00000 0.00000 0.00001 0.00000 0.00001 79 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 81 2S 0.00000 0.00000 0.00000 0.00000 0.00000 82 2PX 0.00000 0.00000 -0.00001 0.00000 -0.00001 83 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 84 2PZ 0.00000 0.00000 -0.00002 0.00000 -0.00001 85 3S 0.00000 -0.00015 -0.00017 -0.00004 -0.00040 86 3PX 0.00000 0.00000 -0.00053 -0.00022 -0.00056 87 3PY 0.00000 -0.00010 0.00037 0.00003 0.00002 88 3PZ 0.00000 -0.00019 -0.00080 -0.00008 -0.00077 89 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 91 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 92 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00013 0.00000 0.00052 0.00003 97 10 H 1S 0.00000 -0.00019 0.00000 -0.00048 -0.00026 98 2S 0.00019 -0.00279 0.00008 -0.00661 -0.00295 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 0.00001 0.00001 -0.00002 103 2PZ 0.00000 -0.00001 -0.00001 -0.00002 0.00000 104 3S 0.00002 -0.00042 -0.00012 -0.00033 -0.00038 105 3PX 0.00001 -0.00016 -0.00001 -0.00039 0.00004 106 3PY 0.00001 -0.00023 0.00041 0.00008 -0.00088 107 3PZ 0.00001 -0.00023 0.00000 -0.00044 -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 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 116 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 117 2S 0.00000 0.00001 0.00010 -0.00001 -0.00002 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 -0.00004 -0.00006 0.00000 -0.00014 120 2PX 0.00000 -0.00006 0.00004 0.00000 -0.00026 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 -0.00018 -0.00015 0.00000 -0.00039 123 3S 0.00004 -0.00071 -0.00205 0.00001 -0.00159 124 3PX 0.00004 -0.00086 0.00011 0.00003 -0.00298 125 3PY 0.00000 0.00003 0.00004 0.00013 0.00007 126 3PZ 0.00012 -0.00201 -0.00037 -0.00001 -0.00290 127 4XX 0.00000 0.00000 -0.00001 0.00000 0.00001 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00002 0.00006 0.00000 0.00004 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00003 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00014 0.00018 0.00002 0.00021 135 16 H 1S 0.00000 0.00000 -0.00001 0.00000 0.00000 136 2S 0.00000 -0.00004 -0.00059 0.00000 0.00019 137 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00002 0.00001 0.00001 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00000 0.00003 -0.00008 0.00000 0.00002 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 -0.00002 -0.00015 0.00000 -0.00006 147 3PX 0.00000 -0.00007 -0.00015 0.00000 -0.00006 148 3PY 0.00000 0.00000 -0.00004 0.00000 -0.00001 149 3PZ 0.00000 -0.00004 -0.00005 -0.00001 0.00002 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.00003 0.00000 0.00001 163 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00003 0.00000 0.00001 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 -0.00002 0.00000 0.00000 177 3PX 0.00000 0.00000 0.00023 0.00000 0.00003 178 3PY 0.00000 0.00000 0.00003 0.00000 0.00000 179 3PZ 0.00000 0.00000 -0.00002 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 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 0.00004 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 6 7 8 9 10 6 3S 0.23665 7 3PX 0.00000 0.14682 8 3PY 0.00000 0.00000 0.05806 9 3PZ 0.00000 0.00000 0.00000 0.05818 10 4XX -0.00540 0.00000 0.00000 0.00000 0.00073 11 4YY -0.00176 0.00000 0.00000 0.00000 0.00004 12 4ZZ 0.00010 0.00000 0.00000 0.00000 0.00008 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 0.00057 0.00019 -0.00040 -0.00061 0.00001 17 2S 0.00549 -0.00087 0.00362 0.01568 -0.00036 18 2PX 0.00073 0.02581 -0.00025 0.00448 0.00004 19 2PY 0.01080 -0.00098 0.00131 0.00874 -0.00019 20 2PZ 0.01333 0.00536 0.01498 0.00074 -0.00062 21 3S -0.01157 -0.00246 0.00205 0.01608 -0.00084 22 3PX 0.00067 0.04680 -0.00111 0.00457 -0.00011 23 3PY 0.00480 -0.00117 0.00079 0.00413 -0.00027 24 3PZ 0.00210 0.00505 0.01101 0.00065 -0.00018 25 4XX -0.00040 -0.00018 -0.00046 -0.00021 0.00002 26 4YY -0.00145 -0.00002 -0.00041 -0.00028 0.00000 27 4ZZ 0.00253 0.00049 0.00106 -0.00076 -0.00002 28 4XY 0.00003 0.00021 -0.00001 0.00004 0.00000 29 4XZ 0.00004 0.00103 -0.00002 0.00003 0.00000 30 4YZ 0.00037 0.00002 -0.00001 0.00005 -0.00004 31 3 C 1S -0.00001 0.00000 0.00010 -0.00009 0.00000 32 2S -0.00108 -0.00010 -0.00226 0.00033 0.00000 33 2PX -0.00004 -0.00102 -0.00028 -0.00020 0.00000 34 2PY -0.00519 0.00000 -0.00558 0.00027 0.00000 35 2PZ 0.00148 0.00004 0.00101 0.00049 0.00000 36 3S -0.00123 -0.00022 -0.00338 -0.00104 0.00003 37 3PX -0.00079 -0.00494 -0.00136 -0.00076 0.00001 38 3PY -0.00657 -0.00034 -0.00205 0.00089 0.00000 39 3PZ 0.00329 -0.00048 0.00197 -0.00058 -0.00001 40 4XX -0.00007 0.00000 -0.00017 -0.00006 0.00000 41 4YY 0.00044 -0.00002 0.00071 0.00000 0.00000 42 4ZZ -0.00011 0.00003 -0.00016 0.00000 0.00000 43 4XY 0.00000 0.00005 0.00000 0.00001 0.00000 44 4XZ -0.00002 0.00010 -0.00001 0.00000 0.00000 45 4YZ 0.00013 0.00000 0.00016 0.00002 0.00000 46 4 C 1S -0.00031 0.00000 -0.00167 0.00000 0.00000 47 2S 0.01099 0.00000 0.02307 0.00000 -0.00038 48 2PX 0.00000 0.02443 0.00000 0.00000 0.00000 49 2PY 0.03106 0.00000 0.01798 0.00000 -0.00084 50 2PZ 0.00000 0.00000 0.00000 0.01020 0.00000 51 3S -0.00467 0.00000 0.01031 0.00000 -0.00083 52 3PX 0.00000 0.04128 0.00000 0.00000 0.00000 53 3PY 0.01030 0.00000 0.00190 0.00000 -0.00069 54 3PZ 0.00000 0.00000 0.00000 0.01004 0.00000 55 4XX -0.00083 0.00000 -0.00069 0.00000 0.00002 56 4YY 0.00381 0.00000 0.00115 0.00000 -0.00006 57 4ZZ -0.00199 0.00000 -0.00204 0.00000 0.00001 58 4XY 0.00000 0.00130 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 0.00046 0.00000 61 5 H 1S 0.04222 0.00788 0.00986 0.02403 -0.00036 62 2S 0.03625 0.00864 0.00743 0.01856 0.00032 63 6 H 1S -0.00414 0.00006 -0.00333 0.00017 0.00000 64 2S -0.01645 -0.00018 -0.01333 0.00033 0.00010 65 7 C 1S 0.00000 0.00002 0.00000 0.00002 0.00000 66 2S -0.00003 -0.00059 0.00000 -0.00062 0.00000 67 2PX 0.00036 -0.00051 0.00000 -0.00030 0.00000 68 2PY 0.00000 0.00000 0.00009 0.00000 0.00000 69 2PZ 0.00011 -0.00063 0.00000 -0.00068 0.00000 70 3S 0.00047 -0.00225 0.00000 -0.00168 0.00000 71 3PX 0.00174 -0.00125 0.00000 -0.00234 0.00000 72 3PY 0.00000 0.00000 -0.00020 -0.00001 0.00000 73 3PZ 0.00066 -0.00273 0.00000 -0.00122 -0.00003 74 4XX -0.00004 0.00004 0.00000 -0.00005 0.00000 75 4YY 0.00000 -0.00003 0.00000 -0.00002 0.00000 76 4ZZ 0.00007 0.00008 0.00000 0.00014 0.00000 77 4XY 0.00000 0.00000 -0.00001 0.00000 0.00000 78 4XZ 0.00000 0.00008 0.00000 0.00008 0.00000 79 4YZ 0.00000 0.00000 -0.00002 0.00000 0.00000 80 8 C 1S 0.00000 0.00001 0.00000 0.00001 0.00000 81 2S 0.00000 -0.00029 -0.00003 -0.00023 0.00000 82 2PX -0.00010 -0.00048 -0.00026 -0.00085 0.00000 83 2PY -0.00008 0.00014 0.00002 0.00001 0.00000 84 2PZ -0.00011 -0.00123 -0.00039 -0.00083 0.00000 85 3S -0.00079 -0.00156 -0.00041 -0.00183 0.00000 86 3PX -0.00069 -0.00149 -0.00149 -0.00410 0.00000 87 3PY -0.00029 0.00180 0.00008 0.00119 0.00000 88 3PZ -0.00045 -0.00467 -0.00119 -0.00299 0.00001 89 4XX 0.00000 -0.00001 -0.00001 -0.00002 0.00000 90 4YY 0.00000 0.00000 0.00000 -0.00001 0.00000 91 4ZZ 0.00001 0.00006 0.00001 0.00005 0.00000 92 4XY 0.00000 -0.00001 0.00000 0.00000 0.00000 93 4XZ -0.00001 0.00000 -0.00001 -0.00001 0.00000 94 4YZ 0.00000 -0.00001 0.00000 -0.00001 0.00000 95 9 H 1S 0.00014 0.00000 0.00034 -0.00001 0.00000 96 2S 0.00203 -0.00002 0.00381 0.00011 0.00000 97 10 H 1S -0.00397 0.00003 -0.00003 -0.00158 0.00000 98 2S -0.01341 0.00029 -0.00224 -0.00516 0.00000 99 11 C 1S 0.00002 0.00001 0.00001 0.00001 0.00000 100 2S -0.00038 -0.00025 -0.00015 -0.00013 0.00000 101 2PX -0.00067 -0.00013 -0.00021 -0.00049 0.00000 102 2PY -0.00021 0.00023 0.00009 -0.00050 0.00000 103 2PZ -0.00082 -0.00037 -0.00079 -0.00015 0.00000 104 3S -0.00472 -0.00083 -0.00209 -0.00150 0.00002 105 3PX -0.00270 0.00002 -0.00093 -0.00135 0.00000 106 3PY -0.00122 0.00171 -0.00003 -0.00233 0.00000 107 3PZ -0.00311 -0.00033 -0.00223 -0.00045 0.00002 108 4XX -0.00001 0.00002 -0.00005 -0.00002 0.00000 109 4YY 0.00001 -0.00003 0.00003 -0.00001 0.00000 110 4ZZ 0.00003 -0.00001 0.00002 0.00006 0.00000 111 4XY 0.00001 0.00000 0.00000 0.00002 0.00000 112 4XZ -0.00003 0.00000 -0.00002 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00002 -0.00001 0.00000 114 12 H 1S 0.00001 0.00000 0.00002 0.00001 0.00000 115 2S 0.00032 0.00000 0.00031 0.00023 0.00000 116 13 H 1S 0.00004 0.00007 -0.00002 0.00004 0.00000 117 2S 0.00062 0.00138 -0.00036 -0.00003 0.00000 118 14 C 1S 0.00002 0.00006 0.00000 0.00005 0.00000 119 2S -0.00047 -0.00094 -0.00004 -0.00079 0.00000 120 2PX 0.00037 0.00033 -0.00004 0.00003 0.00000 121 2PY -0.00002 0.00002 0.00017 -0.00003 0.00000 122 2PZ -0.00145 -0.00148 -0.00016 -0.00112 0.00001 123 3S 0.00196 -0.00722 -0.00019 0.00182 0.00005 124 3PX 0.00125 -0.00006 -0.00003 -0.00127 0.00003 125 3PY 0.00007 0.00009 0.00106 0.00000 0.00000 126 3PZ -0.00137 -0.00113 -0.00025 -0.00149 0.00014 127 4XX -0.00003 -0.00023 -0.00001 0.00016 0.00000 128 4YY -0.00007 0.00001 0.00000 -0.00010 0.00000 129 4ZZ 0.00018 0.00049 0.00002 0.00005 0.00000 130 4XY 0.00000 0.00000 -0.00002 0.00000 0.00000 131 4XZ 0.00002 0.00000 0.00000 0.00008 0.00000 132 4YZ 0.00000 0.00000 -0.00005 0.00000 0.00000 133 15 H 1S 0.00005 0.00007 0.00004 0.00006 0.00000 134 2S 0.00085 0.00129 0.00040 0.00019 0.00000 135 16 H 1S -0.00013 -0.00083 -0.00001 0.00002 0.00000 136 2S -0.00096 -0.00342 -0.00002 0.00000 0.00000 137 17 H 1S 0.00000 0.00001 0.00001 0.00001 0.00000 138 2S 0.00014 0.00029 0.00024 0.00042 0.00000 139 18 H 1S 0.00002 -0.00006 0.00002 -0.00001 0.00000 140 2S 0.00022 -0.00057 0.00020 -0.00001 0.00000 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S -0.00004 -0.00009 0.00000 -0.00004 0.00000 143 2PX 0.00012 -0.00009 -0.00001 0.00012 0.00000 144 2PY 0.00000 -0.00003 -0.00001 -0.00001 0.00000 145 2PZ 0.00015 0.00008 -0.00003 0.00015 0.00000 146 3S -0.00009 -0.00141 -0.00002 -0.00037 0.00000 147 3PX 0.00108 0.00001 -0.00010 0.00099 0.00001 148 3PY 0.00004 -0.00038 -0.00009 -0.00013 0.00000 149 3PZ 0.00114 0.00081 -0.00014 0.00065 0.00001 150 4XX 0.00001 0.00001 0.00000 0.00001 0.00000 151 4YY 0.00000 -0.00003 0.00000 -0.00001 0.00000 152 4ZZ -0.00001 0.00003 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00004 0.00000 0.00001 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00001 0.00001 0.00000 0.00001 0.00000 158 2PX 0.00001 0.00006 0.00001 0.00003 0.00000 159 2PY 0.00001 0.00000 0.00000 0.00001 0.00000 160 2PZ -0.00001 0.00007 0.00000 0.00001 0.00000 161 3S 0.00005 -0.00003 0.00000 0.00006 0.00000 162 3PX 0.00010 0.00072 0.00007 0.00039 0.00000 163 3PY 0.00009 -0.00021 -0.00002 0.00002 0.00000 164 3PZ -0.00006 0.00090 0.00005 0.00010 0.00000 165 4XX 0.00000 -0.00002 -0.00001 -0.00001 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00001 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 -0.00007 0.00000 -0.00001 0.00000 173 2PX 0.00000 -0.00005 0.00000 -0.00001 0.00000 174 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 175 2PZ -0.00001 -0.00001 0.00000 0.00000 0.00000 176 3S 0.00002 -0.00040 -0.00002 -0.00009 0.00000 177 3PX 0.00002 0.00174 0.00003 0.00031 0.00000 178 3PY 0.00003 0.00024 -0.00004 0.00005 0.00000 179 3PZ 0.00003 0.00002 0.00002 0.00000 0.00000 180 4XX 0.00000 0.00001 0.00000 0.00001 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S -0.00001 -0.00002 0.00000 0.00000 0.00000 187 2S -0.00022 0.00020 -0.00001 -0.00002 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00001 0.00011 0.00000 0.00004 0.00000 11 12 13 14 15 11 4YY 0.00115 12 4ZZ -0.00018 0.00110 13 4XY 0.00000 0.00000 0.00077 14 4XZ 0.00000 0.00000 0.00000 0.00070 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00134 16 2 C 1S 0.00001 -0.00012 -0.00001 -0.00002 -0.00014 17 2S -0.00045 0.00170 0.00010 0.00017 0.00145 18 2PX -0.00002 0.00041 0.00035 0.00110 0.00028 19 2PY -0.00027 0.00200 0.00000 0.00021 -0.00003 20 2PZ -0.00070 -0.00077 0.00029 0.00021 0.00176 21 3S -0.00065 0.00205 0.00005 0.00000 0.00074 22 3PX -0.00014 0.00052 0.00034 0.00069 0.00003 23 3PY -0.00054 0.00077 0.00000 0.00000 0.00005 24 3PZ -0.00048 -0.00084 0.00009 0.00003 0.00010 25 4XX -0.00001 0.00001 0.00000 0.00000 -0.00005 26 4YY 0.00004 -0.00017 0.00000 -0.00004 0.00001 27 4ZZ -0.00012 0.00004 -0.00002 0.00005 -0.00009 28 4XY 0.00000 0.00000 0.00000 0.00002 0.00000 29 4XZ -0.00002 0.00004 -0.00001 -0.00003 -0.00003 30 4YZ 0.00000 -0.00008 0.00000 -0.00001 0.00002 31 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 32 2S 0.00002 0.00000 0.00000 0.00000 0.00003 33 2PX 0.00001 0.00000 0.00002 0.00000 0.00001 34 2PY 0.00006 0.00000 0.00000 0.00000 0.00008 35 2PZ 0.00003 0.00001 0.00001 0.00000 0.00003 36 3S 0.00012 0.00003 0.00000 0.00000 0.00022 37 3PX 0.00003 -0.00003 0.00022 -0.00004 0.00003 38 3PY 0.00017 0.00007 -0.00001 0.00000 0.00021 39 3PZ -0.00003 0.00011 0.00006 0.00000 0.00003 40 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 41 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 42 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 43 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S -0.00026 0.00000 0.00000 0.00000 0.00000 47 2S 0.00361 -0.00051 0.00000 0.00000 0.00000 48 2PX 0.00000 0.00000 0.00204 0.00000 0.00000 49 2PY 0.00229 -0.00133 0.00000 0.00000 0.00000 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.00201 51 3S 0.00381 -0.00199 0.00000 0.00000 0.00000 52 3PX 0.00000 0.00000 0.00130 0.00000 0.00000 53 3PY 0.00115 -0.00204 0.00000 0.00000 0.00000 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.00046 55 4XX -0.00006 0.00001 0.00000 0.00000 0.00000 56 4YY -0.00007 -0.00001 0.00000 0.00000 0.00000 57 4ZZ -0.00001 0.00002 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00000 -0.00009 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 -0.00025 61 5 H 1S -0.00080 0.00180 0.00071 0.00150 0.00268 62 2S -0.00129 0.00240 0.00016 0.00026 0.00061 63 6 H 1S 0.00002 0.00000 0.00002 0.00000 0.00006 64 2S -0.00017 0.00015 0.00009 0.00000 0.00029 65 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 0.00000 0.00000 0.00000 0.00000 67 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 68 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 69 2PZ 0.00000 0.00001 0.00000 0.00001 0.00000 70 3S -0.00002 0.00006 0.00000 0.00002 0.00000 71 3PX -0.00003 0.00014 0.00000 0.00005 0.00000 72 3PY 0.00000 0.00000 0.00002 0.00000 0.00000 73 3PZ -0.00004 0.00012 0.00000 0.00010 0.00000 74 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 76 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 81 2S 0.00000 0.00000 0.00000 0.00000 0.00000 82 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 83 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 84 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 85 3S 0.00001 0.00000 0.00000 0.00000 0.00001 86 3PX 0.00000 0.00001 0.00000 0.00000 -0.00001 87 3PY 0.00000 -0.00001 0.00000 0.00000 0.00000 88 3PZ 0.00000 0.00001 0.00000 0.00001 0.00001 89 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 91 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 92 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S -0.00001 0.00000 0.00000 0.00000 -0.00001 97 10 H 1S 0.00009 -0.00003 0.00000 0.00000 0.00006 98 2S 0.00098 -0.00058 0.00001 -0.00001 0.00016 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 -0.00003 -0.00002 0.00001 -0.00001 105 3PX -0.00001 0.00002 0.00000 0.00000 -0.00002 106 3PY 0.00004 -0.00006 0.00000 -0.00001 0.00000 107 3PZ -0.00001 -0.00001 0.00000 0.00001 -0.00002 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 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 117 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00001 0.00000 0.00001 0.00000 120 2PX 0.00000 0.00003 0.00000 0.00002 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00004 0.00000 0.00004 0.00000 123 3S -0.00012 0.00023 0.00000 0.00007 -0.00001 124 3PX -0.00008 0.00023 0.00000 0.00004 -0.00001 125 3PY 0.00000 0.00000 0.00002 0.00000 -0.00006 126 3PZ -0.00013 0.00024 0.00000 0.00016 -0.00001 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 -0.00002 0.00000 0.00000 0.00000 135 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 136 2S 0.00000 0.00001 -0.00001 -0.00003 0.00000 137 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3PX 0.00000 -0.00002 0.00000 -0.00001 0.00000 148 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00000 0.00000 0.00000 177 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 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 2.05493 17 2S -0.01338 0.32601 18 2PX 0.00000 0.00000 0.34894 19 2PY 0.00000 0.00000 0.00000 0.41139 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.39186 21 3S -0.03626 0.23449 0.00000 0.00000 0.00000 22 3PX 0.00000 0.00000 0.11485 0.00000 0.00000 23 3PY 0.00000 0.00000 0.00000 0.07561 0.00000 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.09432 25 4XX -0.00092 -0.00901 0.00000 0.00000 0.00000 26 4YY -0.00146 0.00117 0.00000 0.00000 0.00000 27 4ZZ -0.00109 -0.00530 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 -0.00002 0.00000 -0.00006 0.00000 33 2PX 0.00000 0.00000 -0.00004 0.00000 0.00000 34 2PY 0.00000 -0.00006 0.00000 -0.00019 0.00000 35 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00002 36 3S 0.00007 -0.00081 0.00000 -0.00121 0.00000 37 3PX 0.00000 0.00000 -0.00162 0.00000 0.00000 38 3PY 0.00010 -0.00055 0.00000 0.00107 0.00000 39 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00080 40 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 41 4YY 0.00000 0.00000 0.00000 0.00001 0.00000 42 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 43 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00000 -0.00009 0.00000 -0.00024 -0.00016 48 2PX 0.00000 -0.00002 -0.00004 -0.00002 -0.00002 49 2PY 0.00000 -0.00030 0.00000 -0.00052 -0.00036 50 2PZ 0.00000 -0.00005 -0.00001 -0.00005 -0.00005 51 3S -0.00001 -0.00108 -0.00004 -0.00519 0.00148 52 3PX 0.00000 -0.00010 -0.00102 0.00000 0.00004 53 3PY 0.00010 -0.00226 -0.00028 -0.00558 0.00101 54 3PZ -0.00009 0.00033 -0.00020 0.00027 0.00049 55 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 56 4YY 0.00000 0.00002 0.00001 0.00006 0.00003 57 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 58 4XY 0.00000 0.00000 0.00002 0.00000 0.00001 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00003 0.00001 0.00008 0.00003 61 5 H 1S 0.00000 -0.00021 -0.00005 0.00000 -0.00066 62 2S 0.00026 -0.00353 -0.00095 0.00000 -0.01002 63 6 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 64 2S 0.00000 0.00013 -0.00001 0.00019 0.00034 65 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 -0.00009 0.00020 0.00001 0.00006 67 2PX 0.00000 0.00003 0.00187 0.00027 0.00077 68 2PY 0.00000 -0.00002 0.00023 -0.00001 0.00006 69 2PZ 0.00000 0.00007 0.00122 0.00012 0.00032 70 3S 0.00014 -0.00004 0.00261 0.00094 -0.00004 71 3PX 0.00009 -0.00126 0.00616 0.00128 0.00484 72 3PY 0.00000 -0.00033 0.00210 0.00017 0.00095 73 3PZ 0.00002 0.00072 0.00580 0.00057 0.00028 74 4XX 0.00000 0.00003 0.00008 0.00002 0.00007 75 4YY 0.00000 0.00000 -0.00001 0.00000 0.00000 76 4ZZ 0.00000 0.00000 -0.00002 0.00000 -0.00001 77 4XY 0.00000 0.00001 0.00002 0.00000 0.00001 78 4XZ 0.00000 0.00003 0.00011 0.00001 0.00003 79 4YZ 0.00000 0.00001 0.00001 0.00000 0.00000 80 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 81 2S 0.00000 0.00000 0.00000 0.00000 0.00000 82 2PX 0.00000 -0.00001 0.00000 0.00000 0.00000 83 2PY 0.00000 0.00000 -0.00001 -0.00001 0.00000 84 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 85 3S 0.00000 -0.00024 -0.00001 -0.00053 0.00006 86 3PX 0.00001 -0.00037 -0.00015 -0.00023 -0.00034 87 3PY -0.00001 -0.00005 0.00030 -0.00029 0.00025 88 3PZ 0.00000 -0.00029 -0.00014 -0.00013 0.00002 89 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 91 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 92 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00002 0.00000 0.00006 0.00000 97 10 H 1S -0.00197 0.03104 0.00168 0.09663 0.00025 98 2S -0.00122 0.01265 0.00087 0.06397 -0.00001 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 -0.00002 -0.00002 -0.00008 -0.00002 101 2PX 0.00000 -0.00002 -0.00001 -0.00002 -0.00002 102 2PY 0.00000 -0.00011 -0.00011 -0.00027 -0.00006 103 2PZ 0.00000 -0.00002 -0.00002 -0.00003 -0.00001 104 3S -0.00001 -0.00053 0.00050 -0.00351 -0.00080 105 3PX 0.00000 -0.00025 0.00003 -0.00004 -0.00033 106 3PY 0.00009 -0.00230 -0.00058 -0.00465 -0.00096 107 3PZ 0.00000 -0.00033 0.00000 -0.00042 0.00003 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00001 0.00001 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00001 0.00000 0.00002 0.00001 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00001 0.00001 0.00001 114 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00008 0.00000 0.00015 0.00016 116 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 117 2S 0.00000 0.00006 0.00021 0.00010 0.00001 118 14 C 1S 0.00000 -0.00020 -0.00048 -0.00024 -0.00060 119 2S -0.00020 0.00515 0.00949 0.00422 0.01170 120 2PX -0.00064 0.01324 0.00745 0.00782 0.02213 121 2PY -0.00019 0.00380 0.00742 -0.00061 0.00603 122 2PZ -0.00062 0.01221 0.01972 0.00706 0.00976 123 3S 0.00028 0.00640 0.00840 0.01039 0.01788 124 3PX -0.00067 0.01063 -0.00107 0.00493 0.01370 125 3PY -0.00022 0.00175 0.00522 0.00043 0.00356 126 3PZ -0.00061 0.01010 0.01285 0.00454 -0.00081 127 4XX -0.00001 0.00020 -0.00058 0.00027 0.00081 128 4YY 0.00000 -0.00018 -0.00015 -0.00006 -0.00016 129 4ZZ -0.00001 0.00030 0.00102 0.00026 -0.00066 130 4XY -0.00003 0.00045 0.00019 0.00003 0.00068 131 4XZ -0.00007 0.00120 0.00038 0.00065 0.00044 132 4YZ -0.00003 0.00043 0.00066 0.00003 0.00025 133 15 H 1S 0.00000 -0.00014 -0.00004 0.00000 -0.00050 134 2S 0.00018 -0.00271 0.00023 -0.00011 -0.00842 135 16 H 1S 0.00000 -0.00018 -0.00038 -0.00001 -0.00009 136 2S 0.00017 -0.00314 -0.00668 -0.00010 -0.00069 137 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00001 0.00005 0.00004 0.00005 139 18 H 1S 0.00000 -0.00002 -0.00004 0.00000 -0.00005 140 2S 0.00003 -0.00061 -0.00176 -0.00001 -0.00193 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 -0.00001 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 -0.00007 -0.00041 0.00000 0.00000 147 3PX 0.00000 -0.00021 -0.00135 -0.00002 -0.00006 148 3PY 0.00000 0.00000 0.00001 -0.00001 0.00000 149 3PZ 0.00000 -0.00002 -0.00019 0.00000 0.00006 150 4XX 0.00000 0.00000 0.00001 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00002 0.00000 0.00000 177 3PX 0.00000 0.00001 0.00001 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00005 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 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 21 22 23 24 25 21 3S 0.29352 22 3PX 0.00000 0.13460 23 3PY 0.00000 0.00000 0.05434 24 3PZ 0.00000 0.00000 0.00000 0.08688 25 4XX -0.00634 0.00000 0.00000 0.00000 0.00127 26 4YY 0.00257 0.00000 0.00000 0.00000 -0.00013 27 4ZZ -0.00501 0.00000 0.00000 0.00000 0.00007 28 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 29 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 31 3 C 1S 0.00007 0.00000 0.00010 0.00000 0.00000 32 2S -0.00081 0.00000 -0.00055 0.00000 0.00000 33 2PX 0.00000 -0.00162 0.00000 0.00000 0.00000 34 2PY -0.00121 0.00000 0.00107 0.00000 0.00000 35 2PZ 0.00000 0.00000 0.00000 -0.00080 0.00000 36 3S -0.00459 0.00000 -0.00156 0.00000 0.00000 37 3PX 0.00000 -0.00866 0.00000 0.00000 0.00000 38 3PY -0.00156 0.00000 0.00452 0.00000 0.00000 39 3PZ 0.00000 0.00000 0.00000 -0.00320 0.00000 40 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 41 4YY 0.00002 0.00000 -0.00003 0.00000 0.00000 42 4ZZ 0.00001 0.00000 -0.00002 0.00000 0.00000 43 4XY 0.00000 -0.00001 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 -0.00004 0.00000 46 4 C 1S 0.00005 0.00000 0.00007 0.00007 0.00000 47 2S -0.00115 -0.00001 -0.00138 -0.00140 0.00000 48 2PX -0.00026 -0.00115 -0.00035 -0.00034 0.00000 49 2PY -0.00152 -0.00027 0.00058 -0.00242 0.00000 50 2PZ -0.00166 -0.00016 -0.00015 -0.00021 0.00000 51 3S -0.00123 -0.00079 -0.00657 0.00329 -0.00007 52 3PX -0.00022 -0.00495 -0.00034 -0.00048 0.00000 53 3PY -0.00338 -0.00136 -0.00205 0.00197 -0.00017 54 3PZ -0.00104 -0.00076 0.00089 -0.00058 -0.00006 55 4XX 0.00003 0.00001 0.00000 -0.00001 0.00000 56 4YY 0.00012 0.00003 0.00017 -0.00003 0.00000 57 4ZZ 0.00003 -0.00003 0.00007 0.00011 0.00000 58 4XY 0.00000 0.00022 -0.00001 0.00006 0.00000 59 4XZ 0.00000 -0.00004 0.00000 0.00000 0.00000 60 4YZ 0.00022 0.00003 0.00021 0.00003 0.00000 61 5 H 1S -0.00370 0.00035 -0.00008 -0.00328 0.00001 62 2S -0.01436 0.00090 -0.00023 -0.01419 0.00032 63 6 H 1S 0.00011 0.00000 0.00005 0.00019 0.00000 64 2S 0.00160 -0.00013 0.00099 0.00242 0.00000 65 7 C 1S 0.00005 0.00000 -0.00001 -0.00008 0.00000 66 2S -0.00009 0.00035 0.00032 0.00091 0.00002 67 2PX -0.00022 0.00670 0.00053 0.00442 0.00007 68 2PY -0.00008 0.00093 0.00001 0.00082 0.00002 69 2PZ 0.00158 0.00586 0.00076 0.00060 0.00005 70 3S 0.00281 0.00466 0.00185 0.00257 0.00019 71 3PX -0.00116 0.00921 0.00120 0.00994 0.00050 72 3PY -0.00008 0.00428 -0.00005 0.00215 0.00013 73 3PZ 0.00366 0.01035 0.00121 -0.00078 0.00022 74 4XX 0.00050 0.00053 0.00019 0.00046 0.00000 75 4YY -0.00008 -0.00013 -0.00002 -0.00009 0.00000 76 4ZZ -0.00023 -0.00020 -0.00011 -0.00011 0.00000 77 4XY -0.00001 0.00005 0.00004 0.00003 0.00000 78 4XZ 0.00008 0.00028 0.00004 0.00003 0.00000 79 4YZ 0.00002 0.00007 0.00000 0.00000 0.00000 80 8 C 1S 0.00000 0.00001 0.00000 0.00000 0.00000 81 2S -0.00003 -0.00021 -0.00001 -0.00009 0.00000 82 2PX 0.00006 -0.00027 0.00037 0.00001 0.00000 83 2PY -0.00004 -0.00041 0.00007 -0.00034 0.00000 84 2PZ -0.00007 -0.00043 0.00017 0.00000 0.00000 85 3S -0.00063 -0.00028 -0.00030 0.00002 0.00000 86 3PX 0.00011 -0.00120 0.00116 -0.00058 0.00001 87 3PY -0.00066 0.00185 -0.00036 0.00013 0.00000 88 3PZ -0.00047 -0.00121 0.00043 -0.00008 0.00003 89 4XX 0.00001 -0.00002 0.00003 0.00000 0.00000 90 4YY 0.00001 0.00001 0.00001 0.00000 0.00000 91 4ZZ 0.00000 0.00001 -0.00002 0.00000 0.00000 92 4XY 0.00000 0.00006 0.00002 0.00004 0.00000 93 4XZ 0.00000 -0.00002 0.00001 0.00000 0.00000 94 4YZ 0.00001 0.00006 0.00001 0.00001 0.00000 95 9 H 1S 0.00000 0.00000 -0.00002 0.00000 0.00000 96 2S 0.00022 0.00003 -0.00012 0.00001 0.00000 97 10 H 1S 0.04211 0.00016 0.04339 0.00025 -0.00100 98 2S 0.02299 -0.00061 0.04211 -0.00009 -0.00193 99 11 C 1S 0.00000 0.00000 0.00004 0.00003 0.00000 100 2S -0.00029 -0.00019 -0.00092 -0.00047 0.00000 101 2PX 0.00030 0.00004 0.00112 -0.00065 0.00000 102 2PY -0.00115 -0.00077 -0.00110 -0.00094 -0.00001 103 2PZ -0.00023 -0.00017 0.00066 0.00002 0.00000 104 3S -0.00131 0.00307 -0.00621 -0.00390 -0.00008 105 3PX 0.00110 0.00056 0.00211 -0.00136 0.00000 106 3PY -0.00452 -0.00001 -0.00398 -0.00237 -0.00013 107 3PZ -0.00082 -0.00002 0.00054 0.00059 -0.00002 108 4XX -0.00002 0.00010 0.00000 -0.00002 0.00000 109 4YY 0.00002 -0.00010 0.00004 0.00003 0.00000 110 4ZZ 0.00001 -0.00008 -0.00003 0.00003 0.00000 111 4XY 0.00001 0.00000 0.00000 0.00006 0.00000 112 4XZ -0.00001 0.00000 0.00002 0.00000 0.00000 113 4YZ 0.00004 0.00005 0.00002 0.00000 0.00000 114 12 H 1S 0.00005 0.00000 -0.00004 0.00007 0.00000 115 2S 0.00050 -0.00026 -0.00014 0.00109 0.00001 116 13 H 1S -0.00003 0.00020 -0.00011 0.00004 0.00000 117 2S -0.00016 0.00182 -0.00020 0.00028 0.00000 118 14 C 1S 0.00005 -0.00012 -0.00021 -0.00038 -0.00002 119 2S 0.00398 0.00415 0.00297 0.00604 0.00042 120 2PX 0.01012 -0.00083 0.00089 0.01048 -0.00061 121 2PY 0.00280 0.00414 -0.00148 0.00316 0.00035 122 2PZ 0.01394 0.00690 0.00184 -0.00057 0.00093 123 3S -0.00481 -0.00513 0.00622 0.01216 0.00131 124 3PX 0.00531 -0.00501 0.00062 0.00828 -0.00060 125 3PY 0.00027 0.00442 -0.00069 0.00153 0.00037 126 3PZ 0.00943 0.00660 0.00083 -0.00343 0.00097 127 4XX 0.00088 -0.00132 0.00038 0.00124 0.00005 128 4YY -0.00033 0.00012 -0.00035 -0.00033 -0.00003 129 4ZZ -0.00007 0.00173 0.00001 -0.00087 -0.00010 130 4XY 0.00016 0.00000 0.00014 0.00018 -0.00003 131 4XZ 0.00057 0.00000 0.00006 0.00000 -0.00003 132 4YZ 0.00022 0.00015 0.00011 0.00000 0.00001 133 15 H 1S -0.00280 0.00059 0.00001 -0.00303 -0.00001 134 2S -0.01128 0.00426 -0.00019 -0.01434 -0.00034 135 16 H 1S -0.00075 -0.00497 0.00025 -0.00047 0.00013 136 2S -0.00116 -0.01771 0.00063 0.00030 0.00093 137 17 H 1S 0.00001 0.00004 -0.00001 0.00002 0.00000 138 2S 0.00013 0.00076 -0.00011 0.00058 0.00000 139 18 H 1S -0.00085 -0.00135 -0.00001 -0.00053 0.00000 140 2S -0.00506 -0.00782 -0.00004 -0.00547 -0.00003 141 19 O 1S 0.00000 0.00001 0.00000 0.00000 0.00000 142 2S 0.00003 -0.00020 0.00002 -0.00005 0.00000 143 2PX -0.00041 -0.00134 -0.00007 -0.00013 0.00000 144 2PY -0.00001 0.00003 -0.00003 0.00000 0.00000 145 2PZ -0.00010 -0.00016 -0.00002 0.00014 0.00000 146 3S -0.00081 -0.00262 0.00001 -0.00035 0.00000 147 3PX -0.00356 -0.00697 -0.00044 -0.00072 0.00005 148 3PY -0.00006 0.00021 -0.00023 -0.00002 0.00000 149 3PZ -0.00072 -0.00104 -0.00009 0.00126 0.00001 150 4XX 0.00001 0.00023 0.00000 0.00002 0.00000 151 4YY 0.00002 -0.00004 0.00000 0.00000 0.00000 152 4ZZ 0.00002 -0.00002 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00001 -0.00001 0.00000 0.00000 154 4XZ 0.00000 0.00002 0.00000 -0.00001 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00001 -0.00001 0.00000 0.00000 158 2PX 0.00000 0.00001 -0.00002 0.00000 0.00000 159 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S -0.00003 0.00012 -0.00004 0.00000 0.00000 162 3PX -0.00007 0.00007 -0.00023 0.00000 0.00000 163 3PY -0.00004 0.00013 0.00002 0.00002 0.00000 164 3PZ 0.00000 0.00001 -0.00002 0.00001 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00001 0.00000 0.00000 0.00000 173 2PX 0.00001 0.00002 0.00000 0.00000 0.00000 174 2PY 0.00001 0.00003 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00004 0.00019 0.00001 0.00001 0.00000 177 3PX 0.00000 0.00011 -0.00007 0.00000 0.00000 178 3PY 0.00003 0.00052 0.00000 0.00001 0.00000 179 3PZ 0.00000 -0.00001 0.00000 0.00006 0.00000 180 4XX 0.00000 -0.00001 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 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 0.00009 0.00008 0.00007 -0.00002 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S -0.00003 -0.00004 -0.00002 -0.00001 0.00000 26 27 28 29 30 26 4YY 0.00185 27 4ZZ -0.00028 0.00134 28 4XY 0.00000 0.00000 0.00038 29 4XZ 0.00000 0.00000 0.00000 0.00090 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00071 31 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 32 2S 0.00000 0.00000 0.00000 0.00000 0.00000 33 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 34 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 35 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 36 3S 0.00002 0.00001 0.00000 0.00000 0.00000 37 3PX 0.00000 0.00000 -0.00001 0.00000 0.00000 38 3PY -0.00003 -0.00002 0.00000 0.00000 0.00000 39 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00004 40 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 41 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 42 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 43 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00003 -0.00001 0.00000 0.00000 0.00001 48 2PX 0.00000 0.00000 0.00001 0.00001 0.00000 49 2PY 0.00014 -0.00002 0.00000 0.00000 0.00009 50 2PZ 0.00001 0.00000 0.00000 0.00000 0.00000 51 3S 0.00044 -0.00011 0.00000 -0.00002 0.00013 52 3PX -0.00002 0.00003 0.00005 0.00010 0.00000 53 3PY 0.00071 -0.00016 0.00000 -0.00001 0.00016 54 3PZ 0.00000 0.00000 0.00001 0.00000 0.00002 55 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 56 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 57 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 H 1S -0.00001 0.00009 0.00000 0.00003 -0.00001 62 2S -0.00036 0.00050 0.00000 0.00013 -0.00003 63 6 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 64 2S -0.00002 0.00001 0.00000 0.00000 0.00000 65 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 0.00000 0.00000 0.00003 0.00000 67 2PX -0.00001 0.00001 0.00002 0.00011 0.00001 68 2PY 0.00000 0.00000 0.00000 0.00002 0.00000 69 2PZ 0.00000 0.00000 0.00001 0.00002 0.00001 70 3S -0.00014 0.00001 0.00002 0.00013 0.00000 71 3PX -0.00024 0.00010 0.00004 0.00025 0.00006 72 3PY 0.00000 -0.00004 0.00000 0.00005 -0.00001 73 3PZ -0.00005 -0.00002 0.00004 0.00003 0.00000 74 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 76 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 81 2S 0.00000 0.00000 0.00000 0.00000 0.00000 82 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 83 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 84 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 85 3S 0.00002 0.00000 0.00000 0.00001 0.00001 86 3PX -0.00002 0.00004 0.00001 0.00005 0.00001 87 3PY 0.00003 -0.00003 0.00000 -0.00003 0.00000 88 3PZ -0.00001 0.00001 0.00001 0.00001 0.00000 89 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 91 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 92 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00000 0.00000 0.00000 0.00000 97 10 H 1S 0.00749 -0.00121 0.00018 0.00001 0.00002 98 2S 0.00678 -0.00286 0.00003 0.00000 0.00001 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00001 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00005 -0.00001 0.00003 -0.00001 0.00002 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00027 -0.00006 0.00004 0.00000 0.00003 105 3PX -0.00001 -0.00001 0.00000 0.00000 0.00001 106 3PY 0.00057 -0.00012 0.00010 -0.00006 0.00008 107 3PZ 0.00002 0.00001 0.00001 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S -0.00002 0.00000 0.00000 0.00000 0.00000 116 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 117 2S -0.00002 0.00001 -0.00001 0.00000 0.00000 118 14 C 1S 0.00001 -0.00001 -0.00002 -0.00007 -0.00003 119 2S -0.00028 0.00022 0.00037 0.00108 0.00043 120 2PX -0.00027 0.00060 0.00020 0.00032 0.00066 121 2PY -0.00006 0.00030 0.00004 0.00059 0.00003 122 2PZ -0.00028 -0.00077 0.00058 0.00036 0.00028 123 3S -0.00156 0.00064 0.00018 0.00073 0.00027 124 3PX -0.00062 0.00079 0.00000 0.00000 0.00019 125 3PY -0.00036 0.00021 0.00009 0.00017 0.00005 126 3PZ -0.00059 -0.00074 0.00014 0.00000 0.00000 127 4XX -0.00002 -0.00009 -0.00001 0.00003 -0.00001 128 4YY 0.00002 -0.00003 0.00000 -0.00004 0.00000 129 4ZZ -0.00004 0.00005 -0.00002 -0.00001 -0.00002 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ -0.00002 -0.00002 0.00002 0.00002 0.00001 132 4YZ 0.00000 -0.00003 0.00000 0.00000 0.00000 133 15 H 1S 0.00000 0.00011 0.00000 0.00002 0.00000 134 2S -0.00014 0.00103 -0.00001 -0.00005 -0.00003 135 16 H 1S 0.00000 -0.00001 0.00000 0.00003 0.00000 136 2S -0.00012 -0.00025 -0.00002 0.00001 -0.00001 137 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.00000 0.00000 0.00000 0.00001 0.00000 140 2S -0.00001 0.00011 0.00000 0.00006 0.00000 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 148 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00000 0.00000 0.00000 177 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 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 2.05494 32 2S -0.01338 0.32600 33 2PX 0.00000 0.00000 0.34895 34 2PY 0.00000 0.00000 0.00000 0.41139 35 2PZ 0.00000 0.00000 0.00000 0.00000 0.39185 36 3S -0.03626 0.23450 0.00000 0.00000 0.00000 37 3PX 0.00000 0.00000 0.11484 0.00000 0.00000 38 3PY 0.00000 0.00000 0.00000 0.07562 0.00000 39 3PZ 0.00000 0.00000 0.00000 0.00000 0.09432 40 4XX -0.00092 -0.00901 0.00000 0.00000 0.00000 41 4YY -0.00146 0.00117 0.00000 0.00000 0.00000 42 4ZZ -0.00109 -0.00530 0.00000 0.00000 0.00000 43 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S 0.00000 -0.00055 -0.00010 -0.00069 -0.00217 47 2S -0.00060 0.01175 0.00158 0.00980 0.03226 48 2PX -0.00008 0.00109 0.01558 -0.00035 0.01189 49 2PY -0.00064 0.00958 0.00035 -0.00036 0.02711 50 2PZ -0.00230 0.03309 0.00938 0.02654 0.03730 51 3S 0.00057 0.00549 0.00072 0.01081 0.01332 52 3PX 0.00019 -0.00087 0.02581 -0.00098 0.00536 53 3PY -0.00040 0.00362 -0.00025 0.00130 0.01498 54 3PZ -0.00061 0.01568 0.00447 0.00875 0.00074 55 4XX 0.00001 -0.00036 0.00004 -0.00019 -0.00062 56 4YY 0.00001 -0.00045 -0.00002 -0.00027 -0.00070 57 4ZZ -0.00012 0.00170 0.00041 0.00200 -0.00077 58 4XY -0.00001 0.00010 0.00035 0.00000 0.00029 59 4XZ -0.00002 0.00017 0.00110 0.00021 0.00021 60 4YZ -0.00014 0.00145 0.00028 -0.00003 0.00176 61 5 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 0.00013 -0.00001 0.00019 0.00034 63 6 H 1S 0.00000 -0.00021 -0.00005 0.00000 -0.00066 64 2S 0.00026 -0.00353 -0.00095 0.00000 -0.01002 65 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 0.00000 0.00000 0.00000 0.00000 67 2PX 0.00000 -0.00001 0.00000 0.00000 0.00000 68 2PY 0.00000 0.00000 -0.00001 -0.00001 0.00000 69 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 70 3S 0.00000 -0.00024 -0.00001 -0.00053 0.00006 71 3PX 0.00001 -0.00037 -0.00015 -0.00023 -0.00034 72 3PY -0.00001 -0.00005 0.00030 -0.00029 0.00026 73 3PZ 0.00000 -0.00029 -0.00014 -0.00013 0.00002 74 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 76 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 81 2S 0.00000 -0.00009 0.00020 0.00001 0.00006 82 2PX 0.00000 0.00003 0.00187 0.00027 0.00077 83 2PY 0.00000 -0.00002 0.00023 -0.00001 0.00006 84 2PZ 0.00000 0.00007 0.00123 0.00012 0.00032 85 3S 0.00014 -0.00004 0.00261 0.00095 -0.00004 86 3PX 0.00009 -0.00126 0.00616 0.00128 0.00484 87 3PY 0.00000 -0.00033 0.00210 0.00017 0.00095 88 3PZ 0.00002 0.00072 0.00580 0.00057 0.00028 89 4XX 0.00000 0.00003 0.00008 0.00002 0.00007 90 4YY 0.00000 0.00000 -0.00001 0.00000 0.00000 91 4ZZ 0.00000 0.00000 -0.00002 0.00000 -0.00001 92 4XY 0.00000 0.00001 0.00002 0.00000 0.00001 93 4XZ 0.00000 0.00003 0.00011 0.00001 0.00003 94 4YZ 0.00000 0.00001 0.00001 0.00000 0.00000 95 9 H 1S -0.00197 0.03104 0.00169 0.09662 0.00025 96 2S -0.00122 0.01265 0.00088 0.06397 -0.00001 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 0.00002 0.00000 0.00006 0.00000 99 11 C 1S 0.00000 -0.00020 -0.00048 -0.00024 -0.00060 100 2S -0.00020 0.00515 0.00949 0.00422 0.01171 101 2PX -0.00064 0.01324 0.00745 0.00781 0.02214 102 2PY -0.00019 0.00379 0.00741 -0.00061 0.00603 103 2PZ -0.00062 0.01221 0.01973 0.00705 0.00977 104 3S 0.00028 0.00640 0.00841 0.01038 0.01788 105 3PX -0.00067 0.01063 -0.00107 0.00493 0.01371 106 3PY -0.00022 0.00174 0.00521 0.00043 0.00355 107 3PZ -0.00061 0.01010 0.01286 0.00454 -0.00081 108 4XX -0.00001 0.00020 -0.00058 0.00027 0.00081 109 4YY 0.00000 -0.00018 -0.00015 -0.00006 -0.00016 110 4ZZ -0.00001 0.00030 0.00102 0.00026 -0.00066 111 4XY -0.00003 0.00045 0.00019 0.00003 0.00068 112 4XZ -0.00007 0.00120 0.00038 0.00065 0.00044 113 4YZ -0.00003 0.00043 0.00066 0.00003 0.00025 114 12 H 1S 0.00000 -0.00014 -0.00004 0.00000 -0.00050 115 2S 0.00018 -0.00271 0.00023 -0.00011 -0.00843 116 13 H 1S 0.00000 -0.00018 -0.00038 -0.00001 -0.00009 117 2S 0.00017 -0.00314 -0.00668 -0.00010 -0.00069 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 -0.00002 -0.00002 -0.00008 -0.00002 120 2PX 0.00000 -0.00002 -0.00001 -0.00002 -0.00002 121 2PY 0.00000 -0.00011 -0.00011 -0.00027 -0.00006 122 2PZ 0.00000 -0.00002 -0.00002 -0.00003 -0.00001 123 3S -0.00001 -0.00053 0.00050 -0.00351 -0.00080 124 3PX 0.00000 -0.00025 0.00003 -0.00004 -0.00033 125 3PY 0.00009 -0.00230 -0.00058 -0.00465 -0.00096 126 3PZ 0.00000 -0.00033 0.00000 -0.00042 0.00003 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00001 0.00001 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00001 0.00000 0.00002 0.00001 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00001 0.00001 0.00001 133 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00008 0.00000 0.00015 0.00016 135 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 136 2S 0.00000 0.00006 0.00021 0.00010 0.00001 137 17 H 1S 0.00000 -0.00002 -0.00004 0.00000 -0.00005 138 2S 0.00003 -0.00061 -0.00176 -0.00001 -0.00194 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00000 0.00001 0.00005 0.00004 0.00005 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 148 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 -0.00001 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 -0.00007 -0.00041 0.00000 0.00000 162 3PX 0.00000 -0.00022 -0.00135 -0.00002 -0.00006 163 3PY 0.00000 0.00000 0.00001 -0.00001 0.00000 164 3PZ 0.00000 -0.00002 -0.00019 0.00000 0.00006 165 4XX 0.00000 0.00000 0.00001 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00002 0.00000 0.00000 177 3PX 0.00000 0.00001 0.00001 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00005 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 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 0.29356 37 3PX 0.00000 0.13458 38 3PY 0.00000 0.00000 0.05436 39 3PZ 0.00000 0.00000 0.00000 0.08688 40 4XX -0.00634 0.00000 0.00000 0.00000 0.00127 41 4YY 0.00257 0.00000 0.00000 0.00000 -0.00013 42 4ZZ -0.00501 0.00000 0.00000 0.00000 0.00007 43 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S -0.00073 0.00003 -0.00067 -0.00155 0.00001 47 2S 0.01369 -0.00012 0.00769 0.01811 -0.00053 48 2PX 0.00012 0.02858 -0.00075 0.00651 0.00006 49 2PY 0.00627 -0.00001 -0.00083 0.01221 -0.00020 50 2PZ 0.03439 0.00427 0.01066 0.00354 -0.00091 51 3S -0.01157 0.00067 0.00480 0.00210 -0.00040 52 3PX -0.00246 0.04680 -0.00117 0.00505 -0.00018 53 3PY 0.00205 -0.00111 0.00079 0.01102 -0.00046 54 3PZ 0.01607 0.00456 0.00413 0.00065 -0.00021 55 4XX -0.00084 -0.00011 -0.00027 -0.00018 0.00002 56 4YY -0.00065 -0.00014 -0.00054 -0.00048 -0.00001 57 4ZZ 0.00204 0.00051 0.00077 -0.00084 0.00001 58 4XY 0.00005 0.00034 0.00000 0.00009 0.00000 59 4XZ 0.00000 0.00069 0.00000 0.00003 0.00000 60 4YZ 0.00074 0.00003 0.00005 0.00010 -0.00005 61 5 H 1S 0.00011 0.00000 0.00005 0.00019 0.00000 62 2S 0.00160 -0.00013 0.00099 0.00242 0.00000 63 6 H 1S -0.00370 0.00035 -0.00008 -0.00328 0.00001 64 2S -0.01436 0.00090 -0.00023 -0.01419 0.00032 65 7 C 1S 0.00000 0.00001 0.00000 0.00000 0.00000 66 2S -0.00003 -0.00021 -0.00001 -0.00009 0.00000 67 2PX 0.00006 -0.00027 0.00037 0.00001 0.00000 68 2PY -0.00004 -0.00041 0.00007 -0.00034 0.00000 69 2PZ -0.00007 -0.00043 0.00017 0.00000 0.00000 70 3S -0.00063 -0.00028 -0.00030 0.00002 0.00000 71 3PX 0.00011 -0.00120 0.00116 -0.00058 0.00001 72 3PY -0.00066 0.00185 -0.00036 0.00013 0.00000 73 3PZ -0.00048 -0.00121 0.00043 -0.00007 0.00003 74 4XX 0.00001 -0.00002 0.00003 0.00000 0.00000 75 4YY 0.00001 0.00001 0.00001 0.00000 0.00000 76 4ZZ 0.00000 0.00001 -0.00002 0.00000 0.00000 77 4XY 0.00000 0.00006 0.00002 0.00004 0.00000 78 4XZ 0.00000 -0.00002 0.00001 0.00000 0.00000 79 4YZ 0.00001 0.00006 0.00001 0.00001 0.00000 80 8 C 1S 0.00005 0.00000 -0.00001 -0.00008 0.00000 81 2S -0.00009 0.00035 0.00032 0.00091 0.00002 82 2PX -0.00022 0.00670 0.00053 0.00443 0.00007 83 2PY -0.00008 0.00092 0.00001 0.00082 0.00002 84 2PZ 0.00158 0.00586 0.00076 0.00060 0.00005 85 3S 0.00281 0.00466 0.00185 0.00257 0.00019 86 3PX -0.00116 0.00920 0.00120 0.00994 0.00050 87 3PY -0.00008 0.00427 -0.00005 0.00215 0.00013 88 3PZ 0.00367 0.01035 0.00121 -0.00078 0.00022 89 4XX 0.00050 0.00053 0.00019 0.00046 0.00000 90 4YY -0.00008 -0.00013 -0.00002 -0.00009 0.00000 91 4ZZ -0.00023 -0.00020 -0.00011 -0.00011 0.00000 92 4XY -0.00001 0.00005 0.00004 0.00003 0.00000 93 4XZ 0.00008 0.00028 0.00004 0.00003 0.00000 94 4YZ 0.00002 0.00007 0.00000 0.00000 0.00000 95 9 H 1S 0.04211 0.00016 0.04339 0.00025 -0.00100 96 2S 0.02299 -0.00061 0.04211 -0.00009 -0.00193 97 10 H 1S 0.00000 0.00000 -0.00002 0.00000 0.00000 98 2S 0.00022 0.00003 -0.00012 0.00001 0.00000 99 11 C 1S 0.00005 -0.00012 -0.00021 -0.00038 -0.00002 100 2S 0.00399 0.00415 0.00297 0.00604 0.00042 101 2PX 0.01012 -0.00083 0.00089 0.01048 -0.00061 102 2PY 0.00280 0.00414 -0.00148 0.00316 0.00035 103 2PZ 0.01394 0.00690 0.00184 -0.00057 0.00093 104 3S -0.00481 -0.00513 0.00621 0.01217 0.00131 105 3PX 0.00531 -0.00501 0.00062 0.00828 -0.00060 106 3PY 0.00027 0.00441 -0.00069 0.00153 0.00037 107 3PZ 0.00943 0.00661 0.00083 -0.00343 0.00097 108 4XX 0.00088 -0.00132 0.00038 0.00124 0.00005 109 4YY -0.00034 0.00012 -0.00035 -0.00033 -0.00003 110 4ZZ -0.00007 0.00173 0.00001 -0.00087 -0.00010 111 4XY 0.00016 0.00000 0.00014 0.00018 -0.00003 112 4XZ 0.00057 0.00000 0.00006 0.00000 -0.00003 113 4YZ 0.00022 0.00015 0.00011 0.00000 0.00001 114 12 H 1S -0.00280 0.00059 0.00001 -0.00303 -0.00001 115 2S -0.01128 0.00426 -0.00019 -0.01434 -0.00034 116 13 H 1S -0.00075 -0.00496 0.00025 -0.00047 0.00013 117 2S -0.00116 -0.01771 0.00063 0.00030 0.00093 118 14 C 1S 0.00000 0.00000 0.00004 0.00003 0.00000 119 2S -0.00029 -0.00019 -0.00092 -0.00047 0.00000 120 2PX 0.00030 0.00004 0.00112 -0.00065 0.00000 121 2PY -0.00115 -0.00077 -0.00109 -0.00094 -0.00001 122 2PZ -0.00023 -0.00017 0.00066 0.00002 0.00000 123 3S -0.00131 0.00307 -0.00620 -0.00390 -0.00008 124 3PX 0.00110 0.00056 0.00211 -0.00137 0.00000 125 3PY -0.00452 -0.00001 -0.00397 -0.00237 -0.00013 126 3PZ -0.00082 -0.00001 0.00054 0.00059 -0.00002 127 4XX -0.00002 0.00010 0.00000 -0.00002 0.00000 128 4YY 0.00002 -0.00010 0.00004 0.00003 0.00000 129 4ZZ 0.00001 -0.00008 -0.00003 0.00003 0.00000 130 4XY 0.00001 0.00000 0.00000 0.00006 0.00000 131 4XZ -0.00001 0.00000 0.00002 0.00000 0.00000 132 4YZ 0.00004 0.00005 0.00002 0.00000 0.00000 133 15 H 1S 0.00005 0.00000 -0.00004 0.00007 0.00000 134 2S 0.00050 -0.00026 -0.00014 0.00109 0.00001 135 16 H 1S -0.00003 0.00020 -0.00011 0.00004 0.00000 136 2S -0.00016 0.00182 -0.00020 0.00028 0.00000 137 17 H 1S -0.00085 -0.00135 -0.00001 -0.00053 0.00000 138 2S -0.00506 -0.00782 -0.00004 -0.00548 -0.00003 139 18 H 1S 0.00001 0.00004 -0.00001 0.00002 0.00000 140 2S 0.00013 0.00076 -0.00011 0.00058 0.00000 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00001 -0.00001 0.00000 0.00000 143 2PX 0.00000 0.00001 -0.00002 0.00000 0.00000 144 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S -0.00003 0.00012 -0.00004 0.00000 0.00000 147 3PX -0.00007 0.00007 -0.00023 0.00000 0.00000 148 3PY -0.00004 0.00013 0.00002 0.00002 0.00000 149 3PZ 0.00000 0.00001 -0.00002 0.00001 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00001 0.00000 0.00000 0.00000 157 2S 0.00003 -0.00020 0.00002 -0.00005 0.00000 158 2PX -0.00041 -0.00134 -0.00007 -0.00013 0.00000 159 2PY -0.00001 0.00003 -0.00003 0.00000 0.00000 160 2PZ -0.00010 -0.00016 -0.00002 0.00014 0.00000 161 3S -0.00081 -0.00262 0.00001 -0.00035 0.00000 162 3PX -0.00356 -0.00698 -0.00044 -0.00073 0.00005 163 3PY -0.00006 0.00021 -0.00023 -0.00002 0.00000 164 3PZ -0.00072 -0.00104 -0.00009 0.00126 0.00001 165 4XX 0.00001 0.00023 0.00000 0.00002 0.00000 166 4YY 0.00002 -0.00004 0.00000 0.00000 0.00000 167 4ZZ 0.00002 -0.00002 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00001 -0.00001 0.00000 0.00000 169 4XZ 0.00000 0.00002 0.00000 -0.00001 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00001 0.00000 0.00000 0.00000 173 2PX 0.00001 0.00002 0.00000 0.00000 0.00000 174 2PY 0.00001 0.00003 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00004 0.00019 0.00001 0.00001 0.00000 177 3PX 0.00000 0.00011 -0.00007 0.00000 0.00000 178 3PY 0.00003 0.00052 0.00000 0.00001 0.00000 179 3PZ 0.00000 -0.00001 0.00000 0.00006 0.00000 180 4XX 0.00000 -0.00001 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 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 0.00009 0.00008 0.00007 -0.00002 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S -0.00003 -0.00004 -0.00002 -0.00001 0.00000 41 42 43 44 45 41 4YY 0.00185 42 4ZZ -0.00028 0.00134 43 4XY 0.00000 0.00000 0.00038 44 4XZ 0.00000 0.00000 0.00000 0.00090 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00071 46 4 C 1S 0.00002 -0.00014 -0.00001 -0.00002 -0.00013 47 2S -0.00045 0.00189 0.00009 0.00017 0.00141 48 2PX -0.00001 0.00050 0.00029 0.00134 0.00027 49 2PY -0.00025 0.00199 0.00000 0.00012 -0.00004 50 2PZ -0.00035 -0.00092 0.00026 0.00019 0.00193 51 3S -0.00145 0.00253 0.00003 0.00004 0.00037 52 3PX -0.00002 0.00048 0.00021 0.00103 0.00002 53 3PY -0.00041 0.00106 -0.00001 -0.00002 -0.00001 54 3PZ -0.00028 -0.00076 0.00004 0.00003 0.00005 55 4XX 0.00000 -0.00002 0.00000 0.00000 -0.00004 56 4YY 0.00004 -0.00012 0.00000 -0.00002 0.00000 57 4ZZ -0.00017 0.00004 0.00000 0.00004 -0.00008 58 4XY 0.00000 -0.00002 0.00000 -0.00001 0.00000 59 4XZ -0.00004 0.00005 0.00002 -0.00003 -0.00001 60 4YZ 0.00001 -0.00009 0.00000 -0.00003 0.00002 61 5 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S -0.00002 0.00001 0.00000 0.00000 0.00000 63 6 H 1S -0.00001 0.00009 0.00000 0.00003 -0.00001 64 2S -0.00036 0.00050 0.00000 0.00013 -0.00004 65 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 0.00000 0.00000 0.00000 0.00000 67 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 68 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 69 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 70 3S 0.00002 0.00000 0.00000 0.00001 0.00001 71 3PX -0.00002 0.00004 0.00001 0.00005 0.00001 72 3PY 0.00003 -0.00003 0.00000 -0.00003 0.00000 73 3PZ -0.00001 0.00001 0.00001 0.00001 0.00000 74 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 76 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 81 2S 0.00000 0.00000 0.00000 0.00003 0.00000 82 2PX -0.00001 0.00001 0.00002 0.00011 0.00001 83 2PY 0.00000 0.00000 0.00000 0.00002 0.00000 84 2PZ 0.00000 0.00000 0.00001 0.00002 0.00001 85 3S -0.00014 0.00001 0.00002 0.00013 0.00000 86 3PX -0.00024 0.00010 0.00004 0.00025 0.00006 87 3PY 0.00000 -0.00004 0.00000 0.00005 -0.00001 88 3PZ -0.00005 -0.00002 0.00004 0.00003 0.00000 89 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 91 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 92 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 9 H 1S 0.00749 -0.00121 0.00018 0.00001 0.00002 96 2S 0.00678 -0.00286 0.00003 0.00000 0.00001 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00001 -0.00001 -0.00002 -0.00007 -0.00003 100 2S -0.00028 0.00022 0.00037 0.00108 0.00043 101 2PX -0.00027 0.00060 0.00020 0.00032 0.00066 102 2PY -0.00006 0.00030 0.00004 0.00059 0.00003 103 2PZ -0.00028 -0.00077 0.00058 0.00036 0.00028 104 3S -0.00156 0.00064 0.00018 0.00073 0.00027 105 3PX -0.00062 0.00079 0.00000 0.00000 0.00019 106 3PY -0.00036 0.00021 0.00009 0.00017 0.00005 107 3PZ -0.00059 -0.00074 0.00014 0.00000 0.00000 108 4XX -0.00002 -0.00009 -0.00001 0.00003 -0.00001 109 4YY 0.00002 -0.00003 0.00000 -0.00004 0.00000 110 4ZZ -0.00004 0.00005 -0.00002 -0.00001 -0.00002 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ -0.00002 -0.00002 0.00002 0.00002 0.00001 113 4YZ 0.00000 -0.00003 0.00000 0.00000 0.00000 114 12 H 1S 0.00000 0.00011 0.00000 0.00002 0.00000 115 2S -0.00014 0.00103 -0.00001 -0.00005 -0.00003 116 13 H 1S 0.00000 -0.00001 0.00000 0.00003 0.00000 117 2S -0.00012 -0.00025 -0.00002 0.00001 -0.00001 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00001 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00005 -0.00001 0.00003 -0.00001 0.00002 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00027 -0.00006 0.00004 0.00000 0.00003 124 3PX -0.00001 -0.00001 0.00000 0.00000 0.00001 125 3PY 0.00057 -0.00012 0.00010 -0.00006 0.00008 126 3PZ 0.00002 0.00001 0.00001 0.00000 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S -0.00002 0.00000 0.00000 0.00000 0.00000 135 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 136 2S -0.00002 0.00001 -0.00001 0.00000 0.00000 137 17 H 1S 0.00000 0.00000 0.00000 0.00001 0.00000 138 2S -0.00001 0.00011 0.00000 0.00006 0.00000 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00000 0.00000 0.00000 0.00000 0.00000 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 148 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00000 0.00000 0.00000 177 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 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 C 1S 2.05282 47 2S -0.01370 0.32755 48 2PX 0.00000 0.00000 0.35515 49 2PY 0.00000 0.00000 0.00000 0.41443 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.40212 51 3S -0.02917 0.19680 0.00000 0.00000 0.00000 52 3PX 0.00000 0.00000 0.12497 0.00000 0.00000 53 3PY 0.00000 0.00000 0.00000 0.07776 0.00000 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.06992 55 4XX -0.00098 -0.00926 0.00000 0.00000 0.00000 56 4YY -0.00134 -0.00220 0.00000 0.00000 0.00000 57 4ZZ -0.00141 -0.00118 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 -0.00017 -0.00001 -0.00057 -0.00013 62 2S 0.00019 -0.00255 -0.00037 -0.00816 -0.00201 63 6 H 1S -0.00201 0.03151 0.01630 0.02419 0.05812 64 2S -0.00121 0.01248 0.01123 0.01526 0.03819 65 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 0.00000 0.00000 0.00000 0.00000 67 2PX 0.00000 0.00000 -0.00001 0.00000 -0.00001 68 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 69 2PZ 0.00000 0.00000 -0.00002 0.00000 -0.00001 70 3S 0.00000 -0.00015 -0.00017 -0.00004 -0.00040 71 3PX 0.00000 0.00000 -0.00053 -0.00022 -0.00056 72 3PY 0.00000 -0.00010 0.00037 0.00003 0.00002 73 3PZ 0.00000 -0.00019 -0.00080 -0.00008 -0.00077 74 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 76 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 81 2S 0.00000 0.00000 -0.00001 0.00000 -0.00002 82 2PX 0.00000 -0.00001 -0.00002 0.00000 -0.00004 83 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 84 2PZ 0.00000 -0.00002 0.00000 0.00000 -0.00004 85 3S 0.00001 0.00008 -0.00034 0.00000 0.00017 86 3PX 0.00002 -0.00065 -0.00035 0.00000 -0.00158 87 3PY 0.00000 0.00000 0.00000 -0.00004 -0.00001 88 3PZ 0.00004 -0.00032 -0.00045 0.00000 0.00009 89 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 91 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 92 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XZ 0.00000 0.00000 0.00001 0.00000 0.00001 94 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 9 H 1S 0.00000 -0.00019 0.00000 -0.00048 -0.00026 96 2S 0.00019 -0.00279 0.00008 -0.00661 -0.00295 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 0.00013 0.00000 0.00052 0.00003 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 -0.00004 -0.00006 0.00000 -0.00014 101 2PX 0.00000 -0.00006 0.00004 0.00000 -0.00026 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 -0.00018 -0.00015 0.00000 -0.00039 104 3S 0.00004 -0.00071 -0.00205 0.00001 -0.00159 105 3PX 0.00004 -0.00086 0.00011 0.00003 -0.00298 106 3PY 0.00000 0.00003 0.00004 0.00013 0.00007 107 3PZ 0.00012 -0.00201 -0.00037 -0.00001 -0.00290 108 4XX 0.00000 0.00000 -0.00001 0.00000 0.00001 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00002 0.00006 0.00000 0.00004 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00003 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00014 0.00018 0.00002 0.00021 116 13 H 1S 0.00000 0.00000 -0.00001 0.00000 0.00000 117 2S 0.00000 -0.00004 -0.00059 0.00000 0.00019 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 -0.00001 0.00000 121 2PY 0.00000 0.00000 0.00001 0.00001 -0.00002 122 2PZ 0.00000 -0.00001 -0.00001 -0.00002 0.00000 123 3S 0.00002 -0.00042 -0.00012 -0.00033 -0.00038 124 3PX 0.00001 -0.00016 -0.00001 -0.00039 0.00004 125 3PY 0.00001 -0.00023 0.00041 0.00008 -0.00088 126 3PZ 0.00001 -0.00023 0.00000 -0.00044 -0.00001 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 135 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 136 2S 0.00000 0.00001 0.00010 -0.00001 -0.00002 137 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00003 -0.00008 0.00000 0.00002 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00000 0.00000 0.00002 0.00001 0.00001 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3PX 0.00000 0.00000 0.00003 0.00000 0.00001 148 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 149 3PZ 0.00000 0.00000 0.00003 0.00000 0.00001 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 -0.00002 -0.00015 0.00000 -0.00006 162 3PX 0.00000 -0.00007 -0.00015 0.00000 -0.00006 163 3PY 0.00000 0.00000 -0.00004 0.00000 -0.00001 164 3PZ 0.00000 -0.00004 -0.00005 -0.00001 0.00002 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 -0.00002 0.00000 0.00000 177 3PX 0.00000 0.00000 0.00023 0.00000 0.00003 178 3PY 0.00000 0.00000 0.00003 0.00000 0.00000 179 3PZ 0.00000 0.00000 -0.00002 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 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 0.00004 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 0.23666 52 3PX 0.00000 0.14682 53 3PY 0.00000 0.00000 0.05806 54 3PZ 0.00000 0.00000 0.00000 0.05819 55 4XX -0.00540 0.00000 0.00000 0.00000 0.00073 56 4YY -0.00177 0.00000 0.00000 0.00000 0.00004 57 4ZZ 0.00011 0.00000 0.00000 0.00000 0.00008 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 -0.00414 0.00006 -0.00333 0.00017 0.00000 62 2S -0.01645 -0.00017 -0.01333 0.00033 0.00010 63 6 H 1S 0.04222 0.00788 0.00985 0.02404 -0.00036 64 2S 0.03625 0.00865 0.00742 0.01857 0.00032 65 7 C 1S 0.00000 0.00001 0.00000 0.00001 0.00000 66 2S 0.00000 -0.00029 -0.00003 -0.00023 0.00000 67 2PX -0.00010 -0.00048 -0.00026 -0.00085 0.00000 68 2PY -0.00008 0.00014 0.00002 0.00001 0.00000 69 2PZ -0.00011 -0.00123 -0.00039 -0.00084 0.00000 70 3S -0.00079 -0.00156 -0.00041 -0.00183 0.00000 71 3PX -0.00069 -0.00149 -0.00149 -0.00411 0.00000 72 3PY -0.00029 0.00180 0.00008 0.00119 0.00000 73 3PZ -0.00045 -0.00467 -0.00119 -0.00299 0.00001 74 4XX 0.00000 -0.00001 -0.00001 -0.00002 0.00000 75 4YY 0.00000 0.00000 0.00000 -0.00001 0.00000 76 4ZZ 0.00001 0.00006 0.00001 0.00005 0.00000 77 4XY 0.00000 -0.00001 0.00000 0.00000 0.00000 78 4XZ -0.00001 0.00000 -0.00001 -0.00001 0.00000 79 4YZ 0.00000 -0.00001 0.00000 -0.00001 0.00000 80 8 C 1S 0.00000 0.00002 0.00000 0.00002 0.00000 81 2S -0.00003 -0.00059 0.00000 -0.00062 0.00000 82 2PX 0.00036 -0.00051 0.00000 -0.00031 0.00000 83 2PY 0.00000 0.00000 0.00009 0.00000 0.00000 84 2PZ 0.00011 -0.00063 0.00000 -0.00069 0.00000 85 3S 0.00047 -0.00225 0.00000 -0.00168 0.00000 86 3PX 0.00174 -0.00125 0.00000 -0.00234 0.00000 87 3PY 0.00000 0.00000 -0.00020 -0.00001 0.00000 88 3PZ 0.00066 -0.00274 0.00000 -0.00122 -0.00003 89 4XX -0.00004 0.00004 0.00000 -0.00005 0.00000 90 4YY 0.00000 -0.00003 0.00000 -0.00002 0.00000 91 4ZZ 0.00007 0.00008 0.00000 0.00014 0.00000 92 4XY 0.00000 0.00000 -0.00001 0.00000 0.00000 93 4XZ 0.00000 0.00008 0.00000 0.00008 0.00000 94 4YZ 0.00000 0.00000 -0.00002 0.00000 0.00000 95 9 H 1S -0.00397 0.00003 -0.00003 -0.00158 0.00000 96 2S -0.01341 0.00028 -0.00224 -0.00516 0.00000 97 10 H 1S 0.00014 0.00000 0.00034 -0.00001 0.00000 98 2S 0.00203 -0.00002 0.00381 0.00011 0.00000 99 11 C 1S 0.00002 0.00006 0.00000 0.00005 0.00000 100 2S -0.00047 -0.00094 -0.00004 -0.00079 0.00000 101 2PX 0.00037 0.00032 -0.00004 0.00003 0.00000 102 2PY -0.00002 0.00002 0.00017 -0.00003 0.00000 103 2PZ -0.00145 -0.00148 -0.00017 -0.00112 0.00001 104 3S 0.00196 -0.00722 -0.00019 0.00182 0.00005 105 3PX 0.00125 -0.00006 -0.00003 -0.00127 0.00003 106 3PY 0.00007 0.00010 0.00107 0.00000 0.00000 107 3PZ -0.00137 -0.00113 -0.00025 -0.00149 0.00014 108 4XX -0.00003 -0.00023 -0.00001 0.00016 0.00000 109 4YY -0.00007 0.00001 0.00000 -0.00010 0.00000 110 4ZZ 0.00018 0.00049 0.00002 0.00005 0.00000 111 4XY 0.00000 0.00000 -0.00002 0.00000 0.00000 112 4XZ 0.00002 0.00000 0.00000 0.00008 0.00000 113 4YZ 0.00000 0.00000 -0.00005 0.00000 0.00000 114 12 H 1S 0.00005 0.00007 0.00004 0.00006 0.00000 115 2S 0.00085 0.00129 0.00040 0.00019 0.00000 116 13 H 1S -0.00013 -0.00083 -0.00001 0.00002 0.00000 117 2S -0.00096 -0.00342 -0.00002 0.00000 0.00000 118 14 C 1S 0.00002 0.00001 0.00001 0.00001 0.00000 119 2S -0.00038 -0.00025 -0.00015 -0.00013 0.00000 120 2PX -0.00067 -0.00013 -0.00021 -0.00049 0.00000 121 2PY -0.00021 0.00023 0.00009 -0.00050 0.00000 122 2PZ -0.00082 -0.00037 -0.00079 -0.00015 0.00000 123 3S -0.00472 -0.00083 -0.00209 -0.00150 0.00002 124 3PX -0.00270 0.00002 -0.00093 -0.00135 0.00000 125 3PY -0.00122 0.00171 -0.00003 -0.00232 0.00000 126 3PZ -0.00311 -0.00033 -0.00223 -0.00045 0.00002 127 4XX -0.00001 0.00002 -0.00005 -0.00002 0.00000 128 4YY 0.00001 -0.00003 0.00003 -0.00001 0.00000 129 4ZZ 0.00003 -0.00001 0.00002 0.00006 0.00000 130 4XY 0.00001 0.00000 0.00000 0.00002 0.00000 131 4XZ -0.00003 0.00000 -0.00002 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00002 -0.00001 0.00000 133 15 H 1S 0.00001 0.00000 0.00002 0.00001 0.00000 134 2S 0.00032 0.00000 0.00031 0.00023 0.00000 135 16 H 1S 0.00004 0.00007 -0.00002 0.00004 0.00000 136 2S 0.00062 0.00138 -0.00036 -0.00003 0.00000 137 17 H 1S 0.00002 -0.00006 0.00002 -0.00001 0.00000 138 2S 0.00022 -0.00057 0.00020 -0.00001 0.00000 139 18 H 1S 0.00000 0.00001 0.00001 0.00001 0.00000 140 2S 0.00014 0.00029 0.00024 0.00042 0.00000 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00001 0.00001 0.00000 0.00001 0.00000 143 2PX 0.00001 0.00006 0.00001 0.00004 0.00000 144 2PY 0.00001 0.00000 0.00000 0.00001 0.00000 145 2PZ -0.00001 0.00007 0.00000 0.00001 0.00000 146 3S 0.00005 -0.00003 0.00000 0.00006 0.00000 147 3PX 0.00010 0.00072 0.00007 0.00039 0.00000 148 3PY 0.00009 -0.00021 -0.00002 0.00002 0.00000 149 3PZ -0.00006 0.00090 0.00005 0.00010 0.00000 150 4XX 0.00000 -0.00002 -0.00001 -0.00001 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00001 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S -0.00004 -0.00009 0.00000 -0.00004 0.00000 158 2PX 0.00012 -0.00009 -0.00001 0.00012 0.00000 159 2PY 0.00000 -0.00003 -0.00001 -0.00001 0.00000 160 2PZ 0.00015 0.00008 -0.00003 0.00015 0.00000 161 3S -0.00009 -0.00141 -0.00002 -0.00037 0.00000 162 3PX 0.00108 0.00001 -0.00010 0.00099 0.00001 163 3PY 0.00004 -0.00038 -0.00009 -0.00013 0.00000 164 3PZ 0.00114 0.00081 -0.00014 0.00065 0.00001 165 4XX 0.00001 0.00001 0.00000 0.00001 0.00000 166 4YY 0.00000 -0.00003 0.00000 -0.00001 0.00000 167 4ZZ -0.00001 0.00003 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00004 0.00000 0.00001 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 -0.00007 0.00000 -0.00001 0.00000 173 2PX 0.00000 -0.00005 0.00000 -0.00001 0.00000 174 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 175 2PZ -0.00001 -0.00001 0.00000 0.00000 0.00000 176 3S 0.00002 -0.00040 -0.00002 -0.00009 0.00000 177 3PX 0.00002 0.00174 0.00003 0.00031 0.00000 178 3PY 0.00003 0.00024 -0.00004 0.00005 0.00000 179 3PZ 0.00003 0.00002 0.00002 0.00000 0.00000 180 4XX 0.00000 0.00001 0.00000 0.00001 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S -0.00001 -0.00002 0.00000 0.00000 0.00000 187 2S -0.00022 0.00020 -0.00001 -0.00002 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00001 0.00011 0.00000 0.00004 0.00000 56 57 58 59 60 56 4YY 0.00115 57 4ZZ -0.00018 0.00110 58 4XY 0.00000 0.00000 0.00077 59 4XZ 0.00000 0.00000 0.00000 0.00070 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00134 61 5 H 1S 0.00002 0.00000 0.00002 0.00000 0.00006 62 2S -0.00017 0.00015 0.00009 0.00000 0.00029 63 6 H 1S -0.00081 0.00181 0.00071 0.00150 0.00268 64 2S -0.00130 0.00240 0.00016 0.00026 0.00061 65 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 0.00000 0.00000 0.00000 0.00000 67 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 68 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 69 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 70 3S 0.00001 0.00000 0.00000 0.00000 0.00001 71 3PX 0.00000 0.00001 0.00000 0.00000 -0.00001 72 3PY 0.00000 -0.00001 0.00000 0.00000 0.00000 73 3PZ 0.00000 0.00001 0.00000 0.00001 0.00001 74 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 76 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 81 2S 0.00000 0.00000 0.00000 0.00000 0.00000 82 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 83 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 84 2PZ 0.00000 0.00001 0.00000 0.00001 0.00000 85 3S -0.00002 0.00006 0.00000 0.00002 0.00000 86 3PX -0.00003 0.00014 0.00000 0.00005 0.00000 87 3PY 0.00000 0.00000 0.00002 0.00000 0.00000 88 3PZ -0.00004 0.00012 0.00000 0.00010 0.00000 89 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 91 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 92 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 9 H 1S 0.00009 -0.00003 0.00000 0.00000 0.00006 96 2S 0.00098 -0.00058 0.00001 -0.00001 0.00016 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S -0.00001 0.00000 0.00000 0.00000 -0.00001 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00001 0.00000 0.00001 0.00000 101 2PX 0.00000 0.00003 0.00000 0.00002 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00004 0.00000 0.00004 0.00000 104 3S -0.00012 0.00023 0.00000 0.00007 -0.00001 105 3PX -0.00008 0.00023 0.00000 0.00004 -0.00001 106 3PY 0.00000 0.00000 0.00002 0.00000 -0.00006 107 3PZ -0.00013 0.00024 0.00000 0.00016 -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 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 -0.00002 0.00000 0.00000 0.00000 116 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 117 2S 0.00000 0.00001 -0.00001 -0.00003 0.00000 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00003 -0.00003 -0.00002 0.00001 -0.00001 124 3PX -0.00001 0.00002 0.00000 0.00000 -0.00002 125 3PY 0.00004 -0.00006 0.00000 -0.00001 0.00000 126 3PZ -0.00001 -0.00001 0.00000 0.00001 -0.00002 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 136 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 137 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00000 0.00000 0.00000 0.00000 0.00000 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 148 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 -0.00002 0.00000 -0.00001 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00000 0.00000 0.00000 177 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 61 62 63 64 65 61 5 H 1S 0.21724 62 2S 0.11525 0.16429 63 6 H 1S -0.00001 -0.00090 0.21724 64 2S -0.00090 -0.00524 0.11525 0.16428 65 7 C 1S 0.00000 0.00000 0.00000 0.00000 2.05261 66 2S 0.00000 0.00001 0.00000 0.00000 -0.01388 67 2PX 0.00000 0.00003 0.00000 0.00000 0.00000 68 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 69 2PZ 0.00000 0.00005 0.00000 -0.00001 0.00000 70 3S -0.00001 -0.00029 0.00000 0.00012 -0.03169 71 3PX 0.00003 0.00045 0.00000 -0.00010 0.00000 72 3PY 0.00001 0.00014 0.00000 0.00017 0.00000 73 3PZ -0.00004 -0.00034 0.00001 0.00006 0.00000 74 4XX 0.00000 0.00000 0.00000 0.00000 -0.00098 75 4YY 0.00000 0.00000 0.00000 0.00000 -0.00136 76 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00119 77 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 81 2S 0.00000 0.00000 0.00000 0.00001 -0.00066 82 2PX 0.00000 0.00000 0.00000 0.00003 0.00000 83 2PY 0.00000 0.00000 0.00000 0.00000 -0.00298 84 2PZ 0.00000 -0.00001 0.00000 0.00005 0.00000 85 3S 0.00000 0.00012 -0.00001 -0.00029 0.00022 86 3PX 0.00000 -0.00010 0.00003 0.00045 0.00000 87 3PY 0.00000 0.00017 0.00001 0.00014 -0.00027 88 3PZ 0.00001 0.00006 -0.00004 -0.00034 0.00000 89 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YY 0.00000 0.00000 0.00000 0.00000 -0.00028 91 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 92 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 9 H 1S 0.00000 0.00000 -0.00002 -0.00105 0.00000 96 2S 0.00000 -0.00014 -0.00108 -0.00576 0.00000 97 10 H 1S -0.00002 -0.00105 0.00000 0.00000 0.00000 98 2S -0.00108 -0.00576 0.00000 -0.00014 0.00001 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00008 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00013 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00001 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00027 0.00000 104 3S 0.00000 0.00001 0.00008 0.00142 0.00000 105 3PX 0.00000 -0.00003 0.00010 0.00127 0.00000 106 3PY 0.00000 -0.00001 0.00002 0.00016 0.00000 107 3PZ 0.00000 -0.00009 0.00012 0.00197 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 -0.00002 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 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00002 0.00000 -0.00018 0.00000 116 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 117 2S 0.00000 0.00000 0.00000 -0.00006 0.00000 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00008 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00013 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00027 0.00000 0.00000 0.00000 123 3S 0.00008 0.00142 0.00000 0.00001 0.00002 124 3PX 0.00010 0.00127 0.00000 -0.00003 0.00005 125 3PY 0.00002 0.00016 0.00000 -0.00001 0.00000 126 3PZ 0.00012 0.00196 0.00000 -0.00009 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 -0.00002 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 -0.00018 0.00000 0.00002 0.00000 135 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 136 2S 0.00000 -0.00006 0.00000 0.00000 0.00000 137 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00001 0.00000 -0.00010 0.00025 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00228 140 2S 0.00000 -0.00010 0.00000 0.00001 -0.00156 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 -0.00002 143 2PX 0.00000 0.00000 0.00000 0.00000 -0.00023 144 2PY 0.00000 0.00000 0.00000 0.00000 -0.00005 145 2PZ 0.00000 0.00003 0.00000 0.00000 -0.00013 146 3S 0.00000 0.00019 0.00000 -0.00001 0.00037 147 3PX -0.00001 0.00014 0.00000 0.00000 -0.00205 148 3PY 0.00000 0.00000 0.00000 0.00000 -0.00079 149 3PZ -0.00002 0.00013 0.00000 -0.00001 -0.00126 150 4XX 0.00000 0.00000 0.00000 0.00000 -0.00006 151 4YY 0.00000 0.00000 0.00000 0.00000 -0.00001 152 4ZZ 0.00000 -0.00001 0.00000 0.00000 -0.00002 153 4XY 0.00000 0.00000 0.00000 0.00000 -0.00007 154 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00016 155 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00005 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00003 0.00000 161 3S 0.00000 -0.00001 0.00000 0.00019 -0.00001 162 3PX 0.00000 0.00000 -0.00001 0.00014 0.00003 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00012 164 3PZ 0.00000 -0.00001 -0.00002 0.00013 -0.00001 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 -0.00001 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 -0.00001 0.00000 -0.00001 0.00010 177 3PX 0.00001 0.00008 0.00001 0.00008 0.00029 178 3PY 0.00000 0.00005 0.00000 0.00005 0.00003 179 3PZ 0.00000 -0.00001 0.00000 -0.00001 0.00009 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 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 0.00001 0.00008 0.00001 0.00008 -0.00001 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 66 67 68 69 70 66 2S 0.33257 67 2PX 0.00000 0.35371 68 2PY 0.00000 0.00000 0.42804 69 2PZ 0.00000 0.00000 0.00000 0.37250 70 3S 0.22153 0.00000 0.00000 0.00000 0.29971 71 3PX 0.00000 0.10357 0.00000 0.00000 0.00000 72 3PY 0.00000 0.00000 0.06761 0.00000 0.00000 73 3PZ 0.00000 0.00000 0.00000 0.08661 0.00000 74 4XX -0.00823 0.00000 0.00000 0.00000 -0.00569 75 4YY -0.00089 0.00000 0.00000 0.00000 -0.00013 76 4ZZ -0.00395 0.00000 0.00000 0.00000 -0.00315 77 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 8 C 1S -0.00066 0.00000 -0.00298 0.00000 0.00022 81 2S 0.01406 0.00000 0.04390 0.00000 0.00850 82 2PX 0.00000 0.01689 0.00000 0.00000 0.00000 83 2PY 0.04391 0.00000 0.10306 0.00000 0.03420 84 2PZ 0.00000 0.00000 0.00000 0.01345 0.00000 85 3S 0.00850 0.00000 0.03419 0.00000 -0.02067 86 3PX 0.00000 0.02495 0.00000 0.00000 0.00000 87 3PY 0.01059 0.00000 0.01765 0.00000 -0.00416 88 3PZ 0.00000 0.00000 0.00000 0.02001 0.00000 89 4XX -0.00058 0.00000 -0.00161 0.00000 -0.00086 90 4YY 0.00372 0.00000 0.00305 0.00000 0.00373 91 4ZZ -0.00072 0.00000 -0.00139 0.00000 -0.00221 92 4XY 0.00000 0.00216 0.00000 0.00000 0.00000 93 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YZ 0.00000 0.00000 0.00000 0.00225 0.00000 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00001 96 2S 0.00001 0.00000 0.00004 0.00000 0.00040 97 10 H 1S 0.00000 -0.00001 -0.00001 0.00000 -0.00045 98 2S -0.00014 -0.00057 -0.00047 -0.00021 -0.00291 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 -0.00006 101 2PX 0.00000 -0.00001 0.00000 0.00000 -0.00015 102 2PY 0.00000 0.00000 0.00000 0.00000 -0.00004 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00001 104 3S -0.00005 -0.00069 0.00006 -0.00003 -0.00107 105 3PX 0.00000 -0.00016 -0.00001 0.00000 -0.00023 106 3PY 0.00001 0.00000 -0.00002 0.00001 -0.00032 107 3PZ 0.00001 0.00003 0.00000 -0.00005 0.00008 108 4XX 0.00000 0.00000 0.00000 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 H 1S 0.00000 0.00000 0.00000 0.00000 0.00002 115 2S 0.00002 0.00008 -0.00003 -0.00002 0.00031 116 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 117 2S 0.00000 0.00001 0.00000 0.00000 0.00004 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00001 119 2S 0.00000 -0.00003 0.00000 0.00000 -0.00039 120 2PX -0.00002 -0.00009 0.00000 0.00000 -0.00103 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00001 122 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00005 123 3S -0.00057 -0.00076 -0.00002 -0.00003 -0.00286 124 3PX -0.00086 -0.00005 -0.00002 -0.00005 -0.00331 125 3PY 0.00001 0.00006 -0.00012 0.00000 0.00010 126 3PZ -0.00002 -0.00003 0.00000 -0.00015 -0.00013 127 4XX 0.00000 0.00002 0.00000 0.00000 0.00014 128 4YY 0.00000 0.00000 0.00000 0.00000 -0.00001 129 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00003 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 H 1S 0.00000 -0.00001 0.00000 0.00000 -0.00045 134 2S -0.00009 -0.00046 0.00000 0.00016 -0.00210 135 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00001 136 2S 0.00002 0.00011 0.00000 0.00001 0.00046 137 17 H 1S -0.00021 -0.00002 -0.00048 0.00001 -0.00438 138 2S -0.00404 -0.00034 -0.00663 -0.00022 -0.01600 139 18 H 1S 0.03690 0.00793 0.03846 0.05133 0.05109 140 2S 0.01879 0.00288 0.02289 0.03191 0.03021 141 19 O 1S -0.00007 -0.00042 -0.00007 -0.00030 0.00133 142 2S 0.00123 0.00793 0.00179 0.00540 -0.02020 143 2PX 0.01163 0.01475 0.00636 0.01937 0.00349 144 2PY 0.00233 0.00492 -0.00073 0.00370 0.00289 145 2PZ 0.00563 0.02017 0.00360 0.00309 0.00684 146 3S -0.00405 0.00779 -0.00266 0.00959 -0.06295 147 3PX 0.02126 0.00872 0.00721 0.01956 0.00095 148 3PY 0.00710 0.00657 -0.00457 0.00651 0.00840 149 3PZ 0.01050 0.02145 0.00438 -0.00174 0.01609 150 4XX 0.00082 -0.00105 0.00079 0.00109 0.00153 151 4YY 0.00013 0.00047 0.00000 0.00044 0.00058 152 4ZZ 0.00024 0.00134 0.00049 -0.00045 0.00101 153 4XY 0.00081 0.00074 0.00022 0.00104 0.00017 154 4XZ 0.00148 0.00068 0.00040 0.00008 0.00042 155 4YZ 0.00045 0.00134 0.00014 0.00010 0.00017 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 -0.00013 157 2S -0.00003 -0.00003 -0.00007 -0.00003 0.00200 158 2PX -0.00004 0.00007 -0.00016 -0.00005 -0.00074 159 2PY -0.00017 -0.00008 -0.00034 -0.00005 -0.00427 160 2PZ 0.00001 -0.00008 -0.00013 0.00003 0.00027 161 3S -0.00011 -0.00115 0.00120 -0.00084 0.01262 162 3PX -0.00090 0.00052 -0.00165 -0.00102 -0.00356 163 3PY -0.00335 -0.00153 -0.00361 -0.00042 -0.01641 164 3PZ 0.00029 -0.00155 -0.00159 -0.00018 0.00197 165 4XX 0.00000 -0.00001 -0.00004 0.00002 0.00004 166 4YY -0.00003 -0.00001 -0.00006 0.00001 -0.00062 167 4ZZ 0.00000 0.00002 -0.00002 0.00000 -0.00011 168 4XY 0.00002 0.00002 0.00012 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00001 0.00000 0.00000 170 4YZ 0.00001 0.00001 0.00006 0.00000 -0.00001 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00007 172 2S -0.00017 -0.00052 -0.00020 0.00001 -0.00077 173 2PX -0.00050 -0.00057 -0.00023 -0.00040 -0.00349 174 2PY -0.00005 -0.00033 -0.00001 -0.00024 0.00049 175 2PZ -0.00019 -0.00046 -0.00005 0.00001 -0.00159 176 3S -0.00108 -0.00375 -0.00142 -0.00004 0.00114 177 3PX -0.00351 0.00031 -0.00101 -0.00346 -0.00871 178 3PY -0.00050 -0.00201 -0.00009 -0.00105 0.00058 179 3PZ -0.00101 -0.00140 -0.00016 0.00004 -0.00128 180 4XX 0.00003 0.00016 -0.00002 0.00008 -0.00025 181 4YY -0.00002 -0.00007 0.00000 -0.00003 -0.00017 182 4ZZ 0.00002 0.00010 -0.00001 0.00001 0.00033 183 4XY 0.00001 0.00001 0.00000 0.00002 0.00002 184 4XZ 0.00002 0.00013 0.00001 0.00003 0.00006 185 4YZ 0.00000 0.00006 0.00000 0.00000 0.00002 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00021 187 2S 0.00018 0.00049 0.00002 0.00017 0.00178 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00005 189 2S -0.00004 0.00100 0.00005 -0.00012 -0.00222 71 72 73 74 75 71 3PX 0.12474 72 3PY 0.00000 0.05431 73 3PZ 0.00000 0.00000 0.08173 74 4XX 0.00000 0.00000 0.00000 0.00257 75 4YY 0.00000 0.00000 0.00000 -0.00022 0.00122 76 4ZZ 0.00000 0.00000 0.00000 -0.00017 -0.00012 77 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 8 C 1S 0.00000 -0.00027 0.00000 0.00000 -0.00028 81 2S 0.00000 0.01059 0.00000 -0.00058 0.00372 82 2PX 0.02495 0.00000 0.00000 0.00000 0.00000 83 2PY 0.00000 0.01765 0.00000 -0.00161 0.00305 84 2PZ 0.00000 0.00000 0.02001 0.00000 0.00000 85 3S 0.00000 -0.00417 0.00000 -0.00086 0.00373 86 3PX 0.03516 0.00000 0.00000 0.00000 0.00000 87 3PY 0.00000 0.00160 0.00000 -0.00173 0.00134 88 3PZ 0.00000 0.00000 0.02759 0.00000 0.00000 89 4XX 0.00000 -0.00173 0.00000 0.00004 -0.00004 90 4YY 0.00000 0.00134 0.00000 -0.00004 -0.00006 91 4ZZ 0.00000 -0.00081 0.00000 0.00000 -0.00004 92 4XY 0.00129 0.00000 0.00000 0.00000 0.00000 93 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YZ 0.00000 0.00000 0.00098 0.00000 0.00000 95 9 H 1S 0.00000 0.00003 0.00000 0.00000 0.00000 96 2S 0.00007 0.00037 0.00002 0.00000 0.00000 97 10 H 1S -0.00066 0.00017 -0.00012 0.00000 0.00000 98 2S -0.00300 0.00034 -0.00089 -0.00003 0.00005 99 11 C 1S 0.00001 0.00000 0.00000 0.00000 0.00000 100 2S -0.00045 0.00004 -0.00001 0.00000 0.00000 101 2PX -0.00059 -0.00006 -0.00002 0.00000 0.00000 102 2PY -0.00004 -0.00001 -0.00001 0.00000 0.00000 103 2PZ 0.00003 0.00000 -0.00002 0.00000 0.00000 104 3S -0.00499 0.00095 -0.00021 -0.00001 0.00000 105 3PX -0.00061 -0.00019 -0.00001 0.00002 -0.00001 106 3PY 0.00039 -0.00007 -0.00001 0.00000 0.00000 107 3PZ 0.00016 -0.00002 -0.00026 0.00000 0.00000 108 4XX 0.00003 0.00000 0.00000 0.00000 0.00000 109 4YY -0.00001 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 -0.00001 0.00000 0.00000 0.00000 111 4XY 0.00001 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 H 1S 0.00001 -0.00003 0.00000 0.00000 0.00000 115 2S 0.00085 -0.00059 -0.00014 0.00000 0.00000 116 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 117 2S 0.00029 0.00001 0.00002 0.00000 0.00000 118 14 C 1S 0.00004 0.00000 0.00000 0.00000 0.00000 119 2S -0.00054 -0.00001 -0.00004 0.00000 0.00000 120 2PX -0.00093 -0.00007 -0.00012 0.00001 0.00000 121 2PY -0.00001 -0.00005 0.00000 0.00000 0.00000 122 2PZ -0.00001 0.00000 -0.00009 0.00000 0.00000 123 3S -0.00325 -0.00007 -0.00021 0.00002 0.00000 124 3PX 0.00013 -0.00011 -0.00021 0.00011 0.00001 125 3PY 0.00014 -0.00044 0.00001 0.00000 0.00000 126 3PZ -0.00007 0.00000 -0.00061 0.00001 0.00000 127 4XX 0.00044 0.00001 0.00003 0.00000 0.00000 128 4YY -0.00009 0.00000 0.00000 0.00000 0.00000 129 4ZZ -0.00011 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 -0.00001 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 H 1S -0.00048 -0.00014 0.00009 0.00000 0.00000 134 2S -0.00172 -0.00057 0.00049 -0.00004 0.00000 135 16 H 1S 0.00003 0.00000 0.00000 0.00000 0.00000 136 2S 0.00124 0.00011 0.00012 0.00000 0.00000 137 17 H 1S -0.00015 -0.00396 0.00001 0.00000 0.00001 138 2S -0.00044 -0.00968 0.00022 0.00021 -0.00032 139 18 H 1S 0.00330 0.01136 0.02349 -0.00138 -0.00041 140 2S -0.00079 0.00771 0.02377 -0.00261 -0.00056 141 19 O 1S 0.00029 -0.00027 0.00044 -0.00004 0.00000 142 2S -0.00428 0.00287 -0.00588 0.00111 -0.00019 143 2PX 0.00051 0.00069 0.00347 -0.00088 -0.00052 144 2PY -0.00129 0.00461 0.00029 0.00079 0.00017 145 2PZ 0.00776 0.00155 -0.00120 0.00394 -0.00025 146 3S -0.01156 0.00244 -0.01076 0.00123 -0.00005 147 3PX -0.00193 -0.00011 0.00196 -0.00176 -0.00162 148 3PY -0.00310 0.01104 0.00115 0.00111 -0.00053 149 3PZ 0.00886 0.00298 -0.00697 0.00637 -0.00071 150 4XX -0.00127 0.00052 0.00103 -0.00004 -0.00001 151 4YY -0.00036 -0.00023 0.00029 0.00008 -0.00004 152 4ZZ 0.00207 0.00016 -0.00055 0.00009 0.00000 153 4XY 0.00001 0.00020 0.00006 -0.00006 0.00000 154 4XZ 0.00000 0.00004 0.00005 -0.00001 -0.00003 155 4YZ 0.00020 0.00012 0.00001 0.00018 0.00000 156 20 O 1S 0.00000 -0.00014 -0.00001 0.00000 0.00000 157 2S 0.00009 0.00147 0.00035 0.00000 0.00000 158 2PX 0.00019 -0.00020 -0.00007 0.00000 0.00001 159 2PY 0.00105 -0.00423 0.00087 0.00000 0.00002 160 2PZ -0.00124 -0.00151 -0.00029 0.00000 0.00001 161 3S -0.00127 0.00962 -0.00038 -0.00004 0.00013 162 3PX -0.00142 0.00009 -0.00098 -0.00006 0.00010 163 3PY 0.00199 -0.01058 0.00302 -0.00001 0.00038 164 3PZ -0.00483 -0.00484 -0.00247 0.00005 0.00007 165 4XX -0.00009 -0.00019 0.00016 0.00000 0.00000 166 4YY 0.00005 -0.00056 0.00015 0.00000 0.00000 167 4ZZ 0.00011 -0.00017 -0.00006 0.00000 0.00000 168 4XY 0.00001 0.00010 0.00000 0.00000 0.00001 169 4XZ 0.00000 -0.00002 -0.00001 0.00000 0.00000 170 4YZ 0.00000 -0.00001 0.00000 0.00000 0.00001 171 21 C 1S 0.00024 0.00007 -0.00002 0.00000 0.00000 172 2S -0.00343 -0.00115 0.00097 0.00004 -0.00001 173 2PX -0.00246 -0.00024 -0.00079 0.00014 -0.00003 174 2PY -0.00178 -0.00087 -0.00083 0.00003 0.00000 175 2PZ -0.00220 0.00017 0.00003 0.00005 -0.00001 176 3S -0.00718 -0.00271 0.00295 0.00005 -0.00010 177 3PX 0.00157 0.00029 -0.00415 0.00006 -0.00021 178 3PY -0.00176 0.00005 -0.00046 -0.00002 0.00003 179 3PZ -0.00325 -0.00026 -0.00045 0.00043 -0.00006 180 4XX 0.00049 0.00008 0.00008 -0.00001 0.00000 181 4YY -0.00061 0.00004 -0.00019 0.00000 0.00000 182 4ZZ 0.00059 -0.00007 0.00004 0.00000 0.00000 183 4XY -0.00015 -0.00008 -0.00007 0.00000 0.00000 184 4XZ 0.00008 -0.00003 0.00001 0.00002 0.00000 185 4YZ 0.00010 -0.00002 0.00000 0.00001 0.00000 186 22 H 1S 0.00022 -0.00007 0.00011 0.00000 0.00000 187 2S 0.00190 -0.00023 0.00034 0.00004 0.00001 188 23 H 1S 0.00032 0.00003 0.00001 0.00000 0.00000 189 2S 0.00603 0.00084 -0.00068 -0.00023 0.00000 76 77 78 79 80 76 4ZZ 0.00177 77 4XY 0.00000 0.00157 78 4XZ 0.00000 0.00000 0.00159 79 4YZ 0.00000 0.00000 0.00000 0.00181 80 8 C 1S 0.00000 0.00000 0.00000 0.00000 2.05261 81 2S -0.00072 0.00000 0.00000 0.00000 -0.01388 82 2PX 0.00000 0.00216 0.00000 0.00000 0.00000 83 2PY -0.00139 0.00000 0.00000 0.00000 0.00000 84 2PZ 0.00000 0.00000 0.00000 0.00225 0.00000 85 3S -0.00221 0.00000 0.00000 0.00000 -0.03169 86 3PX 0.00000 0.00129 0.00000 0.00000 0.00000 87 3PY -0.00081 0.00000 0.00000 0.00000 0.00000 88 3PZ 0.00000 0.00000 0.00000 0.00098 0.00000 89 4XX 0.00000 0.00000 0.00000 0.00000 -0.00098 90 4YY -0.00004 0.00000 0.00000 0.00000 -0.00136 91 4ZZ 0.00005 0.00000 0.00000 0.00000 -0.00119 92 4XY 0.00000 -0.00001 0.00000 0.00000 0.00000 93 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YZ 0.00000 0.00000 0.00000 -0.00018 0.00000 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00000 0.00000 0.00000 0.00001 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S -0.00001 0.00000 0.00000 0.00001 0.00000 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00001 -0.00001 0.00000 0.00000 0.00002 105 3PX 0.00000 0.00000 0.00000 0.00000 0.00005 106 3PY 0.00000 0.00001 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 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 117 2S 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00001 0.00000 0.00001 0.00000 0.00000 124 3PX -0.00002 0.00000 0.00000 0.00000 0.00000 125 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00002 0.00000 0.00002 0.00000 0.00000 135 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 136 2S 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 H 1S 0.00001 0.00001 0.00000 0.00004 -0.00228 138 2S 0.00033 0.00001 0.00001 0.00022 -0.00156 139 18 H 1S 0.00210 0.00064 0.00044 0.00359 0.00000 140 2S 0.00337 0.00014 0.00008 0.00064 0.00025 141 19 O 1S -0.00001 -0.00005 -0.00009 -0.00003 0.00000 142 2S 0.00021 0.00087 0.00166 0.00057 0.00000 143 2PX 0.00162 0.00035 0.00279 0.00102 0.00000 144 2PY 0.00032 0.00028 0.00124 0.00016 0.00000 145 2PZ -0.00069 0.00138 0.00027 0.00003 0.00000 146 3S 0.00061 0.00101 0.00119 0.00077 -0.00001 147 3PX 0.00391 -0.00001 0.00080 0.00057 0.00003 148 3PY 0.00066 0.00077 0.00085 0.00048 0.00012 149 3PZ -0.00229 0.00089 -0.00001 0.00000 -0.00001 150 4XX 0.00005 0.00002 0.00001 -0.00002 0.00000 151 4YY 0.00003 0.00002 0.00010 0.00001 0.00000 152 4ZZ -0.00003 0.00002 -0.00002 -0.00001 0.00000 153 4XY 0.00004 0.00000 0.00011 -0.00003 0.00000 154 4XZ 0.00000 0.00003 0.00007 0.00000 0.00000 155 4YZ -0.00003 -0.00002 0.00002 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 -0.00002 158 2PX 0.00000 0.00001 0.00000 0.00001 -0.00023 159 2PY 0.00000 0.00001 0.00000 0.00001 -0.00005 160 2PZ 0.00000 0.00001 0.00000 0.00000 -0.00013 161 3S -0.00001 -0.00002 -0.00004 0.00002 0.00037 162 3PX 0.00010 0.00006 0.00000 0.00008 -0.00205 163 3PY -0.00004 0.00008 -0.00004 0.00013 -0.00079 164 3PZ -0.00003 0.00006 0.00000 -0.00001 -0.00126 165 4XX 0.00000 0.00000 0.00000 0.00000 -0.00006 166 4YY 0.00000 0.00001 0.00000 0.00000 -0.00001 167 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00002 168 4XY 0.00000 0.00000 0.00000 0.00000 -0.00007 169 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00016 170 4YZ 0.00000 0.00001 0.00000 0.00000 -0.00005 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00001 0.00002 0.00001 0.00002 0.00000 173 2PX 0.00003 0.00007 0.00008 0.00005 0.00000 174 2PY 0.00001 0.00000 -0.00001 0.00000 0.00000 175 2PZ 0.00001 0.00002 0.00002 0.00001 0.00000 176 3S 0.00006 0.00006 -0.00004 0.00007 0.00010 177 3PX 0.00050 0.00013 0.00005 0.00004 0.00029 178 3PY -0.00001 -0.00008 -0.00009 -0.00004 0.00003 179 3PZ -0.00011 0.00001 0.00000 0.00000 0.00009 180 4XX 0.00001 0.00001 0.00002 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00001 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 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 -0.00007 -0.00001 -0.00002 0.00000 -0.00001 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00009 0.00002 0.00001 -0.00001 0.00000 81 82 83 84 85 81 2S 0.33256 82 2PX 0.00000 0.35371 83 2PY 0.00000 0.00000 0.42805 84 2PZ 0.00000 0.00000 0.00000 0.37249 85 3S 0.22154 0.00000 0.00000 0.00000 0.29975 86 3PX 0.00000 0.10357 0.00000 0.00000 0.00000 87 3PY 0.00000 0.00000 0.06761 0.00000 0.00000 88 3PZ 0.00000 0.00000 0.00000 0.08662 0.00000 89 4XX -0.00823 0.00000 0.00000 0.00000 -0.00569 90 4YY -0.00089 0.00000 0.00000 0.00000 -0.00013 91 4ZZ -0.00395 0.00000 0.00000 0.00000 -0.00315 92 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 9 H 1S 0.00000 -0.00001 -0.00001 0.00000 -0.00045 96 2S -0.00014 -0.00057 -0.00047 -0.00021 -0.00292 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00001 98 2S 0.00001 0.00000 0.00004 0.00000 0.00040 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00001 100 2S 0.00000 -0.00003 0.00000 0.00000 -0.00039 101 2PX -0.00002 -0.00009 0.00000 0.00000 -0.00103 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00001 103 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00005 104 3S -0.00057 -0.00076 -0.00002 -0.00003 -0.00287 105 3PX -0.00086 -0.00006 -0.00002 -0.00005 -0.00332 106 3PY 0.00001 0.00006 -0.00012 0.00000 0.00010 107 3PZ -0.00002 -0.00003 0.00000 -0.00015 -0.00013 108 4XX 0.00000 0.00002 0.00000 0.00000 0.00014 109 4YY 0.00000 0.00000 0.00000 0.00000 -0.00001 110 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00003 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 H 1S 0.00000 -0.00001 0.00000 0.00000 -0.00045 115 2S -0.00009 -0.00046 0.00000 0.00016 -0.00210 116 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00001 117 2S 0.00002 0.00011 0.00000 0.00001 0.00046 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 -0.00006 120 2PX 0.00000 -0.00001 0.00000 0.00000 -0.00015 121 2PY 0.00000 0.00000 0.00000 0.00000 -0.00004 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00001 123 3S -0.00005 -0.00069 0.00006 -0.00003 -0.00107 124 3PX 0.00000 -0.00016 -0.00001 0.00000 -0.00024 125 3PY 0.00001 0.00000 -0.00002 0.00001 -0.00032 126 3PZ 0.00001 0.00003 0.00000 -0.00005 0.00008 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00001 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00002 134 2S 0.00002 0.00008 -0.00003 -0.00002 0.00031 135 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 136 2S 0.00000 0.00001 0.00000 0.00000 0.00004 137 17 H 1S 0.03690 0.00793 0.03848 0.05131 0.05109 138 2S 0.01878 0.00288 0.02290 0.03190 0.03020 139 18 H 1S -0.00021 -0.00002 -0.00048 0.00001 -0.00438 140 2S -0.00404 -0.00034 -0.00663 -0.00022 -0.01600 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 -0.00013 142 2S -0.00003 -0.00003 -0.00007 -0.00003 0.00200 143 2PX -0.00004 0.00007 -0.00016 -0.00005 -0.00074 144 2PY -0.00017 -0.00008 -0.00034 -0.00005 -0.00427 145 2PZ 0.00001 -0.00008 -0.00013 0.00003 0.00027 146 3S -0.00011 -0.00115 0.00120 -0.00084 0.01262 147 3PX -0.00090 0.00052 -0.00165 -0.00102 -0.00356 148 3PY -0.00335 -0.00153 -0.00361 -0.00042 -0.01640 149 3PZ 0.00029 -0.00155 -0.00159 -0.00018 0.00197 150 4XX 0.00000 -0.00001 -0.00004 0.00002 0.00004 151 4YY -0.00003 -0.00001 -0.00006 0.00001 -0.00062 152 4ZZ 0.00000 0.00002 -0.00002 0.00000 -0.00011 153 4XY 0.00002 0.00002 0.00012 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00001 0.00000 0.00000 155 4YZ 0.00001 0.00001 0.00006 0.00000 -0.00001 156 20 O 1S -0.00007 -0.00042 -0.00007 -0.00030 0.00133 157 2S 0.00123 0.00793 0.00179 0.00540 -0.02021 158 2PX 0.01163 0.01476 0.00636 0.01937 0.00349 159 2PY 0.00233 0.00492 -0.00073 0.00370 0.00289 160 2PZ 0.00563 0.02017 0.00360 0.00309 0.00684 161 3S -0.00405 0.00779 -0.00266 0.00958 -0.06296 162 3PX 0.02126 0.00872 0.00721 0.01956 0.00095 163 3PY 0.00710 0.00656 -0.00457 0.00651 0.00839 164 3PZ 0.01050 0.02146 0.00438 -0.00174 0.01610 165 4XX 0.00082 -0.00105 0.00079 0.00109 0.00153 166 4YY 0.00013 0.00047 0.00000 0.00044 0.00058 167 4ZZ 0.00024 0.00134 0.00049 -0.00045 0.00101 168 4XY 0.00081 0.00074 0.00022 0.00104 0.00017 169 4XZ 0.00148 0.00068 0.00040 0.00008 0.00042 170 4YZ 0.00045 0.00134 0.00014 0.00010 0.00017 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00007 172 2S -0.00017 -0.00052 -0.00020 0.00001 -0.00077 173 2PX -0.00050 -0.00057 -0.00023 -0.00040 -0.00349 174 2PY -0.00005 -0.00033 -0.00001 -0.00024 0.00049 175 2PZ -0.00019 -0.00046 -0.00005 0.00001 -0.00159 176 3S -0.00108 -0.00375 -0.00142 -0.00004 0.00114 177 3PX -0.00351 0.00031 -0.00101 -0.00346 -0.00871 178 3PY -0.00050 -0.00201 -0.00009 -0.00105 0.00058 179 3PZ -0.00101 -0.00139 -0.00016 0.00004 -0.00128 180 4XX 0.00003 0.00016 -0.00002 0.00008 -0.00025 181 4YY -0.00002 -0.00007 0.00000 -0.00003 -0.00017 182 4ZZ 0.00002 0.00010 -0.00001 0.00001 0.00033 183 4XY 0.00001 0.00001 0.00000 0.00002 0.00002 184 4XZ 0.00002 0.00013 0.00001 0.00003 0.00006 185 4YZ 0.00000 0.00006 0.00000 0.00000 0.00002 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00021 187 2S 0.00018 0.00049 0.00002 0.00017 0.00178 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00005 189 2S -0.00004 0.00100 0.00005 -0.00012 -0.00222 86 87 88 89 90 86 3PX 0.12473 87 3PY 0.00000 0.05430 88 3PZ 0.00000 0.00000 0.08174 89 4XX 0.00000 0.00000 0.00000 0.00257 90 4YY 0.00000 0.00000 0.00000 -0.00022 0.00122 91 4ZZ 0.00000 0.00000 0.00000 -0.00017 -0.00012 92 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 9 H 1S -0.00066 0.00017 -0.00012 0.00000 0.00000 96 2S -0.00300 0.00034 -0.00089 -0.00003 0.00005 97 10 H 1S 0.00000 0.00003 0.00000 0.00000 0.00000 98 2S 0.00007 0.00037 0.00002 0.00000 0.00000 99 11 C 1S 0.00004 0.00000 0.00000 0.00000 0.00000 100 2S -0.00054 -0.00001 -0.00004 0.00000 0.00000 101 2PX -0.00093 -0.00007 -0.00012 0.00001 0.00000 102 2PY -0.00001 -0.00005 0.00000 0.00000 0.00000 103 2PZ -0.00001 0.00000 -0.00009 0.00000 0.00000 104 3S -0.00326 -0.00007 -0.00021 0.00002 0.00000 105 3PX 0.00013 -0.00011 -0.00021 0.00011 0.00001 106 3PY 0.00014 -0.00044 0.00001 0.00000 0.00000 107 3PZ -0.00007 0.00000 -0.00061 0.00001 0.00000 108 4XX 0.00044 0.00001 0.00003 0.00000 0.00000 109 4YY -0.00009 0.00000 0.00000 0.00000 0.00000 110 4ZZ -0.00011 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 -0.00001 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 H 1S -0.00048 -0.00014 0.00009 0.00000 0.00000 115 2S -0.00172 -0.00058 0.00049 -0.00004 0.00000 116 13 H 1S 0.00003 0.00000 0.00000 0.00000 0.00000 117 2S 0.00124 0.00011 0.00012 0.00000 0.00000 118 14 C 1S 0.00001 0.00000 0.00000 0.00000 0.00000 119 2S -0.00045 0.00004 -0.00001 0.00000 0.00000 120 2PX -0.00059 -0.00006 -0.00002 0.00000 0.00000 121 2PY -0.00004 -0.00001 -0.00001 0.00000 0.00000 122 2PZ 0.00003 0.00000 -0.00002 0.00000 0.00000 123 3S -0.00499 0.00095 -0.00021 -0.00001 0.00000 124 3PX -0.00061 -0.00019 -0.00001 0.00002 -0.00001 125 3PY 0.00039 -0.00007 -0.00001 0.00000 0.00000 126 3PZ 0.00016 -0.00002 -0.00026 0.00000 0.00000 127 4XX 0.00003 0.00000 0.00000 0.00000 0.00000 128 4YY -0.00001 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 -0.00001 0.00000 0.00000 0.00000 130 4XY 0.00001 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 H 1S 0.00001 -0.00003 0.00000 0.00000 0.00000 134 2S 0.00085 -0.00059 -0.00014 0.00000 0.00000 135 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 136 2S 0.00029 0.00001 0.00002 0.00000 0.00000 137 17 H 1S 0.00330 0.01136 0.02349 -0.00138 -0.00041 138 2S -0.00079 0.00772 0.02377 -0.00261 -0.00056 139 18 H 1S -0.00015 -0.00396 0.00001 0.00000 0.00001 140 2S -0.00044 -0.00968 0.00022 0.00021 -0.00032 141 19 O 1S 0.00000 -0.00014 -0.00001 0.00000 0.00000 142 2S 0.00009 0.00147 0.00034 0.00000 0.00000 143 2PX 0.00019 -0.00020 -0.00007 0.00000 0.00001 144 2PY 0.00105 -0.00423 0.00087 0.00000 0.00002 145 2PZ -0.00124 -0.00151 -0.00029 0.00000 0.00001 146 3S -0.00127 0.00962 -0.00039 -0.00004 0.00013 147 3PX -0.00142 0.00009 -0.00098 -0.00006 0.00010 148 3PY 0.00199 -0.01059 0.00303 -0.00001 0.00038 149 3PZ -0.00482 -0.00484 -0.00248 0.00005 0.00007 150 4XX -0.00009 -0.00019 0.00016 0.00000 0.00000 151 4YY 0.00005 -0.00056 0.00015 0.00000 0.00000 152 4ZZ 0.00011 -0.00017 -0.00006 0.00000 0.00000 153 4XY 0.00001 0.00010 0.00000 0.00000 0.00001 154 4XZ 0.00000 -0.00002 -0.00001 0.00000 0.00000 155 4YZ 0.00000 -0.00001 0.00000 0.00000 0.00001 156 20 O 1S 0.00029 -0.00027 0.00045 -0.00004 0.00000 157 2S -0.00428 0.00287 -0.00588 0.00111 -0.00019 158 2PX 0.00051 0.00069 0.00347 -0.00088 -0.00052 159 2PY -0.00129 0.00461 0.00029 0.00079 0.00017 160 2PZ 0.00777 0.00155 -0.00120 0.00394 -0.00025 161 3S -0.01156 0.00244 -0.01076 0.00123 -0.00005 162 3PX -0.00193 -0.00011 0.00196 -0.00176 -0.00162 163 3PY -0.00310 0.01105 0.00114 0.00111 -0.00053 164 3PZ 0.00886 0.00298 -0.00697 0.00637 -0.00071 165 4XX -0.00127 0.00052 0.00104 -0.00004 -0.00001 166 4YY -0.00036 -0.00023 0.00029 0.00008 -0.00004 167 4ZZ 0.00207 0.00016 -0.00055 0.00009 0.00000 168 4XY 0.00001 0.00020 0.00006 -0.00006 0.00000 169 4XZ 0.00000 0.00004 0.00005 -0.00001 -0.00003 170 4YZ 0.00020 0.00012 0.00001 0.00018 0.00000 171 21 C 1S 0.00024 0.00007 -0.00002 0.00000 0.00000 172 2S -0.00343 -0.00115 0.00097 0.00004 -0.00001 173 2PX -0.00246 -0.00025 -0.00079 0.00014 -0.00003 174 2PY -0.00178 -0.00087 -0.00083 0.00003 0.00000 175 2PZ -0.00220 0.00017 0.00003 0.00005 -0.00001 176 3S -0.00718 -0.00271 0.00295 0.00005 -0.00010 177 3PX 0.00157 0.00029 -0.00415 0.00006 -0.00021 178 3PY -0.00176 0.00005 -0.00046 -0.00002 0.00003 179 3PZ -0.00325 -0.00026 -0.00045 0.00043 -0.00006 180 4XX 0.00049 0.00008 0.00008 -0.00001 0.00000 181 4YY -0.00061 0.00004 -0.00019 0.00000 0.00000 182 4ZZ 0.00059 -0.00007 0.00004 0.00000 0.00000 183 4XY -0.00015 -0.00008 -0.00007 0.00000 0.00000 184 4XZ 0.00008 -0.00003 0.00001 0.00002 0.00000 185 4YZ 0.00010 -0.00002 0.00000 0.00001 0.00000 186 22 H 1S 0.00022 -0.00007 0.00011 0.00000 0.00000 187 2S 0.00190 -0.00023 0.00034 0.00004 0.00001 188 23 H 1S 0.00032 0.00003 0.00001 0.00000 0.00000 189 2S 0.00603 0.00084 -0.00068 -0.00023 0.00000 91 92 93 94 95 91 4ZZ 0.00177 92 4XY 0.00000 0.00157 93 4XZ 0.00000 0.00000 0.00159 94 4YZ 0.00000 0.00000 0.00000 0.00181 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.21689 96 2S -0.00001 0.00000 0.00000 0.00001 0.11507 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 -0.00012 101 2PX 0.00000 0.00000 0.00000 0.00000 -0.00015 102 2PY 0.00000 0.00000 0.00000 0.00000 -0.00028 103 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00011 104 3S 0.00001 0.00000 0.00001 0.00000 -0.00433 105 3PX -0.00002 0.00000 0.00000 0.00000 -0.00193 106 3PY 0.00000 0.00000 0.00000 0.00000 -0.00115 107 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00145 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00004 110 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00001 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00002 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00002 114 12 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 115 2S 0.00002 0.00000 0.00002 0.00000 -0.00039 116 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 117 2S 0.00000 0.00000 0.00000 0.00000 -0.00016 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00001 -0.00001 0.00000 0.00000 0.00008 124 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 3PY 0.00000 0.00001 0.00000 0.00000 0.00023 126 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 136 2S 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 H 1S 0.00209 0.00064 0.00044 0.00359 0.00000 138 2S 0.00337 0.00014 0.00008 0.00064 -0.00007 139 18 H 1S 0.00001 0.00001 0.00000 0.00004 0.00000 140 2S 0.00033 0.00001 0.00001 0.00022 0.00000 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00001 0.00000 0.00001 0.00000 144 2PY 0.00000 0.00001 0.00000 0.00001 0.00000 145 2PZ 0.00000 0.00001 0.00000 0.00000 0.00000 146 3S -0.00001 -0.00002 -0.00004 0.00002 0.00000 147 3PX 0.00010 0.00006 0.00000 0.00008 0.00000 148 3PY -0.00004 0.00008 -0.00004 0.00013 0.00000 149 3PZ -0.00003 0.00006 0.00000 -0.00001 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00001 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00001 0.00000 0.00000 0.00000 156 20 O 1S -0.00001 -0.00005 -0.00009 -0.00003 0.00000 157 2S 0.00021 0.00087 0.00166 0.00057 0.00000 158 2PX 0.00162 0.00035 0.00279 0.00102 0.00000 159 2PY 0.00032 0.00028 0.00123 0.00016 0.00000 160 2PZ -0.00069 0.00138 0.00027 0.00003 0.00000 161 3S 0.00061 0.00101 0.00119 0.00077 -0.00001 162 3PX 0.00391 -0.00001 0.00080 0.00057 -0.00001 163 3PY 0.00066 0.00077 0.00085 0.00048 0.00000 164 3PZ -0.00229 0.00089 -0.00001 0.00000 0.00000 165 4XX 0.00005 0.00002 0.00001 -0.00002 0.00000 166 4YY 0.00003 0.00002 0.00010 0.00001 0.00000 167 4ZZ -0.00003 0.00002 -0.00002 -0.00001 0.00000 168 4XY 0.00004 0.00000 0.00011 -0.00003 0.00000 169 4XZ 0.00000 0.00003 0.00007 0.00000 0.00000 170 4YZ -0.00003 -0.00002 0.00002 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00001 0.00002 0.00001 0.00002 0.00000 173 2PX 0.00003 0.00007 0.00008 0.00005 0.00000 174 2PY 0.00001 0.00000 -0.00001 0.00000 0.00000 175 2PZ 0.00001 0.00002 0.00002 0.00001 0.00000 176 3S 0.00006 0.00006 -0.00004 0.00007 0.00000 177 3PX 0.00050 0.00013 0.00005 0.00004 0.00000 178 3PY -0.00001 -0.00008 -0.00009 -0.00004 0.00000 179 3PZ -0.00011 0.00001 0.00000 0.00000 0.00000 180 4XX 0.00001 0.00001 0.00002 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00001 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 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 -0.00007 -0.00001 -0.00002 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00009 0.00002 0.00001 -0.00001 0.00000 96 97 98 99 100 96 2S 0.16312 97 10 H 1S 0.00000 0.21689 98 2S 0.00000 0.11507 0.16312 99 11 C 1S 0.00017 0.00000 0.00000 2.05093 100 2S -0.00246 0.00000 0.00006 -0.01173 0.30675 101 2PX -0.00265 0.00000 0.00002 0.00000 0.00000 102 2PY -0.00439 0.00000 0.00028 0.00000 0.00000 103 2PZ -0.00188 0.00000 0.00002 0.00000 0.00000 104 3S -0.01673 0.00008 0.00133 -0.03468 0.23023 105 3PX -0.00635 0.00000 0.00008 0.00000 0.00000 106 3PY -0.00515 0.00023 0.00299 0.00000 0.00000 107 3PZ -0.00463 0.00000 0.00013 0.00000 0.00000 108 4XX -0.00017 0.00000 0.00000 -0.00136 -0.00117 109 4YY 0.00064 0.00000 0.00000 -0.00123 -0.00373 110 4ZZ -0.00018 0.00000 0.00000 -0.00136 -0.00110 111 4XY 0.00005 0.00000 0.00000 0.00000 0.00000 112 4XZ -0.00006 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00005 0.00000 0.00000 0.00000 0.00000 114 12 H 1S -0.00029 0.00000 0.00000 -0.00165 0.02726 115 2S -0.00053 0.00000 -0.00016 -0.00051 0.00973 116 13 H 1S -0.00011 0.00000 0.00000 -0.00167 0.02754 117 2S -0.00027 0.00000 -0.00010 -0.00062 0.01033 118 14 C 1S 0.00000 0.00000 0.00017 0.00000 -0.00013 119 2S 0.00006 -0.00012 -0.00247 -0.00013 0.00357 120 2PX 0.00002 -0.00015 -0.00265 0.00000 0.00000 121 2PY 0.00028 -0.00028 -0.00439 -0.00105 0.02296 122 2PZ 0.00002 -0.00011 -0.00188 0.00000 0.00000 123 3S 0.00133 -0.00433 -0.01673 0.00033 0.00284 124 3PX 0.00008 -0.00193 -0.00635 0.00000 0.00000 125 3PY 0.00299 -0.00115 -0.00515 -0.00140 0.02012 126 3PZ 0.00013 -0.00145 -0.00463 0.00000 0.00000 127 4XX 0.00000 0.00000 -0.00017 0.00000 -0.00023 128 4YY 0.00000 0.00004 0.00064 -0.00011 0.00253 129 4ZZ 0.00000 -0.00001 -0.00018 0.00000 -0.00022 130 4XY 0.00000 0.00002 0.00005 0.00000 0.00000 131 4XZ 0.00000 0.00000 -0.00006 0.00000 0.00000 132 4YZ 0.00000 0.00002 0.00005 0.00000 0.00000 133 15 H 1S 0.00000 -0.00001 -0.00029 0.00000 -0.00011 134 2S -0.00016 -0.00039 -0.00053 0.00010 -0.00181 135 16 H 1S 0.00000 0.00000 -0.00010 0.00000 -0.00013 136 2S -0.00010 -0.00016 -0.00027 0.00014 -0.00231 137 17 H 1S -0.00013 0.00000 0.00000 0.00000 0.00000 138 2S 0.00021 0.00000 -0.00004 0.00000 -0.00012 139 18 H 1S 0.00000 0.00000 -0.00013 0.00000 0.00000 140 2S -0.00004 -0.00007 0.00021 0.00000 0.00002 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00004 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00004 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 -0.00001 0.00036 0.00000 0.00000 147 3PX -0.00001 -0.00001 0.00001 0.00000 0.00000 148 3PY 0.00000 0.00000 0.00025 0.00000 0.00000 149 3PZ 0.00000 0.00000 0.00003 0.00000 0.00000 150 4XX 0.00000 0.00000 -0.00001 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00004 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00004 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00036 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00001 0.00000 -0.00001 0.00000 0.00000 163 3PY 0.00025 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00003 0.00000 0.00000 0.00000 0.00000 165 4XX -0.00001 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S -0.00001 0.00000 -0.00001 0.00000 0.00000 177 3PX -0.00002 0.00000 -0.00002 0.00000 0.00000 178 3PY -0.00003 0.00000 -0.00003 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 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 101 102 103 104 105 101 2PX 0.39946 102 2PY 0.00000 0.38112 103 2PZ 0.00000 0.00000 0.40015 104 3S 0.00000 0.00000 0.00000 0.31662 105 3PX 0.10533 0.00000 0.00000 0.00000 0.08894 106 3PY 0.00000 0.09958 0.00000 0.00000 0.00000 107 3PZ 0.00000 0.00000 0.10200 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00038 0.00000 109 4YY 0.00000 0.00000 0.00000 -0.00323 0.00000 110 4ZZ 0.00000 0.00000 0.00000 -0.00091 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 H 1S 0.00378 0.01178 0.08205 0.02945 0.00217 115 2S 0.00277 0.00736 0.05511 -0.00242 0.00261 116 13 H 1S 0.08143 0.00963 0.00595 0.03249 0.05357 117 2S 0.05295 0.00575 0.00400 0.00684 0.05341 118 14 C 1S 0.00000 -0.00105 0.00000 0.00033 0.00000 119 2S 0.00000 0.02296 0.00000 0.00284 0.00000 120 2PX 0.00014 0.00000 0.00000 0.00000 -0.00174 121 2PY 0.00000 0.07743 0.00000 0.02725 0.00000 122 2PZ 0.00000 0.00000 0.00027 0.00000 0.00000 123 3S 0.00000 0.02725 0.00000 -0.01130 0.00000 124 3PX -0.00174 0.00000 0.00000 0.00000 -0.00450 125 3PY 0.00000 0.03429 0.00000 0.01588 0.00000 126 3PZ 0.00000 0.00000 -0.00119 0.00000 0.00000 127 4XX 0.00000 -0.00059 0.00000 -0.00138 0.00000 128 4YY 0.00000 0.00253 0.00000 0.00379 0.00000 129 4ZZ 0.00000 -0.00062 0.00000 -0.00065 0.00000 130 4XY 0.00109 0.00000 0.00000 0.00000 0.00077 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00109 0.00000 0.00000 133 15 H 1S -0.00001 -0.00033 -0.00012 -0.00129 -0.00003 134 2S -0.00019 -0.00489 -0.00166 -0.00249 -0.00028 135 16 H 1S -0.00014 -0.00033 -0.00001 -0.00222 -0.00148 136 2S -0.00158 -0.00474 -0.00023 -0.00949 -0.00415 137 17 H 1S -0.00001 0.00000 0.00000 -0.00035 -0.00019 138 2S 0.00003 0.00002 0.00017 -0.00165 0.00045 139 18 H 1S 0.00000 0.00000 0.00000 0.00002 -0.00002 140 2S 0.00000 -0.00001 -0.00002 0.00065 -0.00022 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00000 0.00001 0.00000 147 3PX 0.00000 0.00000 0.00000 0.00007 0.00002 148 3PY 0.00000 0.00000 0.00000 0.00001 0.00002 149 3PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 -0.00001 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00003 0.00013 162 3PX 0.00001 0.00000 0.00000 0.00014 0.00000 163 3PY 0.00000 0.00000 0.00000 -0.00002 -0.00002 164 3PZ 0.00000 0.00000 0.00000 -0.00003 -0.00001 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00000 -0.00001 -0.00001 177 3PX 0.00000 0.00000 0.00000 0.00002 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 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 106 107 108 109 110 106 3PY 0.08740 107 3PZ 0.00000 0.08364 108 4XX 0.00000 0.00000 0.00161 109 4YY 0.00000 0.00000 -0.00013 0.00123 110 4ZZ 0.00000 0.00000 -0.00022 -0.00010 0.00156 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 H 1S 0.00757 0.05194 -0.00099 -0.00081 0.00520 115 2S 0.00718 0.05287 -0.00306 -0.00121 0.00568 116 13 H 1S 0.00703 0.00302 0.00518 -0.00087 -0.00094 117 2S 0.00609 0.00313 0.00547 -0.00158 -0.00261 118 14 C 1S -0.00140 0.00000 0.00000 -0.00011 0.00000 119 2S 0.02012 0.00000 -0.00023 0.00253 -0.00022 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.03429 0.00000 -0.00059 0.00253 -0.00062 122 2PZ 0.00000 -0.00119 0.00000 0.00000 0.00000 123 3S 0.01588 0.00000 -0.00138 0.00379 -0.00065 124 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 3PY 0.01485 0.00000 -0.00137 0.00190 -0.00137 126 3PZ 0.00000 -0.00302 0.00000 0.00000 0.00000 127 4XX -0.00137 0.00000 0.00000 -0.00001 0.00000 128 4YY 0.00190 0.00000 -0.00001 -0.00003 -0.00002 129 4ZZ -0.00137 0.00000 0.00000 -0.00002 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00071 0.00000 0.00000 0.00000 133 15 H 1S -0.00262 -0.00133 0.00000 0.00002 0.00000 134 2S -0.00791 -0.00417 0.00024 -0.00015 -0.00007 135 16 H 1S -0.00193 -0.00002 -0.00001 0.00003 0.00000 136 2S -0.00662 -0.00039 -0.00008 -0.00005 0.00021 137 17 H 1S -0.00006 -0.00020 0.00000 0.00000 0.00000 138 2S 0.00004 -0.00017 -0.00009 0.00001 0.00005 139 18 H 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 140 2S -0.00004 -0.00021 0.00001 0.00000 0.00000 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00001 0.00000 0.00000 0.00000 0.00000 147 3PX 0.00002 0.00001 0.00000 0.00000 0.00000 148 3PY 0.00001 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00001 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00002 0.00006 0.00000 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00005 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00000 0.00000 0.00000 177 3PX 0.00000 0.00001 0.00000 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 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 111 112 113 114 115 111 4XY 0.00089 112 4XZ 0.00000 0.00065 113 4YZ 0.00000 0.00000 0.00095 114 12 H 1S 0.00006 0.00045 0.00199 0.21677 115 2S 0.00002 0.00009 0.00044 0.11803 0.17241 116 13 H 1S 0.00172 0.00078 0.00010 -0.00052 -0.00875 117 2S 0.00038 0.00015 0.00003 -0.00805 -0.02613 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00010 119 2S 0.00000 0.00000 0.00000 -0.00011 -0.00182 120 2PX 0.00109 0.00000 0.00000 -0.00001 -0.00019 121 2PY 0.00000 0.00000 0.00000 -0.00033 -0.00489 122 2PZ 0.00000 0.00000 0.00109 -0.00012 -0.00166 123 3S 0.00000 0.00000 0.00000 -0.00129 -0.00249 124 3PX 0.00077 0.00000 0.00000 -0.00003 -0.00029 125 3PY 0.00000 0.00000 0.00000 -0.00262 -0.00791 126 3PZ 0.00000 0.00000 0.00071 -0.00133 -0.00417 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00024 128 4YY 0.00000 0.00000 0.00000 0.00002 -0.00015 129 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00007 130 4XY -0.00014 0.00000 0.00000 0.00000 0.00002 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 -0.00015 0.00006 0.00030 133 15 H 1S 0.00000 0.00000 0.00006 -0.00004 -0.00166 134 2S 0.00002 0.00000 0.00030 -0.00166 -0.00812 135 16 H 1S 0.00006 0.00000 0.00001 0.00000 0.00043 136 2S 0.00029 0.00000 0.00003 0.00037 0.00391 137 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00064 138 2S 0.00000 0.00001 0.00000 0.00081 0.00647 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 140 2S 0.00000 0.00000 0.00000 -0.00002 -0.00048 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 148 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00001 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00005 162 3PX 0.00000 0.00000 0.00000 0.00000 0.00014 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00006 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00000 0.00000 0.00000 177 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 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 116 117 118 119 120 116 13 H 1S 0.21519 117 2S 0.11332 0.15964 118 14 C 1S 0.00000 0.00014 2.05093 119 2S -0.00013 -0.00231 -0.01173 0.30675 120 2PX -0.00014 -0.00158 0.00000 0.00000 0.39946 121 2PY -0.00033 -0.00474 0.00000 0.00000 0.00000 122 2PZ -0.00001 -0.00023 0.00000 0.00000 0.00000 123 3S -0.00222 -0.00949 -0.03468 0.23023 0.00000 124 3PX -0.00148 -0.00415 0.00000 0.00000 0.10534 125 3PY -0.00193 -0.00662 0.00000 0.00000 0.00000 126 3PZ -0.00002 -0.00039 0.00000 0.00000 0.00000 127 4XX -0.00001 -0.00008 -0.00136 -0.00117 0.00000 128 4YY 0.00003 -0.00005 -0.00123 -0.00373 0.00000 129 4ZZ 0.00000 0.00021 -0.00136 -0.00110 0.00000 130 4XY 0.00006 0.00029 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00001 0.00003 0.00000 0.00000 0.00000 133 15 H 1S 0.00000 0.00037 -0.00165 0.02726 0.00377 134 2S 0.00043 0.00391 -0.00051 0.00973 0.00277 135 16 H 1S -0.00005 -0.00190 -0.00167 0.02754 0.08144 136 2S -0.00190 -0.00682 -0.00062 0.01033 0.05295 137 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S -0.00001 -0.00027 0.00000 0.00002 0.00000 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 140 2S 0.00000 0.00001 0.00000 -0.00012 0.00003 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3PX 0.00000 0.00000 0.00000 0.00000 0.00001 148 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 -0.00002 0.00000 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00000 0.00000 0.00000 177 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 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 121 122 123 124 125 121 2PY 0.38112 122 2PZ 0.00000 0.40015 123 3S 0.00000 0.00000 0.31660 124 3PX 0.00000 0.00000 0.00000 0.08895 125 3PY 0.09958 0.00000 0.00000 0.00000 0.08740 126 3PZ 0.00000 0.10200 0.00000 0.00000 0.00000 127 4XX 0.00000 0.00000 0.00038 0.00000 0.00000 128 4YY 0.00000 0.00000 -0.00323 0.00000 0.00000 129 4ZZ 0.00000 0.00000 -0.00091 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 H 1S 0.01178 0.08207 0.02945 0.00216 0.00756 134 2S 0.00736 0.05512 -0.00242 0.00260 0.00717 135 16 H 1S 0.00962 0.00595 0.03249 0.05358 0.00702 136 2S 0.00574 0.00400 0.00684 0.05341 0.00608 137 17 H 1S 0.00000 0.00000 0.00002 -0.00002 0.00000 138 2S -0.00001 -0.00002 0.00065 -0.00022 -0.00004 139 18 H 1S 0.00000 0.00000 -0.00035 -0.00019 -0.00006 140 2S 0.00002 0.00017 -0.00165 0.00045 0.00004 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 -0.00001 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00003 0.00013 0.00001 147 3PX 0.00000 0.00000 0.00014 0.00000 0.00002 148 3PY 0.00000 0.00000 -0.00002 -0.00002 0.00000 149 3PZ 0.00000 0.00000 -0.00003 -0.00001 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00001 0.00000 0.00001 162 3PX 0.00000 0.00000 0.00007 0.00002 0.00002 163 3PY 0.00000 0.00000 0.00001 0.00002 0.00001 164 3PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 -0.00001 -0.00001 0.00000 177 3PX 0.00000 0.00000 0.00002 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 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 126 127 128 129 130 126 3PZ 0.08364 127 4XX 0.00000 0.00161 128 4YY 0.00000 -0.00013 0.00123 129 4ZZ 0.00000 -0.00022 -0.00010 0.00156 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00089 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 H 1S 0.05195 -0.00099 -0.00081 0.00520 0.00006 134 2S 0.05288 -0.00306 -0.00121 0.00568 0.00002 135 16 H 1S 0.00302 0.00518 -0.00087 -0.00094 0.00172 136 2S 0.00313 0.00547 -0.00159 -0.00261 0.00038 137 17 H 1S -0.00001 0.00000 0.00000 0.00000 0.00000 138 2S -0.00021 0.00001 0.00000 0.00000 0.00000 139 18 H 1S -0.00020 0.00000 0.00000 0.00000 0.00000 140 2S -0.00017 -0.00009 0.00001 0.00005 0.00000 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3PX 0.00006 0.00000 0.00000 0.00000 0.00000 148 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00005 0.00000 0.00000 0.00000 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00001 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00000 0.00000 0.00000 177 3PX 0.00001 0.00000 0.00000 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 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 131 132 133 134 135 131 4XZ 0.00065 132 4YZ 0.00000 0.00095 133 15 H 1S 0.00045 0.00199 0.21677 134 2S 0.00009 0.00044 0.11803 0.17240 135 16 H 1S 0.00078 0.00010 -0.00052 -0.00875 0.21519 136 2S 0.00015 0.00003 -0.00805 -0.02613 0.11332 137 17 H 1S 0.00000 0.00000 0.00000 -0.00001 0.00000 138 2S 0.00000 0.00000 -0.00002 -0.00048 0.00000 139 18 H 1S 0.00000 0.00000 0.00000 0.00064 0.00000 140 2S 0.00001 0.00000 0.00081 0.00646 -0.00001 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00001 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00000 0.00005 0.00000 147 3PX 0.00000 0.00000 0.00000 0.00014 0.00000 148 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00000 0.00000 0.00000 -0.00006 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00000 0.00000 0.00000 177 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 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 136 137 138 139 140 136 2S 0.15964 137 17 H 1S 0.00000 0.21513 138 2S 0.00001 0.10465 0.14253 139 18 H 1S 0.00000 0.00000 -0.00011 0.21512 140 2S -0.00027 -0.00011 -0.00002 0.10465 0.14252 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00013 142 2S 0.00000 0.00000 0.00002 -0.00005 -0.00188 143 2PX 0.00000 0.00000 0.00009 -0.00002 -0.00014 144 2PY 0.00000 0.00000 0.00014 -0.00001 -0.00015 145 2PZ 0.00000 0.00000 -0.00001 -0.00014 -0.00395 146 3S 0.00000 0.00001 -0.00002 -0.00231 -0.01051 147 3PX -0.00002 0.00002 0.00085 0.00014 0.00252 148 3PY 0.00000 0.00003 0.00113 -0.00014 -0.00045 149 3PZ 0.00000 0.00001 -0.00016 -0.00334 -0.01531 150 4XX 0.00000 0.00000 0.00000 0.00002 0.00006 151 4YY 0.00000 0.00000 0.00002 0.00000 0.00015 152 4ZZ 0.00000 0.00000 0.00000 0.00005 0.00026 153 4XY 0.00000 0.00000 0.00000 0.00001 0.00002 154 4XZ 0.00000 0.00000 0.00000 0.00005 0.00006 155 4YZ 0.00000 0.00000 0.00000 0.00001 0.00004 156 20 O 1S 0.00000 0.00000 0.00013 0.00000 0.00000 157 2S 0.00000 -0.00005 -0.00188 0.00000 0.00002 158 2PX 0.00000 -0.00002 -0.00014 0.00000 0.00009 159 2PY 0.00000 -0.00001 -0.00015 0.00000 0.00014 160 2PZ 0.00000 -0.00014 -0.00395 0.00000 -0.00001 161 3S 0.00000 -0.00231 -0.01051 0.00001 -0.00002 162 3PX 0.00000 0.00014 0.00252 0.00002 0.00085 163 3PY 0.00000 -0.00014 -0.00045 0.00003 0.00113 164 3PZ 0.00000 -0.00334 -0.01531 0.00001 -0.00016 165 4XX 0.00000 0.00002 0.00006 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00015 0.00000 0.00002 167 4ZZ 0.00000 0.00005 0.00026 0.00000 0.00000 168 4XY 0.00000 0.00001 0.00002 0.00000 0.00000 169 4XZ 0.00000 0.00005 0.00006 0.00000 0.00000 170 4YZ 0.00000 0.00001 0.00004 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00019 0.00000 0.00019 173 2PX 0.00000 0.00000 0.00031 0.00000 0.00031 174 2PY 0.00000 0.00000 0.00014 0.00000 0.00014 175 2PZ 0.00000 0.00000 0.00020 0.00000 0.00020 176 3S 0.00000 0.00014 0.00130 0.00014 0.00130 177 3PX 0.00000 0.00027 0.00224 0.00027 0.00224 178 3PY 0.00000 0.00014 0.00069 0.00014 0.00069 179 3PZ 0.00000 -0.00003 -0.00005 -0.00003 -0.00005 180 4XX 0.00000 0.00000 0.00003 0.00000 0.00003 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 -0.00003 0.00000 -0.00003 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 -0.00002 0.00000 -0.00002 185 4YZ 0.00000 0.00000 -0.00001 0.00000 -0.00001 186 22 H 1S 0.00000 0.00000 -0.00001 0.00000 -0.00001 187 2S 0.00000 -0.00001 -0.00030 -0.00001 -0.00030 188 23 H 1S 0.00000 0.00000 0.00002 0.00000 0.00002 189 2S 0.00000 0.00002 0.00069 0.00002 0.00069 141 142 143 144 145 141 19 O 1S 2.07561 142 2S -0.04155 0.50274 143 2PX 0.00000 0.00000 0.61891 144 2PY 0.00000 0.00000 0.00000 0.66751 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.74389 146 3S -0.04121 0.45390 0.00000 0.00000 0.00000 147 3PX 0.00000 0.00000 0.18661 0.00000 0.00000 148 3PY 0.00000 0.00000 0.00000 0.21362 0.00000 149 3PZ 0.00000 0.00000 0.00000 0.00000 0.24767 150 4XX -0.00054 -0.00044 0.00000 0.00000 0.00000 151 4YY -0.00042 -0.00460 0.00000 0.00000 0.00000 152 4ZZ -0.00043 -0.00427 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 -0.00001 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 -0.00001 0.00000 -0.00010 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S -0.00001 0.00034 0.00000 -0.00120 0.00000 162 3PX 0.00000 0.00000 0.00018 0.00000 0.00000 163 3PY 0.00003 -0.00069 0.00000 -0.00639 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00009 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00002 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 -0.00001 -0.00009 -0.00022 -0.00001 172 2S -0.00002 0.00026 0.00486 0.01278 0.00044 173 2PX -0.00021 0.00431 0.00280 0.01956 0.00092 174 2PY -0.00042 0.00845 0.01806 0.02363 0.00241 175 2PZ -0.00003 0.00060 0.00094 0.00264 -0.00034 176 3S 0.00108 -0.01635 0.00313 0.01024 0.00013 177 3PX 0.00011 -0.00140 -0.00042 0.00692 0.00126 178 3PY -0.00016 0.00080 0.00862 0.00069 0.00080 179 3PZ 0.00004 -0.00043 0.00130 0.00105 0.00482 180 4XX 0.00001 -0.00014 -0.00045 0.00103 0.00029 181 4YY -0.00008 0.00203 0.00292 -0.00052 0.00023 182 4ZZ 0.00000 -0.00023 -0.00012 -0.00029 0.00016 183 4XY -0.00009 0.00192 0.00030 0.00429 0.00063 184 4XZ 0.00000 0.00007 0.00014 0.00043 0.00060 185 4YZ -0.00001 0.00021 0.00065 0.00050 0.00100 186 22 H 1S 0.00000 -0.00006 0.00000 -0.00004 -0.00019 187 2S 0.00008 -0.00110 0.00071 -0.00113 -0.00457 188 23 H 1S 0.00000 -0.00004 -0.00022 -0.00003 -0.00004 189 2S 0.00001 -0.00042 -0.00591 -0.00110 -0.00125 146 147 148 149 150 146 3S 0.76067 147 3PX 0.00000 0.23554 148 3PY 0.00000 0.00000 0.27450 149 3PZ 0.00000 0.00000 0.00000 0.33563 150 4XX -0.00047 0.00000 0.00000 0.00000 0.00074 151 4YY -0.01246 0.00000 0.00000 0.00000 -0.00009 152 4ZZ -0.00755 0.00000 0.00000 0.00000 0.00001 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S -0.00001 0.00000 0.00003 0.00000 0.00000 157 2S 0.00034 0.00000 -0.00069 0.00000 0.00000 158 2PX 0.00000 0.00018 0.00000 0.00000 0.00000 159 2PY -0.00120 0.00000 -0.00639 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 -0.00009 0.00000 161 3S 0.00560 0.00000 -0.00581 0.00000 0.00000 162 3PX 0.00000 0.00196 0.00000 0.00000 0.00000 163 3PY -0.00581 0.00000 -0.02512 0.00000 -0.00010 164 3PZ 0.00000 0.00000 0.00000 -0.00046 0.00000 165 4XX 0.00000 0.00000 -0.00010 0.00000 0.00000 166 4YY -0.00029 0.00000 0.00006 0.00000 0.00000 167 4ZZ 0.00001 0.00000 -0.00002 0.00000 0.00000 168 4XY 0.00000 0.00004 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 -0.00004 0.00000 171 21 C 1S 0.00079 -0.00067 -0.00307 -0.00002 -0.00001 172 2S -0.01391 0.00715 0.03008 -0.00002 0.00015 173 2PX 0.00530 -0.00185 0.02629 0.00031 -0.00040 174 2PY 0.00750 0.01886 0.01948 0.00196 -0.00013 175 2PZ 0.00095 0.00035 0.00330 -0.00369 0.00004 176 3S -0.06101 0.00328 0.02318 -0.00068 0.00066 177 3PX -0.00428 -0.00003 0.01058 0.00206 -0.00054 178 3PY -0.00380 0.01216 -0.00008 0.00064 0.00009 179 3PZ -0.00150 0.00206 0.00148 0.01139 -0.00001 180 4XX -0.00103 -0.00174 0.00219 0.00082 0.00001 181 4YY 0.00608 0.00421 -0.00090 0.00017 -0.00014 182 4ZZ -0.00190 -0.00015 -0.00117 -0.00027 0.00002 183 4XY 0.00162 0.00001 0.00175 0.00038 0.00000 184 4XZ -0.00005 -0.00003 0.00027 0.00127 -0.00001 185 4YZ 0.00003 0.00046 0.00018 0.00210 -0.00002 186 22 H 1S -0.00220 0.00067 -0.00044 -0.00420 0.00001 187 2S -0.00660 0.00501 -0.00346 -0.01726 -0.00005 188 23 H 1S -0.00132 -0.00548 -0.00051 -0.00094 0.00008 189 2S 0.00072 -0.02470 -0.00360 -0.00543 0.00050 151 152 153 154 155 151 4YY 0.00293 152 4ZZ -0.00010 0.00115 153 4XY 0.00000 0.00000 0.00154 154 4XZ 0.00000 0.00000 0.00000 0.00055 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00156 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00002 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S -0.00029 0.00001 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.00004 0.00000 0.00000 163 3PY 0.00006 -0.00002 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00004 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00003 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S -0.00016 0.00000 -0.00013 0.00000 -0.00001 172 2S 0.00282 -0.00022 0.00151 0.00003 0.00013 173 2PX 0.00333 -0.00025 0.00008 -0.00002 0.00010 174 2PY 0.00188 -0.00030 0.00119 -0.00003 -0.00003 175 2PZ 0.00040 0.00005 0.00022 0.00046 0.00064 176 3S 0.00293 -0.00014 0.00051 -0.00001 0.00005 177 3PX 0.00137 -0.00020 0.00003 0.00001 0.00004 178 3PY 0.00025 -0.00002 0.00008 -0.00003 0.00001 179 3PZ 0.00022 -0.00005 0.00007 0.00021 0.00047 180 4XX 0.00016 -0.00004 -0.00006 0.00000 0.00000 181 4YY -0.00006 -0.00004 0.00019 -0.00003 0.00002 182 4ZZ -0.00006 0.00004 -0.00002 -0.00001 0.00001 183 4XY 0.00028 -0.00007 0.00001 0.00001 0.00001 184 4XZ 0.00007 -0.00001 0.00000 -0.00001 0.00007 185 4YZ 0.00003 -0.00001 0.00005 0.00000 0.00011 186 22 H 1S 0.00000 0.00005 0.00001 0.00006 0.00003 187 2S -0.00021 0.00068 0.00002 0.00016 -0.00006 188 23 H 1S 0.00000 -0.00001 0.00002 0.00001 0.00000 189 2S -0.00032 -0.00031 -0.00016 0.00003 -0.00002 156 157 158 159 160 156 20 O 1S 2.07561 157 2S -0.04155 0.50274 158 2PX 0.00000 0.00000 0.61890 159 2PY 0.00000 0.00000 0.00000 0.66749 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.74390 161 3S -0.04121 0.45392 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.18661 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.21362 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.24768 165 4XX -0.00054 -0.00044 0.00000 0.00000 0.00000 166 4YY -0.00042 -0.00460 0.00000 0.00000 0.00000 167 4ZZ -0.00043 -0.00427 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 -0.00001 -0.00009 -0.00022 -0.00001 172 2S -0.00002 0.00026 0.00486 0.01278 0.00044 173 2PX -0.00021 0.00431 0.00280 0.01955 0.00092 174 2PY -0.00042 0.00845 0.01806 0.02363 0.00240 175 2PZ -0.00003 0.00060 0.00094 0.00264 -0.00034 176 3S 0.00108 -0.01635 0.00313 0.01024 0.00013 177 3PX 0.00011 -0.00140 -0.00042 0.00692 0.00126 178 3PY -0.00016 0.00079 0.00863 0.00069 0.00080 179 3PZ 0.00004 -0.00043 0.00130 0.00105 0.00483 180 4XX 0.00001 -0.00014 -0.00045 0.00103 0.00029 181 4YY -0.00008 0.00203 0.00292 -0.00052 0.00022 182 4ZZ 0.00000 -0.00023 -0.00012 -0.00029 0.00016 183 4XY -0.00009 0.00192 0.00030 0.00429 0.00062 184 4XZ 0.00000 0.00007 0.00014 0.00043 0.00060 185 4YZ -0.00001 0.00020 0.00065 0.00050 0.00100 186 22 H 1S 0.00000 -0.00006 0.00000 -0.00004 -0.00019 187 2S 0.00008 -0.00110 0.00071 -0.00113 -0.00457 188 23 H 1S 0.00000 -0.00004 -0.00022 -0.00003 -0.00004 189 2S 0.00001 -0.00042 -0.00591 -0.00110 -0.00126 161 162 163 164 165 161 3S 0.76072 162 3PX 0.00000 0.23555 163 3PY 0.00000 0.00000 0.27450 164 3PZ 0.00000 0.00000 0.00000 0.33564 165 4XX -0.00047 0.00000 0.00000 0.00000 0.00074 166 4YY -0.01246 0.00000 0.00000 0.00000 -0.00009 167 4ZZ -0.00755 0.00000 0.00000 0.00000 0.00001 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00079 -0.00067 -0.00307 -0.00002 -0.00001 172 2S -0.01391 0.00714 0.03007 -0.00002 0.00015 173 2PX 0.00530 -0.00185 0.02629 0.00031 -0.00040 174 2PY 0.00750 0.01886 0.01949 0.00196 -0.00013 175 2PZ 0.00095 0.00034 0.00330 -0.00369 0.00004 176 3S -0.06101 0.00328 0.02319 -0.00068 0.00066 177 3PX -0.00428 -0.00003 0.01059 0.00206 -0.00054 178 3PY -0.00380 0.01217 -0.00008 0.00063 0.00009 179 3PZ -0.00150 0.00206 0.00148 0.01139 -0.00001 180 4XX -0.00103 -0.00174 0.00219 0.00082 0.00001 181 4YY 0.00608 0.00421 -0.00089 0.00017 -0.00014 182 4ZZ -0.00190 -0.00015 -0.00117 -0.00027 0.00002 183 4XY 0.00162 0.00001 0.00175 0.00038 0.00000 184 4XZ -0.00005 -0.00003 0.00027 0.00127 -0.00001 185 4YZ 0.00003 0.00046 0.00018 0.00210 -0.00002 186 22 H 1S -0.00220 0.00066 -0.00045 -0.00420 0.00001 187 2S -0.00660 0.00501 -0.00347 -0.01725 -0.00005 188 23 H 1S -0.00132 -0.00548 -0.00051 -0.00094 0.00008 189 2S 0.00072 -0.02469 -0.00359 -0.00543 0.00050 166 167 168 169 170 166 4YY 0.00293 167 4ZZ -0.00010 0.00115 168 4XY 0.00000 0.00000 0.00154 169 4XZ 0.00000 0.00000 0.00000 0.00055 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00156 171 21 C 1S -0.00016 0.00000 -0.00013 0.00000 -0.00001 172 2S 0.00282 -0.00022 0.00151 0.00003 0.00013 173 2PX 0.00333 -0.00025 0.00008 -0.00002 0.00010 174 2PY 0.00188 -0.00030 0.00119 -0.00003 -0.00003 175 2PZ 0.00040 0.00005 0.00022 0.00046 0.00064 176 3S 0.00293 -0.00014 0.00051 -0.00001 0.00005 177 3PX 0.00137 -0.00020 0.00003 0.00001 0.00004 178 3PY 0.00025 -0.00002 0.00008 -0.00003 0.00001 179 3PZ 0.00022 -0.00005 0.00007 0.00021 0.00047 180 4XX 0.00016 -0.00004 -0.00006 0.00000 0.00000 181 4YY -0.00006 -0.00004 0.00019 -0.00003 0.00002 182 4ZZ -0.00006 0.00004 -0.00002 -0.00001 0.00001 183 4XY 0.00028 -0.00007 0.00001 0.00001 0.00001 184 4XZ 0.00007 -0.00001 0.00000 -0.00001 0.00007 185 4YZ 0.00003 -0.00001 0.00005 0.00000 0.00011 186 22 H 1S 0.00000 0.00005 0.00001 0.00006 0.00003 187 2S -0.00021 0.00068 0.00002 0.00016 -0.00006 188 23 H 1S 0.00000 -0.00001 0.00002 0.00001 0.00000 189 2S -0.00032 -0.00031 -0.00016 0.00003 -0.00002 171 172 173 174 175 171 21 C 1S 2.04988 172 2S -0.01438 0.34507 173 2PX 0.00000 0.00000 0.38990 174 2PY 0.00000 0.00000 0.00000 0.29479 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.46074 176 3S -0.02752 0.21128 0.00000 0.00000 0.00000 177 3PX 0.00000 0.00000 0.07400 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.04064 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.09175 180 4XX -0.00134 -0.00129 0.00000 0.00000 0.00000 181 4YY -0.00104 -0.00714 0.00000 0.00000 0.00000 182 4ZZ -0.00144 0.00069 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S -0.00195 0.03454 0.00451 0.00000 0.09810 187 2S -0.00120 0.01835 0.00137 0.00000 0.05859 188 23 H 1S -0.00180 0.03145 0.06346 0.00000 0.03569 189 2S -0.00075 0.01103 0.03861 0.00000 0.02493 176 177 178 179 180 176 3S 0.23163 177 3PX 0.00000 0.05548 178 3PY 0.00000 0.00000 0.02777 179 3PZ 0.00000 0.00000 0.00000 0.06559 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00243 181 4YY -0.00789 0.00000 0.00000 0.00000 -0.00038 182 4ZZ 0.00298 0.00000 0.00000 0.00000 -0.00021 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.03952 0.00465 0.00000 0.04426 -0.00138 187 2S 0.02206 0.00352 0.00000 0.03578 -0.00403 188 23 H 1S 0.04237 0.02812 0.00000 0.01373 0.00400 189 2S 0.02201 0.01756 0.00000 0.00990 0.00634 181 182 183 184 185 181 4YY 0.00355 182 4ZZ -0.00054 0.00259 183 4XY 0.00000 0.00000 0.00351 184 4XZ 0.00000 0.00000 0.00000 0.00234 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00183 186 22 H 1S -0.00137 0.00799 0.00000 0.00139 0.00000 187 2S -0.00220 0.00714 0.00000 0.00042 0.00000 188 23 H 1S -0.00149 -0.00043 0.00000 0.00467 0.00000 189 2S -0.00354 -0.00223 0.00000 0.00131 0.00000 186 187 188 189 186 22 H 1S 0.22384 187 2S 0.11187 0.15546 188 23 H 1S -0.00071 -0.01130 0.22402 189 2S -0.01251 -0.04312 0.12519 0.21157 Gross orbital populations: 1 1 1 C 1S 1.99196 2 2S 0.70788 3 2PX 0.60695 4 2PY 0.74878 5 2PZ 0.72130 6 3S 0.49775 7 3PX 0.40282 8 3PY 0.20002 9 3PZ 0.21532 10 4XX -0.01975 11 4YY 0.00166 12 4ZZ 0.00312 13 4XY 0.00646 14 4XZ 0.00532 15 4YZ 0.01200 16 2 C 1S 1.99262 17 2S 0.70375 18 2PX 0.60224 19 2PY 0.72573 20 2PZ 0.69719 21 3S 0.58678 22 3PX 0.33974 23 3PY 0.24541 24 3PZ 0.24617 25 4XX -0.01607 26 4YY 0.01166 27 4ZZ -0.00554 28 4XY 0.00345 29 4XZ 0.00783 30 4YZ 0.00693 31 3 C 1S 1.99262 32 2S 0.70375 33 2PX 0.60226 34 2PY 0.72574 35 2PZ 0.69717 36 3S 0.58679 37 3PX 0.33970 38 3PY 0.24544 39 3PZ 0.24617 40 4XX -0.01606 41 4YY 0.01166 42 4ZZ -0.00554 43 4XY 0.00345 44 4XZ 0.00783 45 4YZ 0.00693 46 4 C 1S 1.99196 47 2S 0.70788 48 2PX 0.60696 49 2PY 0.74878 50 2PZ 0.72129 51 3S 0.49775 52 3PX 0.40282 53 3PY 0.20001 54 3PZ 0.21532 55 4XX -0.01975 56 4YY 0.00166 57 4ZZ 0.00313 58 4XY 0.00646 59 4XZ 0.00532 60 4YZ 0.01200 61 5 H 1S 0.53326 62 2S 0.34344 63 6 H 1S 0.53326 64 2S 0.34344 65 7 C 1S 1.99220 66 2S 0.70368 67 2PX 0.60645 68 2PY 0.75456 69 2PZ 0.64392 70 3S 0.48906 71 3PX 0.27376 72 3PY 0.17606 73 3PZ 0.24778 74 4XX -0.00674 75 4YY 0.00492 76 4ZZ -0.00147 77 4XY 0.01211 78 4XZ 0.01183 79 4YZ 0.01347 80 8 C 1S 1.99220 81 2S 0.70368 82 2PX 0.60645 83 2PY 0.75458 84 2PZ 0.64390 85 3S 0.48908 86 3PX 0.27374 87 3PY 0.17608 88 3PZ 0.24779 89 4XX -0.00674 90 4YY 0.00492 91 4ZZ -0.00147 92 4XY 0.01211 93 4XZ 0.01183 94 4YZ 0.01347 95 9 H 1S 0.53316 96 2S 0.34211 97 10 H 1S 0.53316 98 2S 0.34212 99 11 C 1S 1.99218 100 2S 0.68146 101 2PX 0.70887 102 2PY 0.68425 103 2PZ 0.71024 104 3S 0.58576 105 3PX 0.31161 106 3PY 0.27243 107 3PZ 0.30474 108 4XX 0.00442 109 4YY -0.00230 110 4ZZ 0.00462 111 4XY 0.00713 112 4XZ 0.00536 113 4YZ 0.00752 114 12 H 1S 0.53342 115 2S 0.33924 116 13 H 1S 0.52925 117 2S 0.32172 118 14 C 1S 1.99218 119 2S 0.68146 120 2PX 0.70886 121 2PY 0.68425 122 2PZ 0.71024 123 3S 0.58577 124 3PX 0.31163 125 3PY 0.27241 126 3PZ 0.30475 127 4XX 0.00442 128 4YY -0.00230 129 4ZZ 0.00462 130 4XY 0.00713 131 4XZ 0.00535 132 4YZ 0.00752 133 15 H 1S 0.53342 134 2S 0.33923 135 16 H 1S 0.52925 136 2S 0.32172 137 17 H 1S 0.52886 138 2S 0.31107 139 18 H 1S 0.52886 140 2S 0.31107 141 19 O 1S 1.99235 142 2S 0.89849 143 2PX 0.90460 144 2PY 0.96627 145 2PZ 1.04402 146 3S 1.01129 147 3PX 0.48631 148 3PY 0.56110 149 3PZ 0.60066 150 4XX 0.00299 151 4YY -0.00142 152 4ZZ -0.00756 153 4XY 0.00877 154 4XZ 0.00462 155 4YZ 0.00584 156 20 O 1S 1.99235 157 2S 0.89849 158 2PX 0.90459 159 2PY 0.96624 160 2PZ 1.04403 161 3S 1.01133 162 3PX 0.48632 163 3PY 0.56110 164 3PZ 0.60068 165 4XX 0.00299 166 4YY -0.00142 167 4ZZ -0.00756 168 4XY 0.00877 169 4XZ 0.00462 170 4YZ 0.00583 171 21 C 1S 1.99194 172 2S 0.71161 173 2PX 0.67629 174 2PY 0.53364 175 2PZ 0.77484 176 3S 0.44898 177 3PX 0.18877 178 3PY 0.10122 179 3PZ 0.28847 180 4XX 0.00761 181 4YY 0.00402 182 4ZZ 0.01050 183 4XY 0.02513 184 4XZ 0.01634 185 4YZ 0.01270 186 22 H 1S 0.54104 187 2S 0.30637 188 23 H 1S 0.54065 189 2S 0.33335 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 4.863714 0.567575 -0.040449 0.513833 0.366953 -0.050069 2 C 0.567575 4.996726 -0.023077 -0.040454 -0.049076 0.005863 3 C -0.040449 -0.023077 4.996762 0.567561 0.005863 -0.049075 4 C 0.513833 -0.040454 0.567561 4.863744 -0.050069 0.366954 5 H 0.366953 -0.049076 0.005863 -0.050069 0.612031 -0.007056 6 H -0.050069 0.005863 -0.049075 0.366954 -0.007056 0.612029 7 C -0.014269 0.108657 -0.005100 -0.027140 0.000047 0.000247 8 C -0.027133 -0.005092 0.108679 -0.014285 0.000247 0.000046 9 H 0.007059 0.000197 0.361728 -0.038390 -0.000146 -0.007911 10 H -0.038391 0.361729 0.000197 0.007059 -0.007911 -0.000146 11 C -0.030117 -0.035091 0.371235 -0.024795 -0.000116 0.005622 12 H 0.000899 0.001629 -0.037712 0.003490 0.000016 -0.000185 13 H 0.001827 0.002205 -0.034286 -0.005806 -0.000002 -0.000064 14 C -0.024797 0.371244 -0.035090 -0.030117 0.005622 -0.000116 15 H 0.003489 -0.037705 0.001629 0.000899 -0.000185 0.000016 16 H -0.005807 -0.034293 0.002205 0.001827 -0.000064 -0.000002 17 H 0.001155 0.001566 -0.025393 -0.000241 0.000012 -0.000105 18 H -0.000242 -0.025379 0.001567 0.001155 -0.000105 0.000012 19 O 0.001625 -0.020433 -0.000063 0.002495 0.000454 -0.000013 20 O 0.002493 -0.000063 -0.020447 0.001625 -0.000013 0.000455 21 C 0.002093 0.001061 0.001062 0.002094 0.000109 0.000109 22 H -0.000026 0.000223 0.000223 -0.000027 0.000087 0.000087 23 H 0.000173 -0.000104 -0.000104 0.000173 0.000002 0.000002 7 8 9 10 11 12 1 C -0.014269 -0.027133 0.007059 -0.038391 -0.030117 0.000899 2 C 0.108657 -0.005092 0.000197 0.361729 -0.035091 0.001629 3 C -0.005100 0.108679 0.361728 0.000197 0.371235 -0.037712 4 C -0.027140 -0.014285 -0.038390 0.007059 -0.024795 0.003490 5 H 0.000047 0.000247 -0.000146 -0.007911 -0.000116 0.000016 6 H 0.000247 0.000046 -0.007911 -0.000146 0.005622 -0.000185 7 C 4.925819 0.511385 0.000945 -0.008921 -0.008677 0.000464 8 C 0.511385 4.925865 -0.008929 0.000944 -0.016338 -0.005290 9 H 0.000945 -0.008929 0.610151 -0.000003 -0.053191 -0.001211 10 H -0.008921 0.000944 -0.000003 0.610156 0.005215 -0.000165 11 C -0.008677 -0.016338 -0.053191 0.005215 5.075095 0.356909 12 H 0.000464 -0.005290 -0.001211 -0.000165 0.356909 0.625250 13 H 0.000388 0.002107 -0.000543 -0.000109 0.368641 -0.043449 14 C -0.016321 -0.008675 0.005215 -0.053192 0.329146 -0.028744 15 H -0.005286 0.000464 -0.000165 -0.001212 -0.028743 -0.011487 16 H 0.002106 0.000388 -0.000109 -0.000541 -0.035155 0.004711 17 H -0.045552 0.363407 0.000006 -0.000045 -0.002067 0.007916 18 H 0.363413 -0.045553 -0.000045 0.000007 0.000178 -0.000511 19 O 0.232657 -0.040901 -0.000014 0.000694 0.000172 -0.000004 20 O -0.040899 0.232638 0.000695 -0.000014 0.000367 0.000142 21 C -0.062518 -0.062513 -0.000074 -0.000074 0.000003 -0.000011 22 H 0.005087 0.005086 0.000003 0.000003 -0.000003 -0.000001 23 H 0.005054 0.005053 0.000000 0.000000 0.000003 0.000001 13 14 15 16 17 18 1 C 0.001827 -0.024797 0.003489 -0.005807 0.001155 -0.000242 2 C 0.002205 0.371244 -0.037705 -0.034293 0.001566 -0.025379 3 C -0.034286 -0.035090 0.001629 0.002205 -0.025393 0.001567 4 C -0.005806 -0.030117 0.000899 0.001827 -0.000241 0.001155 5 H -0.000002 0.005622 -0.000185 -0.000064 0.000012 -0.000105 6 H -0.000064 -0.000116 0.000016 -0.000002 -0.000105 0.000012 7 C 0.000388 -0.016321 -0.005286 0.002106 -0.045552 0.363413 8 C 0.002107 -0.008675 0.000464 0.000388 0.363407 -0.045553 9 H -0.000543 0.005215 -0.000165 -0.000109 0.000006 -0.000045 10 H -0.000109 -0.053192 -0.001212 -0.000541 -0.000045 0.000007 11 C 0.368641 0.329146 -0.028743 -0.035155 -0.002067 0.000178 12 H -0.043449 -0.028744 -0.011487 0.004711 0.007916 -0.000511 13 H 0.601469 -0.035152 0.004711 -0.010679 -0.000275 0.000014 14 C -0.035152 5.075070 0.356911 0.368646 0.000177 -0.002065 15 H 0.004711 0.356911 0.625239 -0.043449 -0.000511 0.007909 16 H -0.010679 0.368646 -0.043449 0.601470 0.000014 -0.000275 17 H -0.000275 0.000177 -0.000511 0.000014 0.566964 -0.000241 18 H 0.000014 -0.002065 0.007909 -0.000275 -0.000241 0.566948 19 O -0.000001 0.000367 0.000142 -0.000024 0.002095 -0.034867 20 O -0.000024 0.000172 -0.000004 -0.000001 -0.034866 0.002095 21 C 0.000000 0.000003 -0.000011 0.000000 0.005511 0.005511 22 H 0.000000 -0.000003 -0.000001 0.000000 -0.000316 -0.000316 23 H 0.000000 0.000003 0.000001 0.000000 0.000722 0.000722 19 20 21 22 23 1 C 0.001625 0.002493 0.002093 -0.000026 0.000173 2 C -0.020433 -0.000063 0.001061 0.000223 -0.000104 3 C -0.000063 -0.020447 0.001062 0.000223 -0.000104 4 C 0.002495 0.001625 0.002094 -0.000027 0.000173 5 H 0.000454 -0.000013 0.000109 0.000087 0.000002 6 H -0.000013 0.000455 0.000109 0.000087 0.000002 7 C 0.232657 -0.040899 -0.062518 0.005087 0.005054 8 C -0.040901 0.232638 -0.062513 0.005086 0.005053 9 H -0.000014 0.000695 -0.000074 0.000003 0.000000 10 H 0.000694 -0.000014 -0.000074 0.000003 0.000000 11 C 0.000172 0.000367 0.000003 -0.000003 0.000003 12 H -0.000004 0.000142 -0.000011 -0.000001 0.000001 13 H -0.000001 -0.000024 0.000000 0.000000 0.000000 14 C 0.000367 0.000172 0.000003 -0.000003 0.000003 15 H 0.000142 -0.000004 -0.000011 -0.000001 0.000001 16 H -0.000024 -0.000001 0.000000 0.000000 0.000000 17 H 0.002095 -0.034866 0.005511 -0.000316 0.000722 18 H -0.034867 0.002095 0.005511 -0.000316 0.000722 19 O 8.198840 -0.046024 0.265683 -0.034073 -0.050483 20 O -0.046024 8.198913 0.265663 -0.034073 -0.050475 21 C 0.265683 0.265663 4.653410 0.370049 0.344919 22 H -0.034073 -0.034073 0.370049 0.603042 -0.067638 23 H -0.050483 -0.050475 0.344919 -0.067638 0.685975 Mulliken charges: 1 1 C -0.101588 2 C -0.147907 3 C -0.147912 4 C -0.101585 5 H 0.123301 6 H 0.123301 7 C 0.078415 8 C 0.078399 9 H 0.124730 10 H 0.124722 11 C -0.278291 12 H 0.127343 13 H 0.149027 14 C -0.278302 15 H 0.127349 16 H 0.149031 17 H 0.160067 18 H 0.160068 19 O -0.478322 20 O -0.478354 21 C 0.207918 22 H 0.152585 23 H 0.126005 Sum of Mulliken charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C 0.021713 2 C -0.023185 3 C -0.023181 4 C 0.021716 7 C 0.238483 8 C 0.238466 11 C -0.001921 14 C -0.001922 19 O -0.478322 20 O -0.478354 21 C 0.486508 APT charges: 1 1 C -0.068025 2 C 0.096360 3 C 0.096361 4 C -0.068073 5 H 0.007988 6 H 0.007990 7 C 0.311542 8 C 0.311511 9 H -0.023337 10 H -0.023350 11 C 0.094289 12 H -0.045914 13 H -0.051912 14 C 0.094279 15 H -0.045908 16 H -0.051912 17 H 0.010279 18 H 0.010275 19 O -0.647160 20 O -0.647111 21 C 0.812956 22 H -0.052726 23 H -0.128403 Sum of APT charges = 0.00000 APT charges with hydrogens summed into heavy atoms: 1 1 C -0.060038 2 C 0.073010 3 C 0.073024 4 C -0.060082 7 C 0.321817 8 C 0.321790 11 C -0.003537 14 C -0.003542 19 O -0.647160 20 O -0.647111 21 C 0.631827 Electronic spatial extent (au): = 1485.1838 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.1277 Y= 0.0000 Z= -1.0842 Tot= 1.0917 Quadrupole moment (field-independent basis, Debye-Ang): XX= -63.5567 YY= -66.3029 ZZ= -62.1438 XY= 0.0005 XZ= -2.8235 YZ= -0.0005 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 0.4444 YY= -2.3017 ZZ= 1.8573 XY= 0.0005 XZ= -2.8235 YZ= -0.0005 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -28.7730 YYY= 0.0003 ZZZ= -0.9009 XYY= 4.0794 XXY= -0.0019 XXZ= 0.4492 XZZ= -11.0201 YZZ= -0.0017 YYZ= -2.8064 XYZ= 0.0012 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1039.9191 YYYY= -453.5169 ZZZZ= -374.8152 XXXY= 0.0081 XXXZ= -18.8644 YYYX= -0.0019 YYYZ= -0.0003 ZZZX= -10.3957 ZZZY= 0.0022 XXYY= -281.2269 XXZZ= -255.2299 YYZZ= -134.4998 XXYZ= -0.0007 YYXZ= -1.1856 ZZXY= 0.0000 N-N= 6.491440056886D+02 E-N=-2.463395817346D+03 KE= 4.958692654972D+02 Orbital energies and kinetic energies (alpha): 1 2 1 O -19.168149 29.026257 2 O -19.168139 29.026363 3 O -10.286018 15.888299 4 O -10.237376 15.880866 5 O -10.236769 15.892190 6 O -10.185786 15.881676 7 O -10.185616 15.887771 8 O -10.184999 15.891292 9 O -10.184984 15.885123 10 O -10.169179 15.876564 11 O -10.168690 15.886139 12 O -1.102109 2.290456 13 O -1.006399 2.783782 14 O -0.830584 1.393775 15 O -0.761095 1.732924 16 O -0.735993 1.473514 17 O -0.729961 1.511909 18 O -0.641461 1.871418 19 O -0.607845 1.695538 20 O -0.606734 1.506329 21 O -0.585296 1.405903 22 O -0.528806 1.344203 23 O -0.500670 1.235697 24 O -0.494694 0.988508 25 O -0.470844 1.372462 26 O -0.453092 1.129643 27 O -0.451443 1.558083 28 O -0.439885 1.455834 29 O -0.408474 1.373777 30 O -0.397520 1.222885 31 O -0.388482 1.335048 32 O -0.379526 1.738299 33 O -0.362686 1.577648 34 O -0.351211 2.029737 35 O -0.345824 1.372092 36 O -0.328486 2.079985 37 O -0.322521 1.475111 38 O -0.317249 1.376131 39 O -0.274648 1.485749 40 O -0.196484 1.364431 41 O -0.190523 1.731220 42 V -0.004622 1.485913 43 V 0.015429 1.609505 44 V 0.081002 0.915254 45 V 0.109307 1.687694 46 V 0.112674 1.183818 47 V 0.119658 0.934102 48 V 0.130575 1.027776 49 V 0.133831 1.168438 50 V 0.145672 1.769731 51 V 0.154503 1.476375 52 V 0.169648 1.340569 53 V 0.171646 1.166231 54 V 0.175194 1.480420 55 V 0.180017 1.673765 56 V 0.197234 1.280037 57 V 0.202999 1.210228 58 V 0.212517 2.247473 59 V 0.242897 1.377350 60 V 0.243183 1.426395 61 V 0.247892 1.298396 62 V 0.305768 1.659874 63 V 0.317431 1.461577 64 V 0.328663 1.784583 65 V 0.375847 2.420417 66 V 0.435524 1.974849 67 V 0.470782 1.836082 68 V 0.482679 1.849475 69 V 0.487323 1.723649 70 V 0.505738 1.943786 71 V 0.530411 2.088330 72 V 0.534107 2.109445 73 V 0.546824 2.682776 74 V 0.570172 2.010547 75 V 0.573646 2.105219 76 V 0.582494 1.892984 77 V 0.582918 2.333052 78 V 0.605968 2.037512 79 V 0.626453 1.941507 80 V 0.646686 2.544739 81 V 0.651716 2.585714 82 V 0.680281 2.396435 83 V 0.691767 2.207363 84 V 0.725480 2.419993 85 V 0.738152 2.502925 86 V 0.747071 2.102194 87 V 0.763054 2.595473 88 V 0.804861 2.689981 89 V 0.813008 2.493181 90 V 0.824744 2.636385 91 V 0.835673 2.550307 92 V 0.847824 2.543971 93 V 0.849115 2.717502 94 V 0.859132 2.467491 95 V 0.866605 2.758922 96 V 0.882315 2.477222 97 V 0.888053 2.763377 98 V 0.891083 2.716589 99 V 0.897255 2.420998 100 V 0.904022 2.640311 101 V 0.919493 2.645932 102 V 0.950562 2.581727 103 V 0.962271 2.723162 104 V 0.973373 2.502481 105 V 0.985599 2.702286 106 V 1.011338 2.626574 107 V 1.053429 2.444076 108 V 1.076141 2.863364 109 V 1.120399 2.670385 110 V 1.129685 2.448635 111 V 1.140314 2.491350 112 V 1.148122 2.912375 113 V 1.199602 2.731494 114 V 1.202989 2.410052 115 V 1.251524 2.443010 116 V 1.289954 2.615063 117 V 1.314303 3.087866 118 V 1.329332 2.513739 119 V 1.399909 2.550933 120 V 1.415035 2.593766 121 V 1.441391 2.613856 122 V 1.462966 2.614738 123 V 1.486721 2.665757 124 V 1.533130 2.751254 125 V 1.563907 2.815436 126 V 1.584149 2.784706 127 V 1.628986 2.826446 128 V 1.644044 2.794696 129 V 1.679811 2.874999 130 V 1.732446 2.883952 131 V 1.746846 2.873355 132 V 1.759793 3.108723 133 V 1.792177 3.008128 134 V 1.857993 3.081148 135 V 1.870875 3.167655 136 V 1.893836 3.375157 137 V 1.898626 3.265949 138 V 1.944163 3.272812 139 V 1.961289 3.454042 140 V 1.963136 3.440098 141 V 1.988867 3.731163 142 V 2.013185 3.677477 143 V 2.015464 3.676489 144 V 2.023228 3.500480 145 V 2.059287 3.569039 146 V 2.077819 3.498437 147 V 2.098784 3.469644 148 V 2.113554 3.535490 149 V 2.181187 3.674540 150 V 2.183679 3.631461 151 V 2.237855 3.551336 152 V 2.261896 3.625819 153 V 2.278269 3.581074 154 V 2.279632 3.533983 155 V 2.316283 3.724505 156 V 2.318617 3.591502 157 V 2.372400 3.754118 158 V 2.414593 3.847208 159 V 2.448610 3.809426 160 V 2.459891 3.794902 161 V 2.464056 3.874358 162 V 2.482319 3.840128 163 V 2.510886 4.035237 164 V 2.550382 3.953478 165 V 2.590762 4.382776 166 V 2.633652 4.414831 167 V 2.648749 4.252936 168 V 2.674128 4.230533 169 V 2.691907 4.389543 170 V 2.701522 4.314777 171 V 2.754778 4.306911 172 V 2.767553 4.287510 173 V 2.803455 4.638568 174 V 2.888697 4.501867 175 V 2.896769 4.660120 176 V 2.943394 4.756900 177 V 3.132755 4.935492 178 V 3.137583 4.878396 179 V 4.011837 10.923766 180 V 4.124328 10.774149 181 V 4.127728 10.127336 182 V 4.223107 10.317866 183 V 4.288375 10.231860 184 V 4.360764 10.435634 185 V 4.379902 10.329709 186 V 4.448622 10.394597 187 V 4.509000 10.502714 188 V 4.603251 10.567462 189 V 4.870950 11.529644 Total kinetic energy from orbitals= 4.958692654972D+02 Exact polarizability: 113.357 -0.001 96.187 1.771 0.000 95.221 Approx polarizability: 162.475 -0.004 175.999 16.890 0.004 166.124 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 --- -520.8966 -6.4366 -4.6452 -4.5317 -0.0006 0.0006 Low frequencies --- 0.0007 65.8915 111.2337 ****** 1 imaginary frequencies (negative Signs) ****** Diagonal vibrational polarizability: 12.1836147 6.7636647 5.4455753 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 -- -520.8966 65.8809 111.2330 Red. masses -- 7.0570 3.4202 2.2879 Frc consts -- 1.1282 0.0087 0.0167 IR Inten -- 0.5109 0.3413 1.2848 Atom AN X Y Z X Y Z X Y Z 1 6 0.01 -0.06 -0.03 0.08 -0.09 -0.01 -0.07 0.00 -0.02 2 6 0.28 -0.09 0.21 0.12 -0.04 -0.03 -0.03 0.00 -0.01 3 6 0.28 0.09 0.21 -0.12 -0.04 0.03 -0.03 0.00 -0.01 4 6 0.01 0.06 -0.03 -0.08 -0.09 0.01 -0.07 0.00 -0.02 5 1 -0.20 0.00 -0.10 0.16 -0.15 -0.02 -0.11 0.00 -0.04 6 1 -0.20 0.00 -0.10 -0.16 -0.15 0.02 -0.11 0.00 -0.04 7 6 -0.28 0.10 -0.23 -0.03 -0.08 0.07 0.00 0.00 -0.06 8 6 -0.28 -0.10 -0.23 0.03 -0.08 -0.07 0.00 0.00 -0.06 9 1 0.13 0.06 0.10 -0.21 -0.05 0.05 -0.03 0.00 -0.02 10 1 0.13 -0.06 0.10 0.21 -0.05 -0.05 -0.03 0.00 -0.02 11 6 0.00 0.00 0.01 0.02 0.07 0.11 0.02 0.00 0.04 12 1 -0.11 0.01 0.03 0.20 0.21 0.13 0.06 0.00 0.03 13 1 0.06 -0.02 -0.15 -0.01 0.01 0.33 0.01 0.00 0.08 14 6 0.00 0.00 0.01 -0.02 0.07 -0.11 0.02 0.00 0.04 15 1 -0.11 -0.01 0.03 -0.20 0.21 -0.13 0.06 0.00 0.03 16 1 0.06 0.02 -0.15 0.01 0.01 -0.33 0.01 0.00 0.08 17 1 0.21 0.16 0.19 0.08 -0.19 -0.14 0.00 0.00 -0.06 18 1 0.21 -0.16 0.19 -0.08 -0.19 0.14 0.00 0.00 -0.06 19 8 -0.01 0.00 0.02 -0.01 0.06 0.17 0.00 -0.01 -0.08 20 8 -0.01 0.00 0.02 0.01 0.06 -0.17 0.00 0.01 -0.08 21 6 -0.02 0.00 0.02 0.00 0.11 0.00 0.13 0.00 0.24 22 1 -0.03 0.00 0.01 0.00 0.26 0.00 0.55 0.00 0.35 23 1 -0.01 0.00 -0.01 0.00 0.03 0.00 -0.13 0.00 0.62 4 5 6 A A A Frequencies -- 131.8487 162.6182 167.6874 Red. masses -- 4.4025 2.6034 4.6546 Frc consts -- 0.0451 0.0406 0.0771 IR Inten -- 0.0283 0.0368 1.0871 Atom AN X Y Z X Y Z X Y Z 1 6 0.08 -0.04 0.04 0.04 0.09 0.03 0.22 0.00 0.13 2 6 0.24 -0.10 0.12 0.03 0.02 0.06 0.03 0.00 0.08 3 6 -0.24 -0.10 -0.12 -0.03 0.02 -0.06 0.03 0.00 0.08 4 6 -0.08 -0.04 -0.04 -0.03 0.09 -0.03 0.22 0.00 0.13 5 1 0.13 -0.04 0.07 0.09 0.10 0.07 0.37 0.00 0.21 6 1 -0.13 -0.04 -0.07 -0.09 0.10 -0.07 0.37 0.00 0.21 7 6 -0.07 0.05 -0.07 -0.04 -0.04 -0.03 0.03 0.00 0.05 8 6 0.07 0.05 0.07 0.04 -0.04 0.03 0.03 0.00 0.05 9 1 -0.32 -0.11 -0.16 -0.05 0.02 -0.13 0.03 0.00 0.10 10 1 0.32 -0.11 0.16 0.05 0.02 0.13 0.03 0.00 0.10 11 6 -0.14 -0.02 -0.08 0.11 -0.01 0.09 -0.08 0.00 -0.03 12 1 -0.22 -0.16 -0.11 0.40 0.13 0.09 -0.19 0.00 -0.01 13 1 -0.20 0.18 -0.12 0.09 -0.18 0.39 -0.05 0.00 -0.14 14 6 0.14 -0.02 0.08 -0.11 -0.01 -0.09 -0.08 0.00 -0.03 15 1 0.22 -0.16 0.11 -0.41 0.13 -0.09 -0.18 0.00 -0.01 16 1 0.20 0.18 0.12 -0.10 -0.18 -0.39 -0.05 0.00 -0.14 17 1 0.00 0.04 0.03 0.00 -0.04 0.01 0.13 -0.02 0.07 18 1 0.00 0.04 -0.03 0.01 -0.04 -0.01 0.13 0.02 0.07 19 8 -0.06 0.05 -0.10 -0.09 -0.05 -0.12 -0.14 -0.02 -0.20 20 8 0.06 0.05 0.10 0.09 -0.05 0.12 -0.14 0.02 -0.20 21 6 0.00 0.08 0.00 0.00 -0.01 0.00 -0.06 0.00 0.01 22 1 0.00 0.00 0.00 0.00 -0.09 0.00 0.21 0.00 0.08 23 1 0.00 0.17 0.00 0.00 0.11 0.00 -0.23 0.00 0.26 7 8 9 A A A Frequencies -- 232.5547 264.5666 391.1494 Red. masses -- 4.1721 4.1078 3.2720 Frc consts -- 0.1329 0.1694 0.2950 IR Inten -- 0.0749 0.7801 3.5606 Atom AN X Y Z X Y Z X Y Z 1 6 -0.05 -0.01 -0.03 0.05 0.01 -0.08 -0.16 0.01 -0.05 2 6 -0.07 0.06 -0.07 0.05 0.01 -0.09 0.14 -0.01 0.04 3 6 0.07 0.06 0.07 0.05 -0.01 -0.09 0.14 0.01 0.04 4 6 0.05 -0.01 0.03 0.05 -0.01 -0.08 -0.16 -0.01 -0.05 5 1 -0.08 -0.02 -0.06 0.01 0.01 -0.10 -0.33 -0.02 -0.16 6 1 0.08 -0.02 0.06 0.01 -0.01 -0.10 -0.33 0.02 -0.16 7 6 -0.08 -0.18 0.03 -0.08 -0.01 0.07 0.11 0.00 0.17 8 6 0.08 -0.18 -0.03 -0.08 0.01 0.07 0.11 0.00 0.17 9 1 0.01 0.05 0.13 0.06 -0.01 -0.11 0.25 0.03 0.08 10 1 -0.01 0.05 -0.13 0.06 0.01 -0.11 0.25 -0.03 0.08 11 6 -0.05 0.12 -0.06 0.24 0.00 0.07 0.01 -0.01 -0.10 12 1 -0.28 0.05 -0.04 0.43 0.00 0.03 -0.19 -0.01 -0.06 13 1 -0.02 0.21 -0.29 0.18 0.01 0.29 0.05 0.02 -0.30 14 6 0.05 0.12 0.06 0.24 0.00 0.07 0.01 0.01 -0.10 15 1 0.28 0.05 0.04 0.43 0.00 0.03 -0.19 0.01 -0.06 16 1 0.02 0.21 0.29 0.18 -0.01 0.28 0.05 -0.02 -0.30 17 1 0.15 -0.25 -0.05 -0.13 -0.03 0.02 0.16 -0.03 0.17 18 1 -0.15 -0.25 0.05 -0.13 0.03 0.02 0.16 0.03 0.17 19 8 -0.20 -0.05 -0.04 -0.16 0.00 0.00 -0.05 -0.01 -0.04 20 8 0.20 -0.05 0.04 -0.16 0.00 0.00 -0.05 0.01 -0.04 21 6 0.00 0.10 0.00 -0.15 0.00 0.03 -0.03 0.00 0.01 22 1 0.00 0.13 0.00 -0.10 0.00 0.05 0.02 0.00 0.03 23 1 0.00 0.27 0.00 -0.18 0.00 0.08 -0.08 0.00 0.07 10 11 12 A A A Frequencies -- 527.5318 549.2844 582.5810 Red. masses -- 3.2821 5.4810 3.8362 Frc consts -- 0.5382 0.9743 0.7671 IR Inten -- 3.0244 0.0083 1.1320 Atom AN X Y Z X Y Z X Y Z 1 6 0.23 -0.03 0.08 0.07 0.18 -0.20 -0.12 -0.03 -0.03 2 6 -0.09 0.02 -0.05 0.08 0.06 -0.16 0.07 -0.03 0.04 3 6 0.09 0.02 0.05 -0.08 0.06 0.16 -0.07 -0.03 -0.04 4 6 -0.23 -0.03 -0.08 -0.07 0.18 0.20 0.12 -0.03 0.02 5 1 0.52 -0.08 0.21 0.04 0.02 -0.31 -0.28 0.00 -0.09 6 1 -0.52 -0.08 -0.21 -0.04 0.02 0.31 0.28 -0.01 0.09 7 6 0.12 0.01 0.10 0.01 -0.02 0.02 0.20 0.01 0.22 8 6 -0.12 0.01 -0.10 -0.01 -0.02 -0.02 -0.20 0.01 -0.22 9 1 -0.04 0.00 -0.02 0.09 0.07 -0.09 -0.04 -0.03 0.02 10 1 0.04 0.00 0.02 -0.09 0.07 0.09 0.04 -0.03 -0.02 11 6 0.01 -0.02 -0.01 -0.16 -0.21 0.14 -0.03 0.01 0.00 12 1 -0.13 -0.05 0.01 -0.25 -0.16 0.18 0.10 0.03 -0.01 13 1 0.07 -0.03 -0.20 -0.17 -0.13 0.06 -0.06 0.02 0.16 14 6 -0.01 -0.02 0.01 0.16 -0.21 -0.14 0.03 0.01 0.00 15 1 0.13 -0.05 -0.01 0.25 -0.16 -0.18 -0.10 0.03 0.01 16 1 -0.07 -0.03 0.20 0.17 -0.13 -0.06 0.06 0.02 -0.16 17 1 -0.05 0.05 -0.03 -0.01 -0.04 -0.03 -0.36 -0.05 -0.34 18 1 0.05 0.05 0.03 0.01 -0.04 0.03 0.36 -0.05 0.34 19 8 -0.03 0.01 -0.05 -0.02 -0.01 -0.01 -0.04 0.01 -0.09 20 8 0.03 0.01 0.05 0.02 -0.01 0.01 0.04 0.01 0.09 21 6 0.00 0.02 0.00 0.00 0.03 0.00 0.00 0.05 0.00 22 1 0.00 0.01 0.00 0.00 0.03 0.00 0.00 0.02 0.00 23 1 0.00 0.08 0.00 0.00 0.03 0.00 0.00 0.06 0.00 13 14 15 A A A Frequencies -- 597.3778 700.9886 744.6161 Red. masses -- 5.4914 1.1696 6.5783 Frc consts -- 1.1546 0.3386 2.1490 IR Inten -- 2.4049 19.8490 1.5321 Atom AN X Y Z X Y Z X Y Z 1 6 -0.08 0.03 0.22 -0.05 0.01 -0.01 0.03 0.00 0.01 2 6 0.02 0.32 0.01 0.01 -0.04 0.01 0.00 -0.01 0.00 3 6 0.02 -0.32 0.01 0.01 0.04 0.01 0.00 0.01 0.00 4 6 -0.07 -0.03 0.22 -0.05 -0.01 -0.01 0.03 0.00 0.01 5 1 -0.04 -0.22 0.08 0.37 -0.04 0.18 -0.20 0.05 -0.09 6 1 -0.04 0.22 0.08 0.37 0.04 0.18 -0.20 -0.05 -0.09 7 6 -0.06 -0.02 -0.08 0.01 -0.02 -0.02 0.11 0.03 -0.07 8 6 -0.06 0.02 -0.08 0.01 0.02 -0.02 0.11 -0.03 -0.07 9 1 0.08 -0.31 -0.01 0.40 0.10 0.21 -0.17 -0.02 -0.07 10 1 0.08 0.31 -0.01 0.40 -0.10 0.21 -0.17 0.02 -0.07 11 6 0.13 -0.05 -0.14 0.00 -0.01 0.00 0.00 0.01 0.01 12 1 -0.08 0.04 -0.05 0.00 -0.02 0.00 -0.06 -0.02 0.01 13 1 0.09 0.10 -0.21 0.00 0.00 0.00 0.01 0.03 -0.06 14 6 0.13 0.05 -0.14 0.00 0.01 0.00 0.00 -0.01 0.01 15 1 -0.09 -0.04 -0.05 0.00 0.02 0.00 -0.06 0.02 0.01 16 1 0.09 -0.10 -0.21 0.00 0.00 0.00 0.01 -0.03 -0.06 17 1 -0.20 0.01 -0.15 -0.25 -0.06 -0.20 -0.01 0.27 0.12 18 1 -0.20 -0.01 -0.15 -0.25 0.06 -0.20 -0.01 -0.27 0.12 19 8 0.00 0.01 0.01 0.00 0.03 0.00 0.01 0.39 0.01 20 8 0.00 -0.01 0.01 0.00 -0.03 0.00 0.01 -0.39 0.01 21 6 -0.01 0.00 0.00 -0.02 0.00 0.00 -0.20 0.00 0.07 22 1 -0.02 0.00 0.00 -0.01 0.00 0.01 -0.08 0.00 0.12 23 1 0.00 0.00 -0.01 -0.03 0.00 0.02 -0.38 0.00 0.27 16 17 18 A A A Frequencies -- 781.1942 817.5803 818.3760 Red. masses -- 1.1467 1.6033 1.5533 Frc consts -- 0.4123 0.6314 0.6129 IR Inten -- 15.4342 0.9414 26.6160 Atom AN X Y Z X Y Z X Y Z 1 6 0.04 0.00 0.02 -0.07 0.04 -0.08 -0.01 0.00 0.03 2 6 0.01 -0.04 0.01 -0.03 -0.06 -0.02 0.01 0.00 0.01 3 6 0.01 0.04 0.01 0.03 -0.06 0.02 -0.01 0.00 -0.01 4 6 0.04 0.00 0.02 0.07 0.04 0.08 0.01 0.00 -0.03 5 1 -0.27 0.08 -0.09 0.28 -0.01 0.07 -0.13 0.05 0.00 6 1 -0.27 -0.08 -0.09 -0.28 -0.01 -0.07 0.13 0.05 0.00 7 6 0.01 -0.02 0.00 0.02 -0.04 -0.01 0.12 -0.07 -0.03 8 6 0.01 0.02 0.00 -0.02 -0.04 0.01 -0.12 -0.07 0.03 9 1 -0.12 0.02 -0.03 -0.49 -0.14 -0.29 -0.02 0.00 -0.02 10 1 -0.12 -0.02 -0.03 0.49 -0.14 0.29 0.02 0.00 0.02 11 6 0.02 0.02 0.03 0.06 0.02 0.00 -0.04 0.00 0.01 12 1 -0.19 -0.10 0.02 -0.10 0.02 0.04 0.06 0.02 0.00 13 1 0.05 0.10 -0.20 0.10 0.01 -0.15 -0.07 0.02 0.11 14 6 0.02 -0.02 0.03 -0.06 0.02 0.00 0.04 0.00 -0.01 15 1 -0.19 0.10 0.02 0.10 0.02 -0.04 -0.06 0.02 0.00 16 1 0.05 -0.10 -0.20 -0.10 0.01 0.15 0.07 0.02 -0.11 17 1 -0.38 -0.18 -0.33 0.01 -0.02 0.04 0.40 0.20 0.48 18 1 -0.38 0.18 -0.34 -0.01 -0.02 -0.04 -0.40 0.20 -0.48 19 8 0.00 -0.01 0.00 0.03 0.04 -0.02 -0.01 0.03 0.01 20 8 0.00 0.01 0.00 -0.03 0.04 0.02 0.01 0.03 -0.01 21 6 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 22 1 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 0.02 0.00 23 1 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 19 20 21 A A A Frequencies -- 837.5958 849.3894 866.8113 Red. masses -- 1.9909 1.6201 3.8475 Frc consts -- 0.8229 0.6887 1.7033 IR Inten -- 0.6362 1.7944 11.9646 Atom AN X Y Z X Y Z X Y Z 1 6 -0.02 -0.01 0.06 0.04 0.01 -0.01 -0.04 0.01 -0.03 2 6 -0.01 -0.07 0.05 0.06 0.06 -0.01 0.01 -0.03 0.00 3 6 -0.01 0.07 0.05 0.06 -0.06 -0.01 -0.01 -0.03 0.00 4 6 -0.02 0.01 0.06 0.04 -0.01 -0.01 0.04 0.01 0.03 5 1 -0.09 0.02 0.05 -0.26 -0.01 -0.19 0.14 -0.01 0.05 6 1 -0.09 -0.02 0.05 -0.26 0.01 -0.19 -0.14 -0.01 -0.05 7 6 0.01 0.00 0.00 0.01 0.00 0.01 -0.01 0.20 0.09 8 6 0.01 0.00 0.00 0.01 0.00 0.01 0.01 0.20 -0.09 9 1 -0.17 0.06 0.12 0.23 -0.04 0.00 -0.21 -0.06 -0.11 10 1 -0.17 -0.06 0.12 0.23 0.04 0.00 0.21 -0.06 0.11 11 6 0.02 0.12 -0.13 -0.11 -0.08 0.02 0.01 0.00 0.01 12 1 0.34 0.41 -0.08 0.18 0.16 0.06 -0.02 0.00 0.01 13 1 0.04 -0.18 0.22 -0.09 -0.31 0.29 0.02 0.01 -0.04 14 6 0.02 -0.12 -0.13 -0.11 0.08 0.02 -0.01 0.00 -0.01 15 1 0.34 -0.41 -0.08 0.18 -0.16 0.06 0.02 0.00 -0.01 16 1 0.04 0.18 0.22 -0.09 0.31 0.29 -0.02 0.01 0.04 17 1 -0.10 -0.06 -0.09 -0.17 -0.10 -0.15 0.31 0.38 0.16 18 1 -0.10 0.06 -0.09 -0.17 0.10 -0.15 -0.31 0.38 -0.16 19 8 0.00 0.00 0.00 0.00 0.00 0.00 -0.15 -0.13 0.11 20 8 0.00 0.00 0.00 0.00 0.00 0.00 0.15 -0.13 -0.11 21 6 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 -0.11 0.00 22 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 23 1 -0.01 0.00 0.00 -0.02 0.00 0.01 0.00 0.03 0.00 22 23 24 A A A Frequencies -- 925.8637 961.4584 961.7317 Red. masses -- 2.1421 1.2949 1.7614 Frc consts -- 1.0819 0.7052 0.9599 IR Inten -- 0.6573 0.1783 0.7974 Atom AN X Y Z X Y Z X Y Z 1 6 0.02 -0.04 -0.05 0.05 0.02 0.01 -0.12 -0.04 0.03 2 6 0.08 0.13 -0.03 -0.08 0.00 -0.01 0.02 0.10 0.00 3 6 -0.08 0.13 0.03 -0.08 0.00 -0.01 -0.01 0.10 0.00 4 6 -0.02 -0.04 0.05 0.06 -0.02 0.01 0.12 -0.04 -0.03 5 1 -0.10 -0.23 -0.24 -0.31 0.09 -0.13 0.54 -0.12 0.32 6 1 0.10 -0.23 0.24 -0.32 -0.09 -0.14 -0.53 -0.12 -0.32 7 6 0.02 -0.01 0.00 0.00 -0.03 -0.03 0.00 -0.01 -0.02 8 6 -0.02 -0.01 0.00 0.00 0.03 -0.03 0.00 -0.01 0.02 9 1 -0.26 0.11 0.08 0.40 0.08 0.35 0.04 0.11 0.11 10 1 0.26 0.11 -0.08 0.40 -0.08 0.35 -0.05 0.11 -0.11 11 6 0.10 -0.04 -0.11 0.02 0.03 -0.01 -0.07 -0.04 0.01 12 1 0.21 -0.25 -0.21 -0.01 -0.03 -0.03 0.09 -0.06 -0.03 13 1 0.16 -0.21 -0.12 -0.02 0.15 -0.01 -0.08 -0.07 0.11 14 6 -0.10 -0.04 0.11 0.02 -0.04 -0.01 0.07 -0.04 -0.01 15 1 -0.21 -0.25 0.21 -0.01 0.03 -0.03 -0.09 -0.06 0.03 16 1 -0.16 -0.21 0.12 -0.02 -0.15 -0.01 0.08 -0.07 -0.11 17 1 0.05 0.03 0.06 0.08 0.16 0.12 -0.04 -0.01 0.01 18 1 -0.05 0.03 -0.06 0.09 -0.16 0.12 0.03 0.00 -0.01 19 8 0.00 0.00 0.00 -0.01 -0.01 0.01 0.01 -0.01 0.00 20 8 0.00 0.00 0.00 -0.01 0.01 0.01 -0.01 -0.01 0.00 21 6 0.00 0.01 0.00 0.01 0.00 0.00 0.00 0.03 0.00 22 1 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.03 0.00 23 1 0.00 0.02 0.00 0.02 0.00 -0.01 0.00 0.02 0.00 25 26 27 A A A Frequencies -- 972.1224 1008.1341 1016.8856 Red. masses -- 3.5434 1.7772 5.8224 Frc consts -- 1.9730 1.0642 3.5473 IR Inten -- 62.0306 6.3553 2.3014 Atom AN X Y Z X Y Z X Y Z 1 6 -0.02 -0.02 0.02 0.00 -0.06 0.10 -0.01 0.04 -0.03 2 6 0.00 0.04 -0.01 -0.06 0.08 -0.02 0.03 0.02 0.02 3 6 0.00 0.04 0.01 0.06 0.08 0.02 0.03 -0.02 0.02 4 6 0.02 -0.02 -0.02 0.00 -0.06 -0.10 -0.01 -0.04 -0.03 5 1 -0.01 -0.02 0.02 -0.33 0.04 -0.01 0.08 0.05 0.02 6 1 0.01 -0.02 -0.02 0.33 0.04 0.01 0.08 -0.05 0.02 7 6 -0.05 0.00 0.08 -0.02 0.02 -0.02 0.21 -0.04 -0.18 8 6 0.05 0.00 -0.08 0.02 0.02 0.02 0.21 0.04 -0.18 9 1 -0.07 0.03 0.00 -0.51 -0.01 -0.25 -0.12 -0.05 0.04 10 1 0.07 0.03 0.00 0.51 -0.01 0.25 -0.12 0.05 0.04 11 6 -0.03 -0.02 0.01 -0.06 -0.03 0.06 -0.02 0.03 0.01 12 1 0.02 -0.03 0.00 -0.04 0.00 0.07 -0.05 0.09 0.05 13 1 -0.02 -0.03 0.02 -0.05 -0.05 0.05 0.01 -0.04 -0.02 14 6 0.03 -0.02 -0.01 0.06 -0.03 -0.06 -0.02 -0.03 0.01 15 1 -0.02 -0.03 0.00 0.04 0.00 -0.07 -0.05 -0.09 0.05 16 1 0.02 -0.03 -0.02 0.05 -0.05 -0.05 0.01 0.04 -0.02 17 1 0.38 -0.25 -0.15 -0.12 -0.01 -0.07 0.22 0.12 -0.13 18 1 -0.38 -0.25 0.15 0.12 -0.01 0.07 0.22 -0.12 -0.13 19 8 -0.06 0.17 -0.02 0.01 -0.02 0.00 0.00 -0.18 0.07 20 8 0.06 0.17 0.02 -0.01 -0.02 0.00 0.00 0.18 0.07 21 6 0.00 -0.35 0.00 0.00 0.03 0.00 -0.39 0.00 0.14 22 1 0.00 -0.50 0.00 0.00 0.05 0.00 -0.32 0.00 0.16 23 1 0.00 -0.23 0.00 0.00 0.01 0.00 -0.42 0.00 0.20 28 29 30 A A A Frequencies -- 1024.9461 1051.8536 1072.3355 Red. masses -- 2.8538 2.0157 1.8905 Frc consts -- 1.7663 1.3140 1.2808 IR Inten -- 4.6118 5.3945 82.6325 Atom AN X Y Z X Y Z X Y Z 1 6 0.01 0.12 -0.13 -0.04 -0.02 0.05 0.01 -0.03 0.01 2 6 0.04 0.14 0.04 0.08 0.04 0.04 -0.04 0.01 -0.01 3 6 0.04 -0.14 0.04 -0.08 0.04 -0.04 -0.04 -0.01 -0.01 4 6 0.01 -0.12 -0.13 0.04 -0.02 -0.05 0.01 0.03 0.01 5 1 0.17 0.11 -0.07 -0.06 -0.02 0.04 -0.03 -0.10 -0.05 6 1 0.17 -0.11 -0.07 0.06 -0.02 -0.04 -0.03 0.10 -0.05 7 6 -0.02 0.02 0.03 0.03 -0.01 -0.01 -0.06 0.10 0.05 8 6 -0.02 -0.02 0.03 -0.03 -0.01 0.01 -0.06 -0.10 0.05 9 1 -0.19 -0.16 0.33 0.12 0.07 0.08 0.13 0.02 0.06 10 1 -0.19 0.16 0.33 -0.12 0.07 -0.08 0.13 -0.02 0.06 11 6 -0.03 0.15 0.05 0.10 -0.01 0.14 0.01 0.01 -0.01 12 1 -0.18 0.30 0.14 -0.40 -0.13 0.19 0.02 -0.05 -0.04 13 1 -0.04 0.18 0.05 0.21 0.05 -0.40 -0.05 0.14 0.04 14 6 -0.03 -0.15 0.05 -0.10 -0.01 -0.14 0.01 -0.01 -0.01 15 1 -0.18 -0.30 0.14 0.40 -0.13 -0.19 0.02 0.05 -0.04 16 1 -0.04 -0.18 0.05 -0.21 0.05 0.40 -0.05 -0.14 0.04 17 1 -0.05 -0.10 -0.04 -0.01 0.01 0.03 0.27 -0.52 -0.16 18 1 -0.05 0.10 -0.04 0.01 0.01 -0.03 0.27 0.52 -0.16 19 8 0.01 0.02 -0.01 -0.01 0.00 0.01 0.09 0.00 -0.03 20 8 0.01 -0.02 -0.01 0.01 0.00 -0.01 0.09 0.00 -0.03 21 6 0.03 0.00 -0.02 0.00 -0.01 0.00 -0.14 0.00 0.01 22 1 0.04 0.00 -0.01 0.00 0.00 0.00 0.05 0.00 0.05 23 1 0.03 0.00 -0.01 0.00 0.04 0.00 -0.20 0.00 0.11 31 32 33 A A A Frequencies -- 1080.1827 1111.3713 1163.9719 Red. masses -- 3.0189 1.7462 1.5058 Frc consts -- 2.0754 1.2708 1.2020 IR Inten -- 1.4126 4.7905 9.4573 Atom AN X Y Z X Y Z X Y Z 1 6 -0.01 0.00 0.01 -0.01 -0.10 0.04 0.00 0.00 0.00 2 6 0.01 0.01 0.00 0.04 0.00 -0.06 0.01 0.00 0.00 3 6 -0.01 0.01 0.00 0.04 0.00 -0.06 0.01 0.00 0.00 4 6 0.01 0.00 -0.01 -0.01 0.10 0.04 0.00 0.00 0.00 5 1 -0.02 0.02 0.03 0.04 -0.46 -0.16 0.00 0.03 0.02 6 1 0.02 0.02 -0.03 0.04 0.46 -0.16 0.00 -0.03 0.02 7 6 -0.13 0.00 0.18 0.02 -0.01 -0.01 -0.02 -0.03 0.01 8 6 0.13 0.00 -0.18 0.02 0.01 -0.01 -0.02 0.03 0.01 9 1 -0.02 0.01 0.02 0.19 0.02 -0.24 0.01 0.00 -0.05 10 1 0.02 0.01 -0.02 0.19 -0.02 -0.24 0.01 0.00 -0.05 11 6 0.00 0.00 0.02 -0.03 0.11 0.04 0.00 0.00 0.00 12 1 -0.03 -0.03 0.01 -0.11 0.18 0.08 -0.02 0.04 0.02 13 1 0.01 0.03 -0.05 -0.08 0.24 0.07 0.01 -0.02 -0.01 14 6 0.00 0.00 -0.02 -0.03 -0.11 0.04 0.00 0.00 0.00 15 1 0.03 -0.03 -0.01 -0.11 -0.18 0.08 -0.02 -0.04 0.02 16 1 -0.01 0.03 0.05 -0.08 -0.24 0.07 0.01 0.02 -0.01 17 1 0.60 0.07 0.07 -0.05 0.08 0.02 -0.07 0.13 0.07 18 1 -0.60 0.07 -0.07 -0.05 -0.08 0.02 -0.07 -0.13 0.07 19 8 0.12 -0.05 -0.09 -0.01 0.00 0.00 0.03 -0.02 0.04 20 8 -0.12 -0.05 0.09 -0.01 0.00 0.00 0.03 0.02 0.04 21 6 0.00 0.14 0.00 0.01 0.00 0.00 -0.04 0.00 -0.18 22 1 0.00 0.00 0.00 -0.03 0.00 0.00 0.71 0.00 -0.01 23 1 0.00 -0.28 0.00 0.03 0.00 -0.02 -0.46 0.00 0.42 34 35 36 A A A Frequencies -- 1187.6556 1191.3292 1198.8324 Red. masses -- 1.1795 1.1627 1.9763 Frc consts -- 0.9802 0.9723 1.6735 IR Inten -- 65.4596 0.0072 235.4328 Atom AN X Y Z X Y Z X Y Z 1 6 -0.01 0.02 0.01 0.00 -0.03 -0.02 0.00 0.00 -0.01 2 6 0.00 0.00 -0.02 -0.02 0.04 0.06 0.01 0.00 0.00 3 6 0.00 0.00 -0.02 0.02 0.04 -0.06 0.01 0.00 0.00 4 6 -0.01 -0.02 0.01 0.00 -0.03 0.02 0.00 0.00 -0.01 5 1 -0.06 0.37 0.22 0.06 -0.36 -0.21 0.03 -0.21 -0.13 6 1 -0.06 -0.37 0.22 -0.06 -0.36 0.21 0.03 0.21 -0.13 7 6 -0.03 -0.01 0.02 0.00 0.00 0.00 -0.06 -0.04 0.06 8 6 -0.03 0.01 0.02 0.00 0.00 0.00 -0.06 0.04 0.06 9 1 0.22 0.02 -0.34 0.24 0.05 -0.49 -0.13 -0.01 0.19 10 1 0.22 -0.02 -0.34 -0.24 0.05 0.49 -0.13 0.01 0.19 11 6 0.01 0.01 0.01 0.00 0.01 0.01 0.00 0.00 0.00 12 1 -0.14 0.28 0.14 -0.02 0.07 0.03 0.05 -0.12 -0.05 13 1 0.03 -0.01 -0.04 -0.04 0.09 0.02 0.04 -0.10 -0.02 14 6 0.01 -0.01 0.01 0.00 0.01 -0.01 0.00 0.00 0.00 15 1 -0.14 -0.28 0.14 0.02 0.07 -0.03 0.05 0.12 -0.05 16 1 0.03 0.01 -0.04 0.04 0.09 -0.02 0.04 0.10 -0.02 17 1 -0.03 0.06 0.07 0.03 0.00 0.01 -0.37 0.35 0.20 18 1 -0.03 -0.06 0.07 -0.03 0.00 -0.01 -0.37 -0.35 0.20 19 8 0.04 0.00 -0.03 0.00 0.00 0.00 0.11 -0.03 -0.08 20 8 0.04 0.00 -0.03 0.00 0.00 0.00 0.11 0.03 -0.08 21 6 -0.04 0.00 0.04 0.00 0.00 0.00 -0.11 0.00 0.06 22 1 -0.12 0.00 0.02 0.00 0.01 0.00 -0.17 0.00 0.04 23 1 0.03 0.00 -0.05 0.00 -0.01 0.00 -0.02 0.00 -0.05 37 38 39 A A A Frequencies -- 1212.5926 1233.9260 1290.5947 Red. masses -- 1.0770 1.1030 1.0922 Frc consts -- 0.9330 0.9895 1.0718 IR Inten -- 0.3216 4.8151 3.6961 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.00 0.00 -0.01 0.01 0.00 0.00 0.00 0.01 2 6 0.00 0.00 0.00 0.04 0.01 0.03 0.02 0.00 0.01 3 6 0.00 0.00 0.00 0.04 -0.01 0.03 -0.02 0.00 -0.01 4 6 0.00 0.00 0.00 -0.01 -0.01 0.00 0.00 0.00 -0.01 5 1 0.00 0.01 0.00 -0.02 0.17 0.09 -0.01 -0.02 -0.01 6 1 0.00 0.01 0.00 -0.02 -0.17 0.09 0.01 -0.02 0.01 7 6 0.02 0.00 -0.03 0.01 0.00 0.00 -0.01 -0.01 0.01 8 6 -0.02 0.00 0.03 0.01 0.00 0.00 0.01 -0.01 -0.01 9 1 0.00 0.00 0.00 0.00 -0.02 -0.13 0.02 0.01 -0.01 10 1 0.00 0.00 0.00 0.00 0.02 -0.13 -0.02 0.01 0.01 11 6 0.00 0.00 0.00 -0.02 0.00 -0.03 -0.04 0.00 -0.03 12 1 0.00 0.00 0.00 0.15 -0.22 -0.15 -0.09 0.42 0.14 13 1 0.00 0.00 0.00 -0.25 0.43 0.28 0.16 -0.48 -0.15 14 6 0.00 0.00 0.00 -0.02 0.00 -0.03 0.04 0.00 0.03 15 1 0.00 0.00 0.00 0.15 0.22 -0.15 0.09 0.42 -0.14 16 1 0.00 0.00 0.00 -0.25 -0.43 0.28 -0.16 -0.48 0.15 17 1 0.03 -0.08 -0.02 -0.11 0.06 0.01 -0.03 0.06 0.04 18 1 -0.03 -0.08 0.02 -0.11 -0.06 0.01 0.03 0.06 -0.04 19 8 -0.01 0.01 -0.03 0.01 -0.01 -0.01 0.00 0.00 0.00 20 8 0.01 0.01 0.03 0.01 0.01 -0.01 0.00 0.00 0.00 21 6 0.00 -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 22 1 0.00 0.74 0.00 -0.01 0.00 0.00 0.00 -0.01 0.00 23 1 0.00 -0.65 0.00 -0.01 0.00 0.00 0.00 -0.05 0.00 40 41 42 A A A Frequencies -- 1305.0053 1324.0211 1370.2916 Red. masses -- 1.2559 1.9313 1.3238 Frc consts -- 1.2602 1.9947 1.4646 IR Inten -- 0.5257 9.8532 0.9090 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.00 0.00 -0.02 0.05 0.06 0.01 -0.03 -0.02 2 6 0.00 0.00 0.00 0.06 0.02 -0.08 0.01 -0.01 -0.03 3 6 0.00 0.00 0.00 0.06 -0.02 -0.08 -0.01 -0.01 0.03 4 6 0.00 0.00 0.00 -0.02 -0.05 0.06 -0.01 -0.03 0.02 5 1 0.00 -0.01 -0.01 -0.04 0.14 0.12 -0.03 0.23 0.13 6 1 0.00 -0.01 0.01 -0.04 -0.14 0.12 0.03 0.23 -0.13 7 6 -0.06 -0.06 0.05 -0.02 -0.03 0.00 0.00 0.00 0.00 8 6 0.06 -0.06 -0.05 -0.02 0.03 0.00 0.00 0.00 0.00 9 1 0.00 0.00 0.01 0.06 -0.02 -0.03 0.16 -0.01 -0.28 10 1 0.00 0.00 -0.01 0.06 0.02 -0.03 -0.16 -0.01 0.28 11 6 0.00 0.00 0.01 -0.06 0.13 0.05 -0.05 0.08 0.05 12 1 0.00 -0.07 -0.02 0.23 -0.42 -0.23 0.18 -0.35 -0.17 13 1 -0.02 0.06 0.03 0.13 -0.27 -0.14 0.13 -0.29 -0.13 14 6 0.00 0.00 -0.01 -0.06 -0.13 0.05 0.05 0.08 -0.05 15 1 0.00 -0.07 0.02 0.23 0.42 -0.23 -0.18 -0.35 0.17 16 1 0.02 0.06 -0.03 0.13 0.27 -0.14 -0.13 -0.29 0.13 17 1 -0.36 0.46 0.22 0.14 -0.07 -0.02 -0.01 0.00 0.00 18 1 0.36 0.46 -0.22 0.14 0.07 -0.02 0.01 0.00 0.00 19 8 -0.02 0.03 0.01 0.00 0.01 0.00 0.00 0.00 0.00 20 8 0.02 0.03 -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 21 6 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 1 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.01 0.00 23 1 0.00 -0.40 0.00 0.01 0.00 -0.01 0.00 0.00 0.00 43 44 45 A A A Frequencies -- 1405.1419 1459.6233 1461.2540 Red. masses -- 1.5824 1.3463 2.8438 Frc consts -- 1.8408 1.6900 3.5777 IR Inten -- 2.7880 5.4387 58.7344 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.06 0.02 0.00 0.00 0.00 0.01 -0.09 -0.05 2 6 -0.06 -0.04 0.08 0.00 0.00 0.00 -0.06 0.06 0.05 3 6 0.06 -0.04 -0.08 0.00 0.00 0.00 -0.06 -0.06 0.05 4 6 0.00 0.06 -0.02 0.00 0.00 0.00 0.01 0.09 -0.05 5 1 0.06 -0.40 -0.25 0.00 0.01 0.01 0.01 0.12 0.08 6 1 -0.06 -0.40 0.25 0.00 0.01 -0.01 0.01 -0.12 0.08 7 6 0.00 0.00 0.00 -0.05 -0.03 0.04 0.07 0.23 -0.01 8 6 0.00 0.00 0.00 0.05 -0.03 -0.04 0.07 -0.23 -0.01 9 1 -0.15 -0.05 0.32 0.01 0.00 -0.01 0.18 -0.04 -0.10 10 1 0.15 -0.05 -0.32 -0.01 0.00 0.01 0.18 0.04 -0.10 11 6 -0.06 0.05 0.06 0.00 0.00 0.00 0.01 0.07 0.00 12 1 0.11 -0.23 -0.08 -0.01 0.00 0.00 0.02 -0.20 -0.10 13 1 0.06 -0.18 -0.09 -0.01 0.01 0.01 0.12 -0.24 -0.05 14 6 0.06 0.05 -0.06 0.00 0.00 0.00 0.01 -0.07 0.00 15 1 -0.11 -0.23 0.08 0.01 0.00 0.00 0.02 0.20 -0.10 16 1 -0.06 -0.18 0.09 0.01 0.01 -0.01 0.12 0.24 -0.05 17 1 0.00 0.00 0.00 -0.10 0.15 0.05 -0.41 0.16 0.17 18 1 0.00 0.00 0.00 0.10 0.15 -0.05 -0.41 -0.16 0.17 19 8 0.00 0.00 0.00 0.04 0.02 -0.02 -0.02 -0.03 0.01 20 8 0.00 0.00 0.00 -0.04 0.02 0.02 -0.02 0.03 0.01 21 6 0.00 0.00 0.00 0.00 -0.12 0.00 0.02 0.00 -0.03 22 1 0.00 0.04 0.00 0.00 0.65 0.00 -0.01 0.00 -0.03 23 1 0.00 0.03 0.00 0.00 0.69 0.00 -0.05 0.00 0.07 46 47 48 A A A Frequencies -- 1483.5647 1518.1592 1539.0048 Red. masses -- 1.8469 1.0984 1.2156 Frc consts -- 2.3950 1.4916 1.6964 IR Inten -- 9.6919 0.8050 9.8825 Atom AN X Y Z X Y Z X Y Z 1 6 0.02 0.12 -0.04 -0.01 0.01 0.02 0.00 0.04 0.02 2 6 -0.06 0.00 0.13 0.00 -0.01 -0.01 0.01 -0.01 -0.02 3 6 -0.06 0.00 0.13 0.00 -0.01 0.01 0.01 0.01 -0.02 4 6 0.02 -0.12 -0.04 0.01 0.01 -0.02 0.00 -0.04 0.02 5 1 0.07 -0.25 -0.26 0.00 -0.06 -0.02 0.00 -0.03 -0.02 6 1 0.07 0.25 -0.26 0.00 -0.06 0.02 0.00 0.03 -0.02 7 6 -0.01 -0.04 0.00 0.00 0.00 0.00 0.01 0.05 0.00 8 6 -0.01 0.04 0.00 0.00 0.00 0.00 0.01 -0.05 0.00 9 1 0.22 0.01 -0.48 0.01 -0.01 -0.02 -0.02 0.01 0.01 10 1 0.22 -0.01 -0.48 -0.01 -0.01 0.02 -0.02 -0.01 0.01 11 6 0.01 0.03 -0.01 0.03 0.04 -0.03 -0.04 -0.04 0.04 12 1 0.11 -0.10 -0.09 -0.45 -0.21 -0.01 0.44 0.23 0.02 13 1 0.06 -0.07 -0.08 -0.01 -0.24 0.43 0.00 0.25 -0.42 14 6 0.01 -0.03 -0.01 -0.03 0.04 0.03 -0.04 0.04 0.04 15 1 0.11 0.10 -0.09 0.45 -0.21 0.01 0.44 -0.23 0.02 16 1 0.06 0.07 -0.08 0.01 -0.24 -0.43 0.00 -0.25 -0.42 17 1 0.04 -0.02 -0.04 0.02 -0.01 0.00 -0.07 0.03 0.05 18 1 0.04 0.02 -0.04 -0.02 -0.01 0.00 -0.07 -0.03 0.05 19 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 20 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 21 6 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 22 1 0.00 0.00 0.00 0.00 -0.01 0.00 -0.02 0.00 -0.01 23 1 0.01 0.00 -0.01 0.00 -0.01 0.00 -0.02 0.00 0.03 49 50 51 A A A Frequencies -- 1568.9717 1573.4528 1613.1553 Red. masses -- 2.6888 1.2357 3.8026 Frc consts -- 3.8998 1.8025 5.8303 IR Inten -- 18.6484 1.1817 1.7837 Atom AN X Y Z X Y Z X Y Z 1 6 -0.02 0.19 0.09 0.00 -0.05 -0.02 -0.07 0.12 0.22 2 6 0.03 -0.08 -0.09 -0.01 0.02 0.02 0.08 -0.09 -0.21 3 6 0.03 0.08 -0.09 -0.01 -0.02 0.02 -0.08 -0.09 0.21 4 6 -0.02 -0.19 0.09 0.00 0.05 -0.02 0.07 0.12 -0.21 5 1 0.01 -0.17 -0.13 0.00 0.04 0.03 0.00 -0.44 -0.09 6 1 0.01 0.17 -0.13 0.00 -0.04 0.03 0.00 -0.44 0.09 7 6 0.00 0.13 -0.01 -0.01 -0.05 0.01 -0.01 0.00 0.00 8 6 0.00 -0.13 -0.01 -0.01 0.05 0.01 0.01 0.00 0.00 9 1 -0.03 0.08 0.00 0.01 -0.02 0.00 0.15 -0.10 -0.24 10 1 -0.03 -0.08 0.00 0.01 0.02 0.00 -0.15 -0.10 0.24 11 6 0.02 -0.02 -0.01 0.00 0.01 0.00 0.02 0.01 -0.03 12 1 -0.31 -0.01 0.06 0.07 0.00 -0.02 0.21 0.00 -0.07 13 1 -0.06 -0.04 0.26 0.01 0.00 -0.06 0.03 0.05 -0.13 14 6 0.02 0.02 -0.01 0.00 -0.01 0.00 -0.02 0.01 0.03 15 1 -0.31 0.01 0.06 0.07 0.00 -0.02 -0.21 0.00 0.07 16 1 -0.06 0.04 0.26 0.01 0.00 -0.06 -0.03 0.05 0.13 17 1 -0.08 0.05 0.13 0.04 -0.02 -0.04 -0.02 -0.01 -0.02 18 1 -0.08 -0.05 0.13 0.04 0.02 -0.04 0.02 -0.01 0.02 19 8 0.00 -0.02 0.00 0.01 0.00 0.00 0.00 0.00 0.00 20 8 0.00 0.02 0.00 0.01 0.00 0.00 0.00 0.00 0.00 21 6 0.06 0.00 -0.03 0.08 0.00 -0.03 0.00 0.00 0.00 22 1 -0.38 0.00 -0.12 -0.66 0.00 -0.19 0.00 0.00 0.00 23 1 -0.23 0.00 0.36 -0.38 0.00 0.57 0.00 0.00 0.00 52 53 54 A A A Frequencies -- 2966.6892 3016.5040 3032.3310 Red. masses -- 1.0723 1.0614 1.0605 Frc consts -- 5.5607 5.6902 5.7450 IR Inten -- 203.6951 36.2161 76.4992 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 1 0.00 0.00 0.00 0.00 0.02 0.00 0.00 -0.03 0.00 10 1 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.03 0.00 11 6 0.00 0.00 0.00 0.04 0.03 -0.02 -0.03 -0.03 0.02 12 1 0.00 0.00 0.01 0.09 -0.13 0.36 -0.10 0.16 -0.42 13 1 -0.01 0.00 0.00 -0.53 -0.18 -0.15 0.49 0.16 0.14 14 6 0.00 0.00 0.00 -0.04 0.03 0.02 -0.03 0.03 0.02 15 1 0.00 0.00 0.01 -0.09 -0.13 -0.36 -0.10 -0.15 -0.42 16 1 -0.01 0.00 0.00 0.53 -0.18 0.15 0.49 -0.16 0.14 17 1 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 18 1 0.00 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 19 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 6 0.07 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 22 1 -0.02 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 23 1 -0.79 0.00 -0.58 0.00 0.00 0.00 -0.01 0.00 -0.01 55 56 57 A A A Frequencies -- 3033.4204 3058.2864 3111.5291 Red. masses -- 1.1032 1.1034 1.0958 Frc consts -- 5.9810 6.0807 6.2506 IR Inten -- 3.7198 54.7722 40.9651 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 1 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 0.00 10 1 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 11 6 -0.04 0.01 -0.05 -0.04 0.00 -0.05 0.00 0.00 0.00 12 1 0.11 -0.20 0.54 0.10 -0.19 0.49 0.00 0.00 0.00 13 1 0.36 0.13 0.09 0.42 0.15 0.10 0.00 0.00 0.00 14 6 0.04 0.01 0.05 -0.04 0.00 -0.05 0.00 0.00 0.00 15 1 -0.11 -0.21 -0.54 0.10 0.19 0.49 0.00 0.00 0.00 16 1 -0.36 0.13 -0.08 0.42 -0.15 0.10 0.00 0.00 0.00 17 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 18 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 19 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 6 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.09 22 1 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 -0.96 23 1 0.00 0.00 0.00 0.00 0.00 0.00 -0.12 0.00 -0.07 58 59 60 A A A Frequencies -- 3160.3585 3163.3358 3182.8117 Red. masses -- 1.0857 1.0878 1.0910 Frc consts -- 6.3891 6.4135 6.5119 IR Inten -- 18.0058 2.4059 29.6826 Atom AN X Y Z X Y Z X Y Z 1 6 0.01 0.01 -0.02 -0.01 -0.01 0.01 0.02 0.02 -0.04 2 6 -0.01 -0.05 0.00 0.01 0.06 0.00 0.00 0.03 0.00 3 6 0.01 -0.05 0.00 0.01 -0.06 0.00 0.00 0.03 0.00 4 6 -0.01 0.01 0.02 -0.01 0.01 0.01 -0.02 0.02 0.04 5 1 -0.13 -0.16 0.24 0.08 0.11 -0.16 -0.26 -0.31 0.49 6 1 0.13 -0.16 -0.24 0.08 -0.10 -0.16 0.26 -0.31 -0.49 7 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 1 -0.09 0.62 -0.03 -0.09 0.66 -0.03 0.04 -0.31 0.02 10 1 0.08 0.62 0.03 -0.09 -0.67 -0.03 -0.04 -0.31 -0.02 11 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 1 0.00 0.01 -0.02 0.00 0.01 -0.03 0.00 0.00 0.01 13 1 0.01 0.00 0.00 0.01 0.00 0.00 -0.01 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 1 0.00 0.01 0.02 0.00 -0.01 -0.03 0.00 0.00 -0.01 16 1 -0.01 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 17 1 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 18 1 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 19 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 62 63 A A A Frequencies -- 3198.6435 3240.2278 3259.6107 Red. masses -- 1.0968 1.0893 1.1027 Frc consts -- 6.6114 6.7380 6.9027 IR Inten -- 25.2833 0.3588 8.2290 Atom AN X Y Z X Y Z X Y Z 1 6 0.02 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 2 6 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 6 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 6 0.02 -0.03 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 5 1 -0.27 -0.34 0.52 0.00 0.00 0.00 0.00 0.00 0.00 6 1 -0.27 0.34 0.52 0.00 0.00 0.00 0.00 0.00 0.00 7 6 0.00 0.00 0.00 -0.02 0.04 0.04 -0.02 0.04 0.04 8 6 0.00 0.00 0.00 0.02 0.04 -0.04 -0.02 -0.04 0.04 9 1 -0.03 0.20 -0.01 0.00 -0.01 0.00 0.00 0.01 0.00 10 1 -0.03 -0.20 -0.01 0.00 -0.01 0.00 0.00 -0.01 0.00 11 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 1 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 13 1 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 1 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 16 1 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 1 0.00 0.00 0.00 -0.21 -0.43 0.52 0.20 0.44 -0.51 18 1 0.00 0.00 0.00 0.21 -0.43 -0.51 0.20 -0.44 -0.51 19 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 1 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.01 23 1 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.01 ------------------- - Thermochemistry - ------------------- Temperature 298.150 Kelvin. Pressure 1.00000 Atm. Atom 1 has atomic number 6 and mass 12.00000 Atom 2 has atomic number 6 and mass 12.00000 Atom 3 has atomic number 6 and mass 12.00000 Atom 4 has atomic number 6 and mass 12.00000 Atom 5 has atomic number 1 and mass 1.00783 Atom 6 has atomic number 1 and mass 1.00783 Atom 7 has atomic number 6 and mass 12.00000 Atom 8 has atomic number 6 and mass 12.00000 Atom 9 has atomic number 1 and mass 1.00783 Atom 10 has atomic number 1 and mass 1.00783 Atom 11 has atomic number 6 and mass 12.00000 Atom 12 has atomic number 1 and mass 1.00783 Atom 13 has atomic number 1 and mass 1.00783 Atom 14 has atomic number 6 and mass 12.00000 Atom 15 has atomic number 1 and mass 1.00783 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 8 and mass 15.99491 Atom 20 has atomic number 8 and mass 15.99491 Atom 21 has atomic number 6 and mass 12.00000 Atom 22 has atomic number 1 and mass 1.00783 Atom 23 has atomic number 1 and mass 1.00783 Molecular mass: 152.08373 amu. Principal axes and moments of inertia in atomic units: 1 2 3 Eigenvalues -- 923.877951806.483781945.99567 X 0.99964 0.00000 -0.02683 Y 0.00000 1.00000 -0.00002 Z 0.02683 0.00002 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): 1.95344 0.99904 0.92741 1 imaginary frequencies ignored. Zero-point vibrational energy 507886.8 (Joules/Mol) 121.38786 (Kcal/Mol) Warning -- explicit consideration of 12 degrees of freedom as vibrations may cause significant error Vibrational temperatures: 94.79 160.04 189.70 233.97 241.26 (Kelvin) 334.59 380.65 562.78 759.00 790.30 838.20 859.49 1008.56 1071.34 1123.96 1176.31 1177.46 1205.11 1222.08 1247.15 1332.11 1383.32 1383.72 1398.67 1450.48 1463.07 1474.67 1513.38 1542.85 1554.14 1599.01 1674.69 1708.77 1714.05 1724.85 1744.65 1775.34 1856.88 1877.61 1904.97 1971.54 2021.68 2100.07 2102.42 2134.52 2184.29 2214.28 2257.40 2263.84 2320.97 4268.40 4340.07 4362.84 4364.41 4400.19 4476.79 4547.05 4551.33 4579.35 4602.13 4661.96 4689.85 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= 0.158438 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= -500.332148 E (Thermal) CV S KCal/Mol Cal/Mol-Kelvin Cal/Mol-Kelvin Total 127.341 36.670 95.630 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 25.099 Vibration 1 0.597 1.971 4.273 Vibration 2 0.607 1.940 3.247 Vibration 3 0.612 1.922 2.919 Vibration 4 0.623 1.888 2.519 Vibration 5 0.624 1.882 2.461 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 0.132902D-72 -72.876468 -167.804268 Total V=0 0.126284D+17 16.101349 37.074726 Vib (Bot) 0.279455D-86 -86.553689 -199.297233 Vib (Bot) 1 0.313224D+01 0.495855 1.141748 Vib (Bot) 2 0.184080D+01 0.265007 0.610201 Vib (Bot) 3 0.154549D+01 0.189065 0.435339 Vib (Bot) 4 0.124218D+01 0.094186 0.216871 Vib (Bot) 5 0.120270D+01 0.080156 0.184566 Vib (Bot) 6 0.845983D+00 -0.072639 -0.167256 Vib (Bot) 7 0.732490D+00 -0.135198 -0.311306 Vib (Bot) 8 0.458606D+00 -0.338561 -0.779564 Vib (Bot) 9 0.303861D+00 -0.517325 -1.191185 Vib (Bot) 10 0.285900D+00 -0.543786 -1.252114 Vib (Bot) 11 0.260887D+00 -0.583547 -1.343666 Vib (Bot) 12 0.250633D+00 -0.600962 -1.383767 Vib (V=0) 0.265539D+03 2.424128 5.581761 Vib (V=0) 1 0.367190D+01 0.564890 1.300708 Vib (V=0) 2 0.240750D+01 0.381566 0.878588 Vib (V=0) 3 0.212435D+01 0.327227 0.753468 Vib (V=0) 4 0.183904D+01 0.264590 0.609242 Vib (V=0) 5 0.180249D+01 0.255873 0.589169 Vib (V=0) 6 0.148269D+01 0.171051 0.393860 Vib (V=0) 7 0.138687D+01 0.142036 0.327051 Vib (V=0) 8 0.117847D+01 0.071318 0.164216 Vib (V=0) 9 0.108509D+01 0.035466 0.081664 Vib (V=0) 10 0.107597D+01 0.031799 0.073220 Vib (V=0) 11 0.106397D+01 0.026929 0.062007 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 0.645122D+06 5.809642 13.377194 ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000001389 0.000001194 -0.000001908 2 6 0.000001018 -0.000001018 0.000002953 3 6 0.000002038 0.000000740 0.000000009 4 6 0.000001033 -0.000000110 0.000000417 5 1 0.000000855 -0.000000085 -0.000000007 6 1 0.000000773 -0.000000175 -0.000000134 7 6 -0.000005209 0.000001382 0.000000901 8 6 -0.000007058 0.000003158 0.000001096 9 1 0.000001672 0.000000455 0.000000762 10 1 -0.000000400 -0.000000125 -0.000000677 11 6 0.000000011 -0.000000593 -0.000001487 12 1 -0.000000617 0.000000068 -0.000001417 13 1 -0.000000239 -0.000000140 -0.000000942 14 6 -0.000002127 0.000000873 -0.000001556 15 1 -0.000001505 0.000000568 -0.000000703 16 1 -0.000000250 -0.000000479 -0.000002159 17 1 -0.000001862 -0.000000143 0.000000012 18 1 0.000000273 0.000000791 0.000000972 19 8 0.000011671 -0.000015898 0.000001426 20 8 -0.000005727 -0.000013725 -0.000001890 21 6 0.000005073 0.000021388 -0.000000962 22 1 0.000002193 -0.000002580 0.000002437 23 1 -0.000000226 0.000004454 0.000002859 ------------------------------------------------------------------- Cartesian Forces: Max 0.000021388 RMS 0.000004328 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max 0.000014957 RMS 0.000001919 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 0.00208 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 0.08428 Eigenvalues --- 0.08962 0.09810 0.10320 0.11072 0.11541 Eigenvalues --- 0.11834 0.12364 0.13156 0.14699 0.17379 Eigenvalues --- 0.22025 0.23168 0.24435 0.26720 0.28152 Eigenvalues --- 0.29530 0.29696 0.31246 0.32495 0.32654 Eigenvalues --- 0.32770 0.33124 0.34548 0.35129 0.35372 Eigenvalues --- 0.35381 0.35551 0.35788 0.35961 0.40529 Eigenvalues --- 0.42061 0.42958 0.43983 Eigenvectors required to have negative eigenvalues: R8 R4 D58 D60 D73 1 0.54419 0.54414 0.15998 -0.15998 0.14214 D67 D33 D3 D46 D20 1 -0.14212 0.12528 -0.12526 -0.11900 0.11898 Angle between quadratic step and forces= 75.96 degrees. Linear search not attempted -- option 19 set. Iteration 1 RMS(Cart)= 0.00013397 RMS(Int)= 0.00000001 Iteration 2 RMS(Cart)= 0.00000002 RMS(Int)= 0.00000000 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.61305 0.00000 0.00000 0.00001 0.00001 2.61306 R2 2.66723 0.00000 0.00000 -0.00001 -0.00001 2.66722 R3 2.05428 0.00000 0.00000 0.00000 0.00000 2.05428 R4 4.34863 0.00000 0.00000 -0.00031 -0.00031 4.34832 R5 2.05777 0.00000 0.00000 0.00000 0.00000 2.05777 R6 2.86223 0.00000 0.00000 0.00001 0.00001 2.86224 R7 2.61306 0.00000 0.00000 0.00000 0.00000 2.61306 R8 4.34811 0.00000 0.00000 0.00022 0.00022 4.34833 R9 2.05777 0.00000 0.00000 0.00000 0.00000 2.05777 R10 2.86224 0.00000 0.00000 0.00000 0.00000 2.86224 R11 2.05428 0.00000 0.00000 0.00000 0.00000 2.05428 R12 2.61424 0.00000 0.00000 0.00001 0.00001 2.61425 R13 2.04355 0.00000 0.00000 0.00000 0.00000 2.04356 R14 2.63214 0.00000 0.00000 -0.00001 -0.00001 2.63212 R15 2.04356 0.00000 0.00000 0.00000 0.00000 2.04356 R16 2.63216 -0.00001 0.00000 -0.00004 -0.00004 2.63212 R17 2.07553 0.00000 0.00000 0.00000 0.00000 2.07553 R18 2.07629 0.00000 0.00000 0.00000 0.00000 2.07629 R19 2.94356 0.00000 0.00000 0.00000 0.00000 2.94355 R20 4.42156 0.00000 0.00000 0.00043 0.00043 4.42199 R21 2.07553 0.00000 0.00000 0.00000 0.00000 2.07553 R22 2.07629 0.00000 0.00000 0.00000 0.00000 2.07629 R23 4.42227 0.00000 0.00000 -0.00029 -0.00029 4.42199 R24 2.68434 0.00001 0.00000 0.00006 0.00006 2.68440 R25 2.68445 -0.00001 0.00000 -0.00005 -0.00005 2.68440 R26 2.06654 0.00000 0.00000 0.00001 0.00001 2.06655 R27 2.08726 0.00000 0.00000 -0.00001 -0.00001 2.08725 A1 2.06894 0.00000 0.00000 -0.00001 -0.00001 2.06893 A2 2.09668 0.00000 0.00000 0.00000 0.00000 2.09668 A3 2.09024 0.00000 0.00000 0.00000 0.00000 2.09024 A4 1.69844 0.00000 0.00000 0.00005 0.00005 1.69849 A5 2.07696 0.00000 0.00000 -0.00001 -0.00001 2.07695 A6 2.10607 0.00000 0.00000 0.00000 0.00000 2.10607 A7 1.73630 0.00000 0.00000 -0.00004 -0.00004 1.73626 A8 1.64391 0.00000 0.00000 0.00002 0.00002 1.64394 A9 2.02369 0.00000 0.00000 -0.00001 -0.00001 2.02368 A10 1.69856 0.00000 0.00000 -0.00007 -0.00007 1.69849 A11 2.07695 0.00000 0.00000 0.00000 0.00000 2.07695 A12 2.10607 0.00000 0.00000 0.00000 0.00000 2.10607 A13 1.73619 0.00000 0.00000 0.00007 0.00007 1.73626 A14 1.64394 0.00000 0.00000 0.00000 0.00000 1.64394 A15 2.02368 0.00000 0.00000 0.00000 0.00000 2.02368 A16 2.06893 0.00000 0.00000 0.00000 0.00000 2.06893 A17 2.09024 0.00000 0.00000 0.00000 0.00000 2.09024 A18 2.09668 0.00000 0.00000 0.00000 0.00000 2.09668 A19 1.86833 0.00000 0.00000 0.00005 0.00005 1.86838 A20 1.54599 0.00000 0.00000 0.00006 0.00006 1.54605 A21 1.78488 0.00000 0.00000 -0.00005 -0.00005 1.78483 A22 2.22094 0.00000 0.00000 -0.00005 -0.00005 2.22089 A23 1.90154 0.00000 0.00000 0.00002 0.00002 1.90156 A24 2.03265 0.00000 0.00000 -0.00001 -0.00001 2.03264 A25 1.86843 0.00000 0.00000 -0.00005 -0.00005 1.86838 A26 1.54602 0.00000 0.00000 0.00003 0.00003 1.54605 A27 1.78483 0.00000 0.00000 0.00000 0.00000 1.78483 A28 2.22087 0.00000 0.00000 0.00001 0.00001 2.22089 A29 1.90155 0.00000 0.00000 0.00000 0.00000 1.90156 A30 2.03265 0.00000 0.00000 -0.00001 -0.00001 2.03264 A31 1.92273 0.00000 0.00000 0.00001 0.00001 1.92274 A32 1.88598 0.00000 0.00000 -0.00001 -0.00001 1.88597 A33 1.96917 0.00000 0.00000 0.00000 0.00000 1.96917 A34 1.83824 0.00000 0.00000 0.00000 0.00000 1.83825 A35 1.93666 0.00000 0.00000 0.00000 0.00000 1.93667 A36 1.90563 0.00000 0.00000 0.00000 0.00000 1.90562 A37 1.77317 0.00000 0.00000 -0.00005 -0.00005 1.77312 A38 1.96918 0.00000 0.00000 0.00000 0.00000 1.96918 A39 1.92275 0.00000 0.00000 -0.00001 -0.00001 1.92274 A40 1.88596 0.00000 0.00000 0.00001 0.00001 1.88597 A41 1.93667 0.00000 0.00000 -0.00001 -0.00001 1.93667 A42 1.90562 0.00000 0.00000 0.00001 0.00001 1.90562 A43 1.83825 0.00000 0.00000 0.00000 0.00000 1.83825 A44 1.77307 0.00000 0.00000 0.00005 0.00005 1.77312 A45 1.81547 0.00000 0.00000 -0.00006 -0.00006 1.81541 A46 1.81542 0.00000 0.00000 -0.00002 -0.00002 1.81541 A47 1.84720 -0.00001 0.00000 0.00001 0.00001 1.84721 A48 1.84716 0.00000 0.00000 0.00006 0.00006 1.84721 A49 1.87258 0.00000 0.00000 0.00003 0.00003 1.87260 A50 1.91224 0.00000 0.00000 -0.00004 -0.00004 1.91220 A51 1.91793 0.00000 0.00000 0.00002 0.00002 1.91795 A52 1.91218 0.00000 0.00000 0.00002 0.00002 1.91220 A53 1.91796 0.00000 0.00000 -0.00001 -0.00001 1.91795 A54 1.93006 0.00000 0.00000 -0.00001 -0.00001 1.93005 D1 -1.15231 0.00000 0.00000 -0.00003 -0.00003 -1.15234 D2 -2.98723 0.00000 0.00000 -0.00001 -0.00001 -2.98724 D3 0.58094 0.00000 0.00000 0.00002 0.00002 0.58096 D4 1.73974 0.00000 0.00000 -0.00005 -0.00005 1.73970 D5 -0.09518 0.00000 0.00000 -0.00002 -0.00002 -0.09520 D6 -2.81019 0.00000 0.00000 0.00001 0.00001 -2.81018 D7 0.00004 0.00000 0.00000 -0.00004 -0.00004 0.00000 D8 2.89301 0.00000 0.00000 -0.00002 -0.00002 2.89298 D9 -2.89296 0.00000 0.00000 -0.00002 -0.00002 -2.89298 D10 0.00001 0.00000 0.00000 -0.00001 -0.00001 0.00000 D11 0.99655 0.00000 0.00000 -0.00004 -0.00004 0.99651 D12 -3.03981 0.00000 0.00000 -0.00006 -0.00006 -3.03987 D13 -1.00139 0.00000 0.00000 -0.00006 -0.00006 -1.00145 D14 3.11070 0.00000 0.00000 -0.00004 -0.00004 3.11066 D15 -0.92566 0.00000 0.00000 -0.00006 -0.00006 -0.92572 D16 1.11276 0.00000 0.00000 -0.00006 -0.00006 1.11270 D17 -1.12701 0.00000 0.00000 -0.00005 -0.00005 -1.12706 D18 1.11982 0.00000 0.00000 -0.00007 -0.00007 1.11975 D19 -3.12494 0.00000 0.00000 -0.00007 -0.00007 -3.12502 D20 -0.55049 0.00000 0.00000 0.00002 0.00002 -0.55048 D21 -2.72546 0.00000 0.00000 0.00004 0.00004 -2.72543 D22 1.55805 0.00000 0.00000 0.00003 0.00003 1.55809 D23 1.21334 0.00000 0.00000 0.00009 0.00009 1.21342 D24 -0.96163 0.00000 0.00000 0.00011 0.00011 -0.96153 D25 -2.96130 0.00000 0.00000 0.00010 0.00010 -2.96120 D26 3.00529 0.00000 0.00000 0.00005 0.00005 3.00534 D27 0.83032 0.00000 0.00000 0.00007 0.00007 0.83039 D28 -1.16935 0.00000 0.00000 0.00007 0.00007 -1.16928 D29 1.15237 0.00000 0.00000 -0.00002 -0.00002 1.15234 D30 -1.73966 0.00000 0.00000 -0.00004 -0.00004 -1.73970 D31 2.98722 0.00000 0.00000 0.00002 0.00002 2.98724 D32 0.09520 0.00000 0.00000 0.00000 0.00000 0.09520 D33 -0.58098 0.00000 0.00000 0.00002 0.00002 -0.58096 D34 2.81018 0.00000 0.00000 0.00000 0.00000 2.81018 D35 -0.99646 0.00000 0.00000 -0.00005 -0.00005 -0.99651 D36 3.03993 0.00000 0.00000 -0.00006 -0.00006 3.03987 D37 1.00151 0.00000 0.00000 -0.00006 -0.00006 1.00145 D38 -3.11061 0.00000 0.00000 -0.00005 -0.00005 -3.11066 D39 0.92578 0.00000 0.00000 -0.00006 -0.00006 0.92572 D40 -1.11264 0.00000 0.00000 -0.00006 -0.00006 -1.11270 D41 1.12712 0.00000 0.00000 -0.00006 -0.00006 1.12706 D42 -1.11968 0.00000 0.00000 -0.00007 -0.00007 -1.11975 D43 3.12509 0.00000 0.00000 -0.00007 -0.00007 3.12502 D44 2.72539 0.00000 0.00000 0.00003 0.00003 2.72543 D45 -1.55812 0.00000 0.00000 0.00003 0.00003 -1.55809 D46 0.55045 0.00000 0.00000 0.00002 0.00002 0.55048 D47 0.96142 0.00000 0.00000 0.00011 0.00011 0.96153 D48 2.96109 0.00000 0.00000 0.00011 0.00011 2.96120 D49 -1.21352 0.00000 0.00000 0.00010 0.00010 -1.21342 D50 -0.83042 0.00000 0.00000 0.00003 0.00003 -0.83039 D51 1.16925 0.00000 0.00000 0.00003 0.00003 1.16928 D52 -3.00536 0.00000 0.00000 0.00002 0.00002 -3.00534 D53 -0.00005 0.00000 0.00000 0.00005 0.00005 0.00000 D54 1.77280 0.00000 0.00000 0.00005 0.00005 1.77285 D55 -1.91802 0.00000 0.00000 0.00007 0.00007 -1.91794 D56 -1.77280 0.00000 0.00000 -0.00005 -0.00005 -1.77285 D57 0.00005 0.00000 0.00000 -0.00005 -0.00005 0.00000 D58 2.59243 0.00000 0.00000 -0.00003 -0.00003 2.59239 D59 1.91791 0.00000 0.00000 0.00003 0.00003 1.91794 D60 -2.59243 0.00000 0.00000 0.00003 0.00003 -2.59240 D61 -0.00005 0.00000 0.00000 0.00005 0.00005 0.00000 D62 -0.64757 0.00000 0.00000 0.00000 0.00000 -0.64757 D63 1.28031 0.00000 0.00000 0.00010 0.00010 1.28041 D64 -2.44535 0.00000 0.00000 0.00002 0.00002 -2.44533 D65 2.16086 0.00000 0.00000 -0.00020 -0.00020 2.16065 D66 0.18742 0.00000 0.00000 -0.00025 -0.00025 0.18717 D67 -2.47158 0.00000 0.00000 -0.00016 -0.00016 -2.47174 D68 0.64761 0.00000 0.00000 -0.00004 -0.00004 0.64757 D69 -1.28041 0.00000 0.00000 0.00000 0.00000 -1.28041 D70 2.44535 0.00000 0.00000 -0.00002 -0.00002 2.44533 D71 -2.16086 0.00000 0.00000 0.00021 0.00021 -2.16065 D72 -0.18732 0.00000 0.00000 0.00016 0.00016 -0.18717 D73 2.47156 0.00000 0.00000 0.00018 0.00018 2.47174 D74 -0.61970 0.00000 0.00000 -0.00010 -0.00010 -0.61980 D75 -2.64947 0.00000 0.00000 -0.00009 -0.00009 -2.64956 D76 1.57380 0.00000 0.00000 -0.00009 -0.00009 1.57371 D77 0.00004 0.00000 0.00000 -0.00004 -0.00004 0.00000 D78 2.16737 0.00000 0.00000 -0.00006 -0.00006 2.16732 D79 -2.09726 0.00000 0.00000 -0.00006 -0.00006 -2.09732 D80 -2.16727 0.00000 0.00000 -0.00005 -0.00005 -2.16732 D81 0.00007 0.00000 0.00000 -0.00007 -0.00007 0.00000 D82 2.01862 0.00000 0.00000 -0.00007 -0.00007 2.01855 D83 2.09737 0.00000 0.00000 -0.00005 -0.00005 2.09732 D84 -2.01848 0.00000 0.00000 -0.00007 -0.00007 -2.01855 D85 0.00007 0.00000 0.00000 -0.00007 -0.00007 0.00000 D86 -0.34155 0.00000 0.00000 0.00006 0.00006 -0.34149 D87 0.61989 0.00000 0.00000 -0.00010 -0.00010 0.61980 D88 -1.57363 0.00000 0.00000 -0.00008 -0.00008 -1.57371 D89 2.64964 0.00000 0.00000 -0.00008 -0.00008 2.64956 D90 0.34150 0.00000 0.00000 -0.00001 -0.00001 0.34149 D91 -0.30179 0.00000 0.00000 0.00035 0.00035 -0.30144 D92 -2.37636 0.00000 0.00000 0.00032 0.00032 -2.37604 D93 1.78289 0.00000 0.00000 0.00036 0.00036 1.78325 D94 0.30175 0.00000 0.00000 -0.00031 -0.00031 0.30144 D95 2.37636 0.00000 0.00000 -0.00033 -0.00033 2.37604 D96 -1.78291 0.00000 0.00000 -0.00034 -0.00034 -1.78325 Item Value Threshold Converged? Maximum Force 0.000015 0.000450 YES RMS Force 0.000002 0.000300 YES Maximum Displacement 0.000856 0.001800 YES RMS Displacement 0.000134 0.001200 YES Predicted change in Energy=-3.971151D-09 Optimization completed. -- Stationary point found. ---------------------------- ! Optimized Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.3828 -DE/DX = 0.0 ! ! R2 R(1,4) 1.4114 -DE/DX = 0.0 ! ! R3 R(1,5) 1.0871 -DE/DX = 0.0 ! ! R4 R(2,7) 2.3012 -DE/DX = 0.0 ! ! R5 R(2,10) 1.0889 -DE/DX = 0.0 ! ! R6 R(2,14) 1.5146 -DE/DX = 0.0 ! ! R7 R(3,4) 1.3828 -DE/DX = 0.0 ! ! R8 R(3,8) 2.3009 -DE/DX = 0.0 ! ! R9 R(3,9) 1.0889 -DE/DX = 0.0 ! ! R10 R(3,11) 1.5146 -DE/DX = 0.0 ! ! R11 R(4,6) 1.0871 -DE/DX = 0.0 ! ! R12 R(7,8) 1.3834 -DE/DX = 0.0 ! ! R13 R(7,18) 1.0814 -DE/DX = 0.0 ! ! R14 R(7,19) 1.3929 -DE/DX = 0.0 ! ! R15 R(8,17) 1.0814 -DE/DX = 0.0 ! ! R16 R(8,20) 1.3929 -DE/DX = 0.0 ! ! R17 R(11,12) 1.0983 -DE/DX = 0.0 ! ! R18 R(11,13) 1.0987 -DE/DX = 0.0 ! ! R19 R(11,14) 1.5577 -DE/DX = 0.0 ! ! R20 R(12,17) 2.3398 -DE/DX = 0.0 ! ! R21 R(14,15) 1.0983 -DE/DX = 0.0 ! ! R22 R(14,16) 1.0987 -DE/DX = 0.0 ! ! R23 R(15,18) 2.3402 -DE/DX = 0.0 ! ! R24 R(19,21) 1.4205 -DE/DX = 0.0 ! ! R25 R(20,21) 1.4205 -DE/DX = 0.0 ! ! R26 R(21,22) 1.0936 -DE/DX = 0.0 ! ! R27 R(21,23) 1.1045 -DE/DX = 0.0 ! ! A1 A(2,1,4) 118.5415 -DE/DX = 0.0 ! ! A2 A(2,1,5) 120.1311 -DE/DX = 0.0 ! ! A3 A(4,1,5) 119.7618 -DE/DX = 0.0 ! ! A4 A(1,2,7) 97.3136 -DE/DX = 0.0 ! ! A5 A(1,2,10) 119.001 -DE/DX = 0.0 ! ! A6 A(1,2,14) 120.6688 -DE/DX = 0.0 ! ! A7 A(7,2,10) 99.4828 -DE/DX = 0.0 ! ! A8 A(7,2,14) 94.1894 -DE/DX = 0.0 ! ! A9 A(10,2,14) 115.9489 -DE/DX = 0.0 ! ! A10 A(4,3,8) 97.3201 -DE/DX = 0.0 ! ! A11 A(4,3,9) 119.0007 -DE/DX = 0.0 ! ! A12 A(4,3,11) 120.6689 -DE/DX = 0.0 ! ! A13 A(8,3,9) 99.4764 -DE/DX = 0.0 ! ! A14 A(8,3,11) 94.1906 -DE/DX = 0.0 ! ! A15 A(9,3,11) 115.9485 -DE/DX = 0.0 ! ! A16 A(1,4,3) 118.541 -DE/DX = 0.0 ! ! A17 A(1,4,6) 119.762 -DE/DX = 0.0 ! ! A18 A(3,4,6) 120.1309 -DE/DX = 0.0 ! ! A19 A(2,7,8) 107.0474 -DE/DX = 0.0 ! ! A20 A(2,7,18) 88.5786 -DE/DX = 0.0 ! ! A21 A(2,7,19) 102.2661 -DE/DX = 0.0 ! ! A22 A(8,7,18) 127.2503 -DE/DX = 0.0 ! ! A23 A(8,7,19) 108.95 -DE/DX = 0.0 ! ! A24 A(18,7,19) 116.4624 -DE/DX = 0.0 ! ! A25 A(3,8,7) 107.0533 -DE/DX = 0.0 ! ! A26 A(3,8,17) 88.5806 -DE/DX = 0.0 ! ! A27 A(3,8,20) 102.2634 -DE/DX = 0.0 ! ! A28 A(7,8,17) 127.2467 -DE/DX = 0.0 ! ! A29 A(7,8,20) 108.9509 -DE/DX = 0.0 ! ! A30 A(17,8,20) 116.462 -DE/DX = 0.0 ! ! A31 A(3,11,12) 110.1645 -DE/DX = 0.0 ! ! A32 A(3,11,13) 108.0587 -DE/DX = 0.0 ! ! A33 A(3,11,14) 112.8253 -DE/DX = 0.0 ! ! A34 A(12,11,13) 105.3236 -DE/DX = 0.0 ! ! A35 A(12,11,14) 110.9627 -DE/DX = 0.0 ! ! A36 A(13,11,14) 109.1843 -DE/DX = 0.0 ! ! A37 A(11,12,17) 101.5952 -DE/DX = 0.0 ! ! A38 A(2,14,11) 112.8256 -DE/DX = 0.0 ! ! A39 A(2,14,15) 110.1653 -DE/DX = 0.0 ! ! A40 A(2,14,16) 108.0573 -DE/DX = 0.0 ! ! A41 A(11,14,15) 110.9632 -DE/DX = 0.0 ! ! A42 A(11,14,16) 109.1837 -DE/DX = 0.0 ! ! A43 A(15,14,16) 105.3238 -DE/DX = 0.0 ! ! A44 A(14,15,18) 101.5892 -DE/DX = 0.0 ! ! A45 A(8,17,12) 104.0188 -DE/DX = 0.0 ! ! A46 A(7,18,15) 104.0161 -DE/DX = 0.0 ! ! A47 A(7,19,21) 105.8367 -DE/DX = 0.0 ! ! A48 A(8,20,21) 105.8342 -DE/DX = 0.0 ! ! A49 A(19,21,20) 107.2908 -DE/DX = 0.0 ! ! A50 A(19,21,22) 109.5635 -DE/DX = 0.0 ! ! A51 A(19,21,23) 109.8894 -DE/DX = 0.0 ! ! A52 A(20,21,22) 109.5597 -DE/DX = 0.0 ! ! A53 A(20,21,23) 109.8912 -DE/DX = 0.0 ! ! A54 A(22,21,23) 110.5842 -DE/DX = 0.0 ! ! D1 D(4,1,2,7) -66.0226 -DE/DX = 0.0 ! ! D2 D(4,1,2,10) -171.1557 -DE/DX = 0.0 ! ! D3 D(4,1,2,14) 33.2854 -DE/DX = 0.0 ! ! D4 D(5,1,2,7) 99.6799 -DE/DX = 0.0 ! ! D5 D(5,1,2,10) -5.4532 -DE/DX = 0.0 ! ! D6 D(5,1,2,14) -161.0122 -DE/DX = 0.0 ! ! D7 D(2,1,4,3) 0.0022 -DE/DX = 0.0 ! ! D8 D(2,1,4,6) 165.757 -DE/DX = 0.0 ! ! D9 D(5,1,4,3) -165.7544 -DE/DX = 0.0 ! ! D10 D(5,1,4,6) 0.0004 -DE/DX = 0.0 ! ! D11 D(1,2,7,8) 57.098 -DE/DX = 0.0 ! ! D12 D(1,2,7,18) -174.1682 -DE/DX = 0.0 ! ! D13 D(1,2,7,19) -57.3753 -DE/DX = 0.0 ! ! D14 D(10,2,7,8) 178.23 -DE/DX = 0.0 ! ! D15 D(10,2,7,18) -53.0362 -DE/DX = 0.0 ! ! D16 D(10,2,7,19) 63.7567 -DE/DX = 0.0 ! ! D17 D(14,2,7,8) -64.5727 -DE/DX = 0.0 ! ! D18 D(14,2,7,18) 64.161 -DE/DX = 0.0 ! ! D19 D(14,2,7,19) -179.0461 -DE/DX = 0.0 ! ! D20 D(1,2,14,11) -31.541 -DE/DX = 0.0 ! ! D21 D(1,2,14,15) -156.1575 -DE/DX = 0.0 ! ! D22 D(1,2,14,16) 89.2699 -DE/DX = 0.0 ! ! D23 D(7,2,14,11) 69.519 -DE/DX = 0.0 ! ! D24 D(7,2,14,15) -55.0975 -DE/DX = 0.0 ! ! D25 D(7,2,14,16) -169.6701 -DE/DX = 0.0 ! ! D26 D(10,2,14,11) 172.1904 -DE/DX = 0.0 ! ! D27 D(10,2,14,15) 47.5739 -DE/DX = 0.0 ! ! D28 D(10,2,14,16) -66.9986 -DE/DX = 0.0 ! ! D29 D(8,3,4,1) 66.0258 -DE/DX = 0.0 ! ! D30 D(8,3,4,6) -99.6749 -DE/DX = 0.0 ! ! D31 D(9,3,4,1) 171.1552 -DE/DX = 0.0 ! ! D32 D(9,3,4,6) 5.4545 -DE/DX = 0.0 ! ! D33 D(11,3,4,1) -33.2876 -DE/DX = 0.0 ! ! D34 D(11,3,4,6) 161.0116 -DE/DX = 0.0 ! ! D35 D(4,3,8,7) -57.093 -DE/DX = 0.0 ! ! D36 D(4,3,8,17) 174.1751 -DE/DX = 0.0 ! ! D37 D(4,3,8,20) 57.3824 -DE/DX = 0.0 ! ! D38 D(9,3,8,7) -178.2248 -DE/DX = 0.0 ! ! D39 D(9,3,8,17) 53.0433 -DE/DX = 0.0 ! ! D40 D(9,3,8,20) -63.7494 -DE/DX = 0.0 ! ! D41 D(11,3,8,7) 64.5791 -DE/DX = 0.0 ! ! D42 D(11,3,8,17) -64.1527 -DE/DX = 0.0 ! ! D43 D(11,3,8,20) 179.0545 -DE/DX = 0.0 ! ! D44 D(4,3,11,12) 156.1536 -DE/DX = 0.0 ! ! D45 D(4,3,11,13) -89.2737 -DE/DX = 0.0 ! ! D46 D(4,3,11,14) 31.5387 -DE/DX = 0.0 ! ! D47 D(8,3,11,12) 55.0852 -DE/DX = 0.0 ! ! D48 D(8,3,11,13) 169.6579 -DE/DX = 0.0 ! ! D49 D(8,3,11,14) -69.5297 -DE/DX = 0.0 ! ! D50 D(9,3,11,12) -47.5795 -DE/DX = 0.0 ! ! D51 D(9,3,11,13) 66.9932 -DE/DX = 0.0 ! ! D52 D(9,3,11,14) -172.1944 -DE/DX = 0.0 ! ! D53 D(2,7,8,3) -0.0029 -DE/DX = 0.0 ! ! D54 D(2,7,8,17) 101.5738 -DE/DX = 0.0 ! ! D55 D(2,7,8,20) -109.8942 -DE/DX = 0.0 ! ! D56 D(18,7,8,3) -101.5737 -DE/DX = 0.0 ! ! D57 D(18,7,8,17) 0.003 -DE/DX = 0.0 ! ! D58 D(18,7,8,20) 148.535 -DE/DX = 0.0 ! ! D59 D(19,7,8,3) 109.8882 -DE/DX = 0.0 ! ! D60 D(19,7,8,17) -148.5351 -DE/DX = 0.0 ! ! D61 D(19,7,8,20) -0.003 -DE/DX = 0.0 ! ! D62 D(2,7,18,15) -37.103 -DE/DX = 0.0 ! ! D63 D(8,7,18,15) 73.3561 -DE/DX = 0.0 ! ! D64 D(19,7,18,15) -140.1082 -DE/DX = 0.0 ! ! D65 D(2,7,19,21) 123.808 -DE/DX = 0.0 ! ! D66 D(8,7,19,21) 10.7382 -DE/DX = 0.0 ! ! D67 D(18,7,19,21) -141.6111 -DE/DX = 0.0 ! ! D68 D(3,8,17,12) 37.1052 -DE/DX = 0.0 ! ! D69 D(7,8,17,12) -73.3622 -DE/DX = 0.0 ! ! D70 D(20,8,17,12) 140.1083 -DE/DX = 0.0 ! ! D71 D(3,8,20,21) -123.8084 -DE/DX = 0.0 ! ! D72 D(7,8,20,21) -10.7328 -DE/DX = 0.0 ! ! D73 D(17,8,20,21) 141.61 -DE/DX = 0.0 ! ! D74 D(3,11,12,17) -35.5062 -DE/DX = 0.0 ! ! D75 D(13,11,12,17) -151.8035 -DE/DX = 0.0 ! ! D76 D(14,11,12,17) 90.172 -DE/DX = 0.0 ! ! D77 D(3,11,14,2) 0.002 -DE/DX = 0.0 ! ! D78 D(3,11,14,15) 124.1813 -DE/DX = 0.0 ! ! D79 D(3,11,14,16) -120.1643 -DE/DX = 0.0 ! ! D80 D(12,11,14,2) -124.1755 -DE/DX = 0.0 ! ! D81 D(12,11,14,15) 0.0038 -DE/DX = 0.0 ! ! D82 D(12,11,14,16) 115.6582 -DE/DX = 0.0 ! ! D83 D(13,11,14,2) 120.1702 -DE/DX = 0.0 ! ! D84 D(13,11,14,15) -115.6505 -DE/DX = 0.0 ! ! D85 D(13,11,14,16) 0.0039 -DE/DX = 0.0 ! ! D86 D(11,12,17,8) -19.5694 -DE/DX = 0.0 ! ! D87 D(2,14,15,18) 35.5171 -DE/DX = 0.0 ! ! D88 D(11,14,15,18) -90.1625 -DE/DX = 0.0 ! ! D89 D(16,14,15,18) 151.8133 -DE/DX = 0.0 ! ! D90 D(14,15,18,7) 19.5665 -DE/DX = 0.0 ! ! D91 D(7,19,21,20) -17.291 -DE/DX = 0.0 ! ! D92 D(7,19,21,22) -136.1554 -DE/DX = 0.0 ! ! D93 D(7,19,21,23) 102.1522 -DE/DX = 0.0 ! ! D94 D(8,20,21,19) 17.2889 -DE/DX = 0.0 ! ! D95 D(8,20,21,22) 136.1557 -DE/DX = 0.0 ! ! D96 D(8,20,21,23) -102.1532 -DE/DX = 0.0 ! -------------------------------------------------------------------------------- GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad 1\1\GINC-CX1-102-18-4\Freq\RB3LYP\6-31G(d)\C9H12O2\SCAN-USER-1\02-Nov- 2017\0\\#N Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-31G(d ) Freq\\Title Card Required\\0,1\C,-3.46630398,0.3869969,-0.09076836\C ,-3.17708098,-0.2735201,-1.27064336\C,-3.17739798,2.4592689,-1.2703593 6\C,-3.46644598,1.7984359,-0.09061036\H,-3.90949598,-0.1527611,0.74228 564\H,-3.90973898,2.3379219,0.74256564\C,-5.03595498,0.4012789,-2.4473 9336\C,-5.03594198,1.7846749,-2.44720736\H,-3.31636898,3.5382029,-1.31 883136\H,-3.31582598,-1.3524721,-1.31935736\C,-2.19749298,1.8719229,-2 .26480336\H,-2.39754598,2.2649219,-3.27070536\H,-1.19247498,2.2330769, -2.00654236\C,-2.19729498,0.3142599,-2.26494236\H,-2.39718098,-0.07862 01,-3.27092436\H,-1.19219798,-0.0466741,-2.00667536\H,-4.73075498,2.43 92979,-3.25204636\H,-4.73075398,-0.2531871,-3.25235136\O,-6.07729398,- 0.0511441,-1.64054636\O,-6.07731898,2.2369249,-1.64029136\C,-6.8677069 8,1.0928119,-1.35002836\H,-7.13628598,1.0927229,-0.28995636\H,-7.77467 498,1.0928419,-1.98042236\\Version=ES64L-G09RevD.01\State=1-A\HF=-500. 4905865\RMSD=2.056e-09\RMSF=4.328e-06\ZeroPoint=0.1934439\Thermal=0.20 29314\Dipole=0.0502506,-0.0000161,-0.4265697\DipoleDeriv=-0.1583626,0. 2056469,-0.1159742,-0.0342873,-0.0098444,-0.0155388,-0.1809496,-0.0327 61,-0.0358691,0.164371,-0.1542779,-0.0473939,-0.0073876,0.1160505,0.01 67166,0.0318662,-0.0038203,0.0086587,0.1643284,0.1542739,-0.0473301,0. 0074982,0.1160807,-0.0166472,0.0319125,0.0038403,0.0086741,-0.1583719, -0.2056472,-0.116059,0.0342671,-0.0099111,0.0154909,-0.181081,0.032725 2,-0.0359355,0.064297,-0.04988,0.1182819,-0.0177396,0.0108105,0.063694 5,0.0528451,0.060858,-0.0511443,0.0642852,0.049865,0.1183114,0.0177409 ,0.010851,-0.0636495,0.052868,-0.0608261,-0.051165,0.7103527,0.2520897 ,-0.0330563,0.5384495,0.1343169,0.0299475,-0.4328882,-0.1056361,0.0899 571,0.7102449,-0.2520673,-0.0331247,-0.5383929,0.1342163,-0.0299735,-0 .4328635,0.1055931,0.090073,0.0293937,-0.0113332,0.0276172,0.0154457,- 0.1377395,-0.0021706,0.0343633,-0.0164768,0.0383348,0.0293699,0.011375 1,0.027607,-0.0154125,-0.1377562,0.0021404,0.0343454,0.0164547,0.03833 55,0.1005903,0.0028027,0.0628916,0.007063,-0.0026404,-0.0130784,-0.018 8846,-0.1020437,0.1849186,0.0303396,0.0411173,-0.0689296,0.0077903,-0. 0196355,0.0599597,0.0349911,0.1059308,-0.1484457,-0.2008817,-0.1145432 ,0.0010654,-0.0150626,0.0250204,-0.0144413,0.0014306,0.0088608,0.02012 4,0.1005752,-0.0027828,0.0628987,-0.0070377,-0.0026778,0.0130551,-0.01 89262,0.102,0.184939,0.0303512,-0.0410769,-0.0688933,-0.0077862,-0.019 6064,-0.0599512,0.0350323,-0.1059,-0.1484692,-0.2009195,0.1145007,0.00 10789,0.0149874,0.0250625,0.0144461,0.0014316,-0.0088592,0.0201203,0.0 049635,0.0414779,0.0178005,0.0010771,0.0616804,0.0384912,0.0281878,0.0 945417,-0.0358068,0.004927,-0.0414914,0.0177437,-0.0010537,0.0617212,- 0.0384431,0.0281478,-0.0944953,-0.0358229,-1.2206654,-0.0243364,0.0862 122,-0.0338084,-0.51017,-0.0636769,0.6140581,0.1059982,-0.210644,-1.22 04764,0.0242875,0.0862522,0.0337139,-0.5101245,0.0636107,0.6138424,-0. 1060207,-0.2107307,1.3199724,0.0000052,-0.0262787,-0.0000801,0.6170395 ,-0.0000146,-0.2493347,0.0000086,0.5018566,-0.0519847,-0.0000032,0.002 295,-0.0000072,0.0306127,0.0000174,0.111801,0.000019,-0.1368049,-0.316 6998,-0.0000027,-0.0730161,0.0000227,0.0166432,0.0000149,-0.1921954,0. 0000089,-0.0851536\Polar=113.3565253,-0.0013415,96.1868834,1.7709582,0 .0000052,95.2211396\PG=C01 [X(C9H12O2)]\NImag=1\\0.22252524,0.04361381 ,0.65086713,-0.20083359,-0.00646931,0.65560759,-0.07964440,0.03918288, 0.09706247,0.23879107,0.02300136,-0.17306911,-0.13392274,0.05855705,0. 66698744,0.07632255,-0.07747964,-0.29148336,-0.20823563,0.13275067,0.4 9735492,0.00198326,0.01390223,0.00386152,-0.01011278,0.00163373,-0.015 40753,0.23880394,-0.00722097,-0.03521115,0.02581829,-0.00163076,-0.005 22263,0.00710970,-0.05860577,0.66702144,-0.01212655,0.06881087,0.02405 204,-0.01540321,-0.00710476,-0.04326858,-0.20822264,-0.13275128,0.4972 8092,-0.06942764,0.02081446,0.03069980,0.00198604,0.00723224,-0.012109 56,-0.07962751,-0.02299365,0.07629167,0.22253326,-0.02077381,-0.304173 02,0.02918722,-0.01388986,-0.03519219,-0.06882507,-0.03918476,-0.17312 245,0.07751370,-0.04366410,0.65084232,0.03070068,-0.02922211,-0.109775 00,0.00386185,-0.02583067,0.02402903,0.09702191,0.13396327,-0.29142425 ,-0.20082855,0.00643299,0.65561077,-0.08352682,-0.06484957,0.09693748, 0.00130691,-0.00350038,0.00725633,0.00580204,-0.00053148,0.00254017,0. 00134028,0.00454652,0.00006920,0.07906897,-0.06017389,-0.12680846,0.10 404298,0.00903842,0.01075586,-0.01304249,0.00058797,-0.00562824,-0.002 27723,-0.01343859,-0.01138363,0.02665361,0.06366551,0.13232526,0.09352 881,0.10242702,-0.21854224,0.01453820,0.01506153,-0.01490536,0.0028567 2,-0.00073528,0.00290328,-0.00099690,-0.00034966,0.00359903,-0.1058853 4,-0.11287306,0.22894775,0.00133828,-0.00454351,0.00007357,0.00580154, 0.00053337,0.00253966,0.00130850,0.00349661,0.00725396,-0.08354866,0.0 6483626,0.09697326,-0.00232840,0.00034415,-0.00173969,0.07909170,0.013 44147,-0.01137582,-0.02665671,-0.00058657,-0.00562886,0.00227570,-0.00 904333,0.01075506,0.01304959,0.06016111,-0.12673816,-0.10400430,-0.000 34439,0.00126505,0.00029681,-0.06365255,0.13225029,-0.00099420,0.00034 656,0.00359327,0.00285598,0.00073408,0.00290374,0.01453900,-0.01505273 ,-0.01490604,0.09356242,-0.10238924,-0.21858927,-0.00173958,-0.0002968 8,-0.00007273,-0.10592115,0.11283130,0.22899952,-0.00021731,-0.0318526 5,-0.03177738,0.03078233,-0.00634043,0.04678298,0.00959921,-0.00452885 ,0.02219262,0.00369093,0.02902218,-0.01007497,-0.00171340,-0.00053997, 0.00014562,-0.00094088,0.00060211,-0.00049724,0.28620296,-0.00420863,0 .04103498,0.03316602,-0.03903807,-0.00983897,-0.05439298,-0.03232212,- 0.00439337,-0.05207619,-0.00831606,-0.04485487,0.02495702,0.00267003,0 .00023129,0.00155512,0.00241147,-0.00014591,0.00167787,0.00399107,0.69 121715,-0.00373486,-0.02827593,-0.02784068,0.02535944,-0.00448069,0.02 213952,0.00961216,-0.00075311,0.01466320,-0.00242178,0.01740793,-0.016 61885,-0.00164606,0.00033031,-0.00136022,-0.00086994,0.00031352,-0.000 48122,-0.24083626,0.18435669,0.42242668,0.00369845,-0.02902376,-0.0100 8564,0.00959975,0.00452259,0.02219800,0.03079647,0.00633420,0.04680553 ,-0.00022317,0.03186589,-0.03177886,-0.00094132,-0.00060213,-0.0004976 5,-0.00171392,0.00053959,0.00014579,-0.05829825,0.05319956,-0.00368478 ,0.28619576,0.00832583,-0.04484497,-0.02496087,0.03230878,-0.00439701, 0.05206114,0.03904983,-0.00985097,0.05440478,0.00420281,0.04104088,-0. 03315768,-0.00241154,-0.00014580,-0.00167799,-0.00267005,0.00023133,-0 .00155478,-0.05319246,-0.34538692,-0.02068561,-0.00394145,0.69128173,- 0.00241233,-0.01742211,-0.01662823,0.00962019,0.00074932,0.01468097,0. 02538273,0.00447898,0.02216603,-0.00374211,0.02829655,-0.02785381,-0.0 0087048,-0.00031381,-0.00048180,-0.00164700,-0.00032993,-0.00136081,-0 .00369918,0.02062326,-0.07956957,-0.24083029,-0.18429844,0.42233076,0. 00682156,-0.00188787,0.00140705,0.00002705,-0.00194225,0.00099663,-0.0 4220619,0.03690085,0.00823041,0.00283582,-0.00471027,0.00022259,0.0003 3086,0.00002124,0.00014367,-0.00370922,-0.00075580,-0.00180699,-0.0012 7220,0.00213787,-0.00117267,-0.00137129,-0.00816261,-0.00179317,0.0404 5414,0.00072494,0.00061332,0.00323705,0.00021102,0.00045421,-0.0001223 1,0.04105671,-0.32768438,0.01660330,0.00215831,-0.01153668,-0.00232238 ,0.00014194,-0.00064522,-0.00010847,-0.00113963,0.00085873,-0.00010850 ,0.00036062,0.00017855,-0.00026468,0.00064561,-0.00175615,-0.00018710, -0.04362445,0.34642874,0.00438959,0.00079170,-0.00458254,0.00067028,-0 .00066537,-0.00079219,0.00836726,0.00992148,-0.05181699,-0.00288172,0. 03111053,0.00333606,0.00011550,0.00175419,0.00016904,-0.00234415,-0.00 070096,0.00025835,-0.00061569,0.00068686,-0.00034980,-0.00069253,-0.00 417087,-0.00050197,-0.01031137,-0.01674369,0.05204434,0.00283619,0.004 71532,0.00022417,-0.04219088,-0.03684161,0.00822457,0.00002665,0.00194 180,0.00099656,0.00682128,0.00188806,0.00140900,-0.00370986,0.00075521 ,-0.00180701,0.00033095,-0.00002099,0.00014364,-0.00136777,0.00815742, -0.00178818,-0.00127119,-0.00213648,-0.00117280,-0.00032208,-0.0002080 7,-0.00030887,0.04043279,-0.00215530,-0.01153052,0.00231869,-0.0409992 9,-0.32769577,-0.01666337,-0.00021120,0.00045441,0.00012299,-0.0007243 1,0.00061487,-0.00323579,0.00113921,0.00085899,0.00010823,-0.00014170, -0.00064492,0.00010835,-0.00064662,-0.00175317,0.00018586,-0.00036083, 0.00017782,0.00026411,0.00020805,0.00000573,0.00011854,0.04356417,0.34 644009,-0.00287606,-0.03111370,0.00332978,0.00836062,-0.00998082,-0.05 182325,0.00066989,0.00066577,-0.00079223,0.00439001,-0.00078983,-0.004 58294,-0.00234427,0.00070060,0.00025842,0.00011590,-0.00175433,0.00016 872,-0.00069081,0.00416728,-0.00049941,-0.00061522,-0.00068617,-0.0003 4978,-0.00030883,-0.00011865,0.00006666,-0.01030795,0.01680869,0.05204 972,-0.00042027,-0.00140369,-0.00383444,0.00267135,-0.02114716,0.00106 993,-0.11384390,0.03342329,0.06858582,-0.00265757,0.00458961,0.0033979 2,-0.00085887,0.00020558,-0.00063324,0.00491892,0.00094072,-0.00025506 ,-0.00300405,0.00596101,-0.00172989,-0.01785860,-0.00562817,-0.0016559 0,-0.00075187,-0.00077033,0.00076556,-0.00293528,-0.00105562,0.0028706 5,0.52480897,-0.00072363,-0.00458116,-0.00481800,-0.01063439,-0.016718 95,0.01103420,0.03083059,-0.10803538,-0.01910485,-0.00948057,0.0184305 6,0.00223905,0.00071025,-0.00027096,-0.00038714,0.00114349,-0.00088547 ,0.00373100,0.00010080,0.00050752,-0.00075357,-0.00204395,0.00067886,0 .00081755,0.02203595,-0.00828070,-0.02005852,0.00212703,0.00068681,0.0 0155313,0.02406798,0.45862667,-0.00268204,-0.00695709,-0.00365466,-0.0 0347398,0.02120867,0.00715855,0.05870536,-0.02738959,-0.12431053,0.021 79010,-0.00369811,-0.02663738,-0.00032830,-0.00036748,0.00007780,0.004 63433,0.00325399,-0.00132209,-0.00136401,0.00309216,-0.00126247,-0.002 64296,-0.00314972,-0.00091909,-0.00029993,0.00181308,0.00254199,0.0039 5462,0.00118125,-0.00161917,0.03085228,-0.03486685,0.55161259,0.000137 77,0.00019725,-0.00017812,-0.00018278,-0.00074340,0.00000038,0.0019185 3,-0.00990958,0.02301401,-0.00127383,0.00291796,0.00279671,0.00000951, -0.00003616,-0.00004262,-0.00068712,-0.00062374,0.00092339,-0.00012643 ,-0.00038446,-0.00037877,-0.00012288,0.00011888,0.00287207,0.00046235, -0.00001651,-0.00102956,-0.00015802,-0.00010325,0.00001802,-0.05857835 ,0.01712854,-0.04779836,0.06467998,-0.00009928,-0.00101716,-0.00064769 ,0.00177440,-0.00324320,-0.00056519,-0.00460918,0.00626101,-0.01031506 ,0.00227964,0.00076404,-0.00190827,-0.00011490,0.00012101,0.00001754,0 .00047263,0.00029902,-0.00032131,0.00011361,0.00007909,0.00039612,-0.0 0006420,-0.00011960,-0.00042441,-0.00054202,0.00040247,0.00036616,-0.0 0058779,-0.00056891,0.00090900,0.01752691,-0.08102050,0.08045692,-0.01 985873,0.08835405,-0.00026946,-0.00109902,0.00051001,0.00068994,0.0001 1855,0.00064311,-0.00220729,0.00821940,-0.02036969,0.00179317,-0.00382 646,-0.00248587,-0.00011482,0.00012215,-0.00005196,0.00119529,0.000821 92,-0.00056640,-0.00062454,0.00071739,-0.00006217,-0.00209947,0.000273 42,-0.00027342,0.00033314,-0.00041472,0.00063236,-0.00028677,0.0000357 6,-0.00020985,-0.04590130,0.08179890,-0.25970501,0.04835251,-0.0858700 2,0.28405653,0.00029470,-0.00224963,-0.00101909,0.00062587,0.00049338, 0.00126471,-0.02172914,-0.00478951,0.00202086,0.00083187,0.00353254,-0 .00231870,-0.00012785,-0.00000351,-0.00003693,0.00056920,0.00011680,0. 00029584,-0.00046137,0.00240743,-0.00082615,-0.00103190,-0.00138760,0. 00077990,0.00033305,0.00047767,0.00016391,-0.00013645,0.00007512,-0.00 010380,-0.25866708,-0.07740289,-0.06078286,-0.00643693,-0.00155992,-0. 00332572,0.28234588,0.00034955,0.00097613,0.00099209,0.00104390,-0.003 24330,-0.00277442,0.01124770,0.00527847,0.00134220,0.00055887,-0.00148 221,0.00094262,-0.00000812,0.00005761,0.00010518,-0.00050254,-0.000083 95,-0.00010291,0.00059488,-0.00094715,0.00042057,0.00115156,0.00078198 ,-0.00036090,-0.00061811,0.00011157,0.00027927,-0.00148849,-0.00017632 ,0.00049411,-0.07260715,-0.07004178,-0.01879222,0.01071600,0.00374025, 0.00275422,0.07742825,0.08331168,-0.00012575,0.00061105,0.00103925,0.0 0002289,0.00040535,-0.00119984,0.02330032,0.00729545,0.00108239,0.0007 6574,-0.00241495,0.00120334,0.00010050,0.00002044,0.00004256,-0.000999 23,-0.00019039,-0.00031338,0.00028559,-0.00089549,0.00014063,0.0003607 8,0.00102137,-0.00033927,-0.00065430,-0.00004446,0.00058634,0.00012658 ,0.00001204,0.00012800,-0.05737313,-0.01901061,-0.06397138,-0.03011816 ,-0.00926143,-0.00877260,0.06206033,0.02207093,0.06766808,-0.00266099, -0.00459420,0.00340095,-0.11383530,-0.03344116,0.06857432,0.00266366,0 .02115009,0.00107585,-0.00042083,0.00140424,-0.00383486,0.00491987,-0. 00093923,-0.00025412,-0.00085853,-0.00020551,-0.00063329,-0.01784784,0 .00562538,-0.00165139,-0.00300373,-0.00595919,-0.00173173,-0.00293486, 0.00105384,0.00287077,-0.00074672,0.00077167,0.00076211,-0.07252678,0. 00419488,0.00145168,-0.00081929,0.00601504,-0.00029872,0.00159652,-0.0 2700271,0.00036658,0.52479953,0.00947127,0.01843218,-0.00222930,-0.030 84521,-0.10806111,0.01912356,0.01063881,-0.01670500,-0.01103828,0.0007 2539,-0.00458326,0.00481675,-0.00114333,-0.00088442,-0.00373117,-0.000 71026,-0.00027129,0.00038696,0.00204000,0.00068038,-0.00081712,-0.0001 0179,0.00050636,0.00075310,-0.00212867,0.00068703,-0.00155195,-0.02203 381,-0.00828954,0.02005644,-0.00417052,-0.16116706,0.00297747,-0.00050 322,-0.01170631,-0.00237282,0.00197440,-0.01572522,0.00176242,-0.02405 637,0.45860254,0.02179243,0.00371153,-0.02663688,0.05869294,0.02740668 ,-0.12430228,-0.00346588,-0.02121627,0.00715345,-0.00268366,0.00695719 ,-0.00365266,0.00463542,-0.00325294,-0.00132339,-0.00032865,0.00036731 ,0.00007788,-0.00264192,0.00314928,-0.00091803,-0.00136433,-0.00309179 ,-0.00126371,0.00395483,-0.00118008,-0.00162016,-0.00030439,-0.0018156 4,0.00254620,0.00145218,-0.00299020,-0.08140661,0.00190794,0.02651544, 0.00273071,-0.00013196,-0.00717681,-0.00012706,0.03083456,0.03485654,0 .55163699,-0.00127246,-0.00291978,0.00279569,0.00191469,0.00990544,0.0 2301581,-0.00018277,0.00074435,0.00000062,0.00013787,-0.00019669,-0.00 017854,-0.00068740,0.00062336,0.00092338,0.00000944,0.00003616,-0.0000 4261,-0.00012135,-0.00011933,0.00286989,-0.00012624,0.00038453,-0.0003 7825,-0.00015809,0.00010341,0.00001837,0.00046223,0.00001689,-0.001029 72,-0.00081787,0.00050606,0.00191474,0.00140725,-0.00028275,0.00030092 ,0.00029912,-0.00062387,0.00033604,-0.05856383,-0.01710985,-0.04776701 ,0.06466010,-0.00228064,0.00076164,0.00190971,0.00460836,0.00626427,0. 01032663,-0.00177391,-0.00324451,0.00056476,0.00009960,-0.00101741,0.0 0064739,-0.00047321,0.00029917,0.00032168,0.00011488,0.00012107,-0.000 01755,0.00006517,-0.00011987,0.00042474,-0.00011350,0.00007950,-0.0003 9617,0.00058808,-0.00056863,-0.00090926,0.00054206,0.00040277,-0.00036 637,-0.00600953,-0.01170271,-0.02651777,0.00028297,0.00146275,-0.00021 608,0.00015774,-0.00399670,-0.00060649,-0.01750917,-0.08100251,-0.0804 4071,0.01983781,0.08833536,0.00179196,0.00382702,-0.00248469,-0.002203 97,-0.00821497,-0.02036706,0.00068940,-0.00011910,0.00064356,-0.000269 59,0.00109901,0.00051032,0.00119524,-0.00082143,-0.00056649,-0.0001148 2,-0.00012213,-0.00005201,-0.00209830,-0.00027291,-0.00027266,-0.00062 465,-0.00071721,-0.00006282,-0.00028662,-0.00003582,-0.00020997,0.0003 3316,0.00041474,0.00063252,-0.00030051,0.00237034,0.00272672,0.0003009 2,0.00021590,0.00232727,0.00069723,0.00004865,0.00043550,-0.04587044,- 0.08178157,-0.25974007,0.04831983,0.08585072,0.28409317,0.00083298,-0. 00353236,-0.00231959,-0.02173043,0.00478164,0.00202318,0.00062633,-0.0 0049264,0.00126440,0.00029442,0.00225029,-0.00101861,0.00056928,-0.000 11677,0.00029581,-0.00012788,0.00000348,-0.00003692,-0.00103046,0.0013 8707,0.00077991,-0.00046147,-0.00240693,-0.00082698,-0.00013688,-0.000 07507,-0.00010369,0.00033287,-0.00047767,0.00016408,0.00158950,-0.0019 6964,-0.00013392,0.00029918,-0.00015688,0.00069719,0.00276730,-0.00084 324,0.00037310,-0.25869499,0.07736247,-0.06078794,-0.00643241,0.001557 22,-0.00332457,0.28237508,-0.00055851,-0.00148323,-0.00094364,-0.01125 902,0.00527849,-0.00134135,-0.00104272,-0.00324333,0.00277404,-0.00034 983,0.00097685,-0.00099244,0.00050298,-0.00008395,0.00010303,0.0000080 7,0.00005763,-0.00010518,-0.00115059,0.00078191,0.00036148,-0.00059504 ,-0.00094762,-0.00042103,0.00148843,-0.00017576,-0.00049401,0.00061845 ,0.00011141,-0.00027913,0.02700652,-0.01572050,0.00717688,0.00062503,- 0.00399744,-0.00004933,0.00084353,0.00125320,-0.00014887,0.07256460,-0 .07000762,0.01877911,-0.01071342,0.00373663,-0.00275368,-0.07738431,0. 08327788,0.00076572,0.00241409,0.00120302,0.02329974,-0.00728769,0.001 08247,0.00002259,-0.00040566,-0.00119893,-0.00012566,-0.00061040,0.001 03872,-0.00099931,0.00019023,-0.00031333,0.00010046,-0.00002042,0.0000 4251,0.00036008,-0.00102027,-0.00033934,0.00028531,0.00089485,0.000140 64,0.00012672,-0.00001207,0.00012787,-0.00065407,0.00004423,0.00058607 ,0.00037191,-0.00176457,-0.00012607,0.00033606,0.00060591,0.00043583,0 .00037327,0.00014895,0.00185394,-0.05737801,0.01899843,-0.06397164,-0. 03012246,0.00925570,-0.00877364,0.06206564,-0.02205728,0.06766850,-0.0 0186108,0.00595850,0.00142797,-0.00280509,-0.00032908,-0.00633397,-0.0 0703244,0.00162741,-0.01199469,-0.00082051,-0.00420972,0.00403380,0.00 027199,0.00001052,0.00020904,0.00022249,-0.00017489,0.00005423,0.00316 633,-0.00908351,0.00131551,-0.04715609,-0.03261462,0.06916750,0.000416 09,-0.00030614,0.00012865,0.00018569,-0.00003757,0.00022142,0.00070358 ,0.00070866,-0.00277948,-0.00039426,-0.00036431,0.00152672,0.00057159, -0.00036315,0.00054569,0.00079314,0.00029553,0.00034539,-0.00019378,0. 00001825,0.00004328,0.00012173,-0.00012703,-0.00008438,0.06805822,-0.0 0033289,0.00168157,-0.00002253,-0.00111725,-0.00055270,-0.00161618,-0. 00322793,0.00173098,-0.00414010,-0.00056852,-0.00153753,0.00145952,0.0 0011247,-0.00000999,0.00007370,0.00006123,-0.00001375,-0.00002087,-0.0 0940009,-0.00642628,0.02127411,-0.04496890,-0.17057302,0.14559343,0.00 027516,0.00008546,-0.00005474,0.00027036,-0.00005874,0.00014601,0.0002 3065,-0.00008607,-0.00016337,0.00040600,0.00011209,0.00007436,0.000112 36,-0.00006372,-0.00014139,0.00031281,-0.00010730,0.00020178,0.0000567 4,-0.00009185,-0.00005395,0.00009734,0.00005771,-0.00013346,0.05089385 ,0.17011397,-0.00149964,0.00491106,0.00128826,-0.00186849,-0.00037388, -0.00494816,-0.00713129,0.00114048,-0.01184360,-0.00070725,-0.00446599 ,0.00407183,0.00019784,-0.00002492,0.00017568,0.00034205,-0.00006184,0 .00013107,-0.00279643,-0.00976247,0.00792295,0.08563899,0.15485252,-0. 19992201,0.00028443,-0.00058618,0.00000155,0.00006322,-0.00001424,0.00 010786,0.00168354,0.00033477,0.00032499,-0.00053098,-0.00004752,0.0008 9029,0.00031054,-0.00025825,0.00036015,0.00051277,0.00040388,0.0002788 0,-0.00000939,0.00000733,0.00023068,0.00016516,-0.00001831,0.00003274, -0.08096285,-0.14905886,0.21118398,-0.00082106,0.00420897,0.00403481,- 0.00702982,-0.00162468,-0.01199184,-0.00280608,0.00032998,-0.00633549, -0.00186018,-0.00595986,0.00142660,0.00022252,0.00017494,0.00005428,0. 00027193,-0.00001056,0.00020900,-0.04715751,0.03260495,0.06917905,0.00 316826,0.00908119,0.00131715,0.00018575,0.00003752,0.00022147,0.000415 68,0.00030639,0.00012866,0.00079321,-0.00029547,0.00034540,-0.00019381 ,-0.00001843,0.00004337,0.00012173,0.00012694,-0.00008434,0.00070504,- 0.00070755,-0.00277756,-0.00039364,0.00036408,0.00152641,0.00057137,0. 00036318,0.00054582,-0.00135820,-0.00030295,-0.00097052,0.06805586,0.0 0056873,-0.00153845,-0.00146101,0.00322830,0.00173037,0.00414221,0.001 11779,-0.00055310,0.00161772,0.00033317,0.00168323,0.00002268,-0.00006 139,-0.00001379,0.00002082,-0.00011247,-0.00000999,-0.00007371,0.04495 681,-0.17051897,-0.14559290,0.00940025,-0.00642152,-0.02127534,-0.0002 7037,-0.00005875,-0.00014607,-0.00027535,0.00008491,0.00005440,-0.0003 1287,-0.00010724,-0.00020195,-0.00005669,-0.00009193,0.00005385,-0.000 09737,0.00005767,0.00013346,-0.00023129,-0.00008616,0.00016300,-0.0004 0565,0.00011207,-0.00007460,-0.00011240,-0.00006385,0.00014115,0.00030 305,-0.00014698,0.00081748,-0.05088024,0.17005764,-0.00070728,0.004463 26,0.00407166,-0.00712605,-0.00113654,-0.01183554,-0.00186920,0.000374 61,-0.00494769,-0.00149846,-0.00491065,0.00128643,0.00034188,0.0000618 8,0.00013097,0.00019769,0.00002489,0.00017561,0.08565408,-0.15484760,- 0.19998507,-0.00279320,0.00975771,0.00792052,0.00006338,0.00001424,0.0 0010793,0.00028359,0.00058637,0.00000154,0.00051287,-0.00040375,0.0002 7859,-0.00000937,-0.00000753,0.00023073,0.00016517,0.00001828,0.000032 71,0.00168201,-0.00033425,0.00032475,-0.00053125,0.00004725,0.00088963 ,0.00031013,0.00025790,0.00036011,-0.00097051,-0.00081740,-0.00068591, -0.08098210,0.14905499,0.21124233,-0.00220429,0.00723505,0.00812789,-0 .01351119,-0.00413406,-0.00307846,-0.00028293,0.00063696,-0.00297577,0 .00111913,-0.00509693,-0.00095195,0.00020050,-0.00009863,-0.00040592,0 .00000755,-0.00044623,-0.00018279,-0.13743094,-0.06925784,0.09353797,- 0.02947852,-0.02117374,0.03197468,-0.00003053,-0.00033012,0.00000700,0 .00071117,0.00050246,0.00050671,0.00056046,0.00081815,0.00023303,0.000 17868,-0.00019089,0.00007858,-0.00002301,-0.00020513,-0.00027957,-0.00 249158,0.00161716,-0.00194347,0.00010096,-0.00020881,0.00040925,-0.001 80842,-0.00093770,0.00108558,0.00472837,-0.00065367,0.00090619,-0.0156 0787,-0.00566187,0.00740042,0.33099271,0.00082998,-0.00240427,-0.00255 780,0.00440842,0.00165861,0.00270074,0.00220286,0.00010741,0.00453997, 0.00196971,0.00351222,-0.00155249,-0.00048580,0.00011778,-0.00065042,- 0.00019283,0.00004396,-0.00005241,-0.03209818,-0.10781769,0.02007100,- 0.02217969,-0.04234946,0.01461164,-0.00014761,0.00031107,-0.00006273,- 0.00143332,0.00084442,-0.00056157,-0.00055575,-0.00021698,-0.00037098, 0.00004322,0.00000957,-0.00011767,-0.00038126,0.00019228,0.00015548,0. 00047607,-0.00037456,-0.00074896,0.00020751,0.00025269,0.00089520,0.00 011330,0.00019442,0.00045663,-0.00000001,-0.00395683,-0.00267066,0.015 91377,0.01138726,-0.00588178,-0.01951007,0.35304885,-0.00211480,0.0050 0477,0.00075736,-0.00246786,-0.00053882,-0.00249434,-0.00377461,-0.001 42917,-0.00307973,0.00176667,-0.00118432,0.00657769,0.00026570,-0.0006 9357,0.00125607,0.00036244,0.00019977,0.00028265,0.07910091,0.04230085 ,-0.10330319,0.03834257,0.03007831,-0.01359725,0.00022402,-0.00003629, -0.00005138,0.00053713,-0.00059213,-0.00003137,0.00049412,0.00034944,0 .00013559,-0.00005651,0.00004397,0.00001241,0.00036017,-0.00012620,0.0 0007462,-0.00018556,-0.00000801,0.00070403,-0.00029237,0.00001938,-0.0 0029824,0.00040901,0.00015755,-0.00020416,0.00019240,0.00049170,0.0014 5311,0.01866467,0.01105151,-0.00880180,-0.15891401,-0.04118200,0.17492 080,0.00111580,0.00509994,-0.00094798,-0.00028547,-0.00063513,-0.00297 981,-0.01352516,0.00413632,-0.00308162,-0.00220309,-0.00723879,0.00812 872,0.00000769,0.00044626,-0.00018256,0.00020066,0.00009891,-0.0004057 8,-0.02947418,0.02116002,0.03197559,-0.13742530,0.06923551,0.09354203, 0.00071312,-0.00050189,0.00050757,-0.00003045,0.00032997,0.00000703,-0 .00249136,-0.00161784,-0.00194382,0.00010098,0.00020857,0.00040920,-0. 00180860,0.00093695,0.00108578,0.00056142,-0.00081814,0.00023296,0.000 17852,0.00019095,0.00007868,-0.00002277,0.00020517,-0.00027956,-0.0156 0770,0.00565945,0.00740200,0.00472651,0.00065315,0.00090610,0.02217382 ,-0.00923129,-0.00884560,0.33095040,-0.00197068,0.00351130,0.00155162, -0.00220137,0.00010761,-0.00453811,-0.00440958,0.00165852,-0.00270106, -0.00082911,-0.00240379,0.00255810,0.00019272,0.00004403,0.00005236,0. 00048590,0.00011749,0.00065028,0.02217036,-0.04233474,-0.01461582,0.03 207787,-0.10780269,-0.02006662,0.00143334,0.00084497,0.00056198,0.0001 4755,0.00031087,0.00006279,-0.00047633,-0.00037458,0.00074922,-0.00020 792,0.00025293,-0.00089560,-0.00011354,0.00019454,-0.00045682,0.000555 53,-0.00021682,0.00037093,-0.00004318,0.00000962,0.00011760,0.00038115 ,0.00019241,-0.00015542,-0.01591768,0.01138794,0.00588394,0.00000030,- 0.00395714,0.00266994,0.00923399,-0.06065870,-0.01595554,0.01949596,0. 35297224,0.00176496,0.00118340,0.00657534,-0.00377350,0.00142877,-0.00 307880,-0.00246839,0.00053778,-0.00249291,-0.00211357,-0.00500390,0.00 075718,0.00036239,-0.00019963,0.00028253,0.00026554,0.00069326,0.00125 641,0.03834513,-0.03008312,-0.01360826,0.07909378,-0.04229489,-0.10330 693,0.00053678,0.00059237,-0.00003144,0.00022380,0.00003651,-0.0000513 4,-0.00018601,0.00000753,0.00070352,-0.00029254,-0.00001940,-0.0002980 9,0.00040867,-0.00015711,-0.00020405,0.00049411,-0.00034921,0.00013563 ,-0.00005655,-0.00004384,0.00001253,0.00036017,0.00012630,0.00007460,0 .01866173,-0.01104666,-0.00880212,0.00019369,-0.00049339,0.00145456,-0 .00884320,0.01594016,0.00681852,-0.15888165,0.04122986,0.17493007,0.00 017033,0.00219395,0.00119864,-0.00257410,0.00031809,-0.00124053,-0.002 57546,-0.00031833,-0.00124134,0.00017062,-0.00219416,0.00119919,-0.000 08651,-0.00008579,-0.00005559,-0.00008653,0.00008576,-0.00005563,-0.03 423274,0.01713221,0.02569259,-0.03422781,-0.01713831,0.02568606,0.0002 9031,0.00000111,0.00004995,0.00029023,-0.00000112,0.00004991,-0.000384 42,-0.00014437,0.00063308,-0.00027067,0.00005259,-0.00029724,0.0003324 6,0.00001742,-0.00016488,-0.00038433,0.00014411,0.00063308,-0.00027047 ,-0.00005252,-0.00029724,0.00033258,-0.00001721,-0.00016490,-0.0007316 8,0.00180840,-0.00167993,-0.00073100,-0.00180777,-0.00167983,-0.129367 93,0.03534859,0.02153884,-0.12932883,-0.03530248,0.02151857,0.59520211 ,0.00029553,0.00000212,0.00362469,-0.00317428,-0.00045303,-0.00017593, 0.00317767,-0.00045272,0.00017796,-0.00029465,0.00000396,-0.00362621,0 .00028483,-0.00021713,0.00034078,-0.00028494,-0.00021704,-0.00034098,0 .04387161,0.00780247,-0.03445059,-0.04388263,0.00779109,0.03445610,-0. 00043330,-0.00035929,-0.00010394,0.00043262,-0.00035878,0.00010365,0.0 0035573,0.00044481,0.00071908,0.00002420,-0.00013870,-0.00009431,0.000 52198,-0.00030187,-0.00039729,-0.00035625,0.00044490,-0.00071907,-0.00 002413,-0.00013881,0.00009437,-0.00052202,-0.00030216,0.00039730,0.006 02245,-0.00212221,-0.00132681,-0.00602260,-0.00212265,0.00132664,0.052 44692,-0.14116217,-0.00439143,-0.05240141,-0.14110711,0.00436296,-0.00 004019,0.36735684,-0.00050698,0.00010291,-0.00003992,-0.00098697,-0.00 026792,0.00003007,-0.00098702,0.00026833,0.00003006,-0.00050741,-0.000 10285,-0.00004149,-0.00014576,0.00040375,-0.00028810,-0.00014580,-0.00 040380,-0.00028831,0.02989266,-0.01458384,-0.02118976,0.02987929,0.014 58883,-0.02117528,0.00013967,0.00006220,0.00009264,0.00013943,-0.00006 204,0.00009250,-0.00014802,-0.00006768,-0.00062068,-0.00008095,-0.0001 2906,0.00029204,-0.00037274,0.00013030,0.00026924,-0.00014827,0.000068 00,-0.00062075,-0.00008105,0.00012885,0.00029198,-0.00037291,-0.000130 65,0.00026930,0.00488175,-0.00207451,-0.00245415,0.00488014,0.00207507 ,-0.00245402,0.01583912,0.00142270,-0.07567805,0.01581729,-0.00145167, -0.07567653,-0.03046441,-0.00000808,0.66572672,0.00008750,-0.00001913, -0.00005464,0.00015066,0.00002804,0.00018254,0.00015069,-0.00002798,0. 00018258,0.00008727,0.00001912,-0.00005472,-0.00005127,0.00012757,-0.0 0012703,-0.00005130,-0.00012759,-0.00012712,0.00021949,0.00300418,0.00 178791,0.00021940,-0.00300431,0.00178693,-0.00000168,0.00001419,0.0000 0327,-0.00000171,-0.00001418,0.00000323,-0.00003853,0.00000253,-0.0000 0563,0.00003012,0.00001590,-0.00003771,-0.00004221,0.00001364,-0.00001 196,-0.00003850,-0.00000256,-0.00000568,0.00003014,-0.00001588,-0.0000 3766,-0.00004221,-0.00001365,-0.00001194,-0.00091132,0.00037103,0.0007 1521,-0.00091151,-0.00037123,0.00071517,-0.00894017,0.00687803,0.02166 502,-0.00893929,-0.00688367,0.02166105,-0.06494096,-0.00000193,0.03996 446,0.07583491,0.00002863,0.00004499,-0.00034598,0.00009398,-0.0000368 5,0.00012247,-0.00009406,-0.00003685,-0.00012261,-0.00002867,0.0000448 3,0.00034611,-0.00000025,-0.00000909,0.00003454,0.00000027,-0.00000908 ,-0.00003455,-0.00352215,-0.00557734,-0.00212511,0.00352200,-0.0055778 4,0.00212422,0.00002133,0.00003124,0.00002834,-0.00002131,0.00003122,- 0.00002832,0.00000857,-0.00004430,0.00003815,0.00000477,0.00002157,-0. 00005305,-0.00000771,0.00002700,-0.00001744,-0.00000857,-0.00004429,-0 .00003809,-0.00000479,0.00002155,0.00005300,0.00000770,0.00002700,0.00 001743,-0.00142400,0.00076226,0.00089261,0.00142390,0.00076243,-0.0008 9234,0.01952985,-0.00328240,-0.02810241,-0.01953128,-0.00329088,0.0281 0057,-0.00000322,-0.04936618,0.00002437,0.00000518,0.05902375,-0.00007 054,-0.00001663,0.00008218,-0.00005318,0.00008572,-0.00009569,-0.00005 327,-0.00008581,-0.00009590,-0.00007060,0.00001659,0.00008250,0.000030 13,-0.00005584,0.00004211,0.00003013,0.00005583,0.00004212,-0.00270285 ,-0.00156440,0.00053797,-0.00270113,0.00156292,0.00053816,0.00001913,0 .00000226,-0.00000119,0.00001915,-0.00000227,-0.00000118,0.00000277,0. 00000786,0.00007827,-0.00002803,-0.00000370,-0.00000746,0.00005877,-0. 00001232,-0.00001588,0.00000276,-0.00000788,0.00007825,-0.00002802,0.0 0000371,-0.00000747,0.00005877,0.00001235,-0.00001589,0.00030487,-0.00 005301,-0.00010453,0.00030528,0.00005315,-0.00010459,0.00709099,-0.005 25062,0.00105529,0.00708530,0.00524903,0.00106162,0.05094272,0.0000242 8,-0.31166496,-0.06292515,-0.00002364,0.32623369,0.00021427,-0.0002462 0,-0.00020151,0.00024498,-0.00032759,0.00092573,0.00024508,0.00032766, 0.00092625,0.00021422,0.00024629,-0.00020168,-0.00001872,0.00003396,-0 .00003093,-0.00001872,-0.00003396,-0.00003092,0.00103542,0.00088034,-0 .00136930,0.00103360,-0.00087991,-0.00136902,0.00002479,-0.00001467,0. 00000843,0.00002469,0.00001472,0.00000840,-0.00021119,-0.00006218,-0.0 0027935,0.00002003,-0.00001000,0.00004300,-0.00022475,0.00007686,0.000 08141,-0.00021109,0.00006214,-0.00027927,0.00002000,0.00001000,0.00004 301,-0.00022471,-0.00007693,0.00008138,-0.00036704,-0.00009565,-0.0000 6517,-0.00036718,0.00009571,-0.00006524,-0.01959596,0.01782434,-0.0072 7236,-0.01958670,-0.01781915,-0.00727494,-0.19659519,0.00000479,-0.106 48552,0.00810048,-0.00000019,0.00268201,0.22624370,-0.00015288,0.00011 195,-0.00081279,0.00092056,0.00011682,-0.00010998,-0.00092136,0.000116 78,0.00010952,0.00015276,0.00011143,0.00081323,-0.00004212,0.00002464, -0.00000516,0.00004214,0.00002464,0.00000520,-0.00461722,-0.00239809,0 .00727281,0.00461874,-0.00239597,-0.00727243,0.00011302,0.00005246,0.0 0004305,-0.00011283,0.00005233,-0.00004298,-0.00017944,-0.00012089,-0. 00019176,-0.00002117,0.00002390,0.00001915,-0.00014825,0.00007983,0.00 009765,0.00017950,-0.00012091,0.00019177,0.00002116,0.00002390,-0.0000 1919,0.00014826,0.00007991,-0.00009767,-0.00088650,-0.00018502,-0.0005 7414,0.00088623,-0.00018508,0.00057387,0.03588517,-0.00945746,0.004542 63,-0.03588135,-0.00945803,-0.00454831,0.00000327,-0.04502633,0.000006 77,0.00000269,0.00647727,0.00000241,-0.00001039,0.06205190,-0.00010262 ,-0.00054970,-0.00044158,0.00055831,-0.00014445,0.00057206,0.00055825, 0.00014447,0.00057216,-0.00010277,0.00054972,-0.00044141,0.00002614,-0 .00006089,0.00002036,0.00002615,0.00006090,0.00002041,-0.00234012,-0.0 0095051,-0.00017027,-0.00233930,0.00095016,-0.00017134,-0.00004857,-0. 00003913,-0.00000749,-0.00004858,0.00003912,-0.00000747,-0.00004208,-0 .00001802,-0.00008349,0.00002195,-0.00000636,0.00004123,-0.00004142,0. 00001376,0.00002669,-0.00004207,0.00001800,-0.00008347,0.00002194,0.00 000636,0.00004122,-0.00004141,-0.00001377,0.00002668,0.00006592,0.0000 8241,0.00030653,0.00006605,-0.00008253,0.00030654,0.01037773,0.0008665 7,0.01349137,0.01037013,-0.00087099,0.01348795,-0.11180112,0.00000682, -0.15490255,-0.02526813,0.00000172,-0.01771743,0.12012561,-0.00000366, 0.14511330\\0.00000139,-0.00000119,0.00000191,-0.00000102,0.00000102,- 0.00000295,-0.00000204,-0.00000074,0.,-0.00000103,0.00000011,-0.000000 42,-0.00000086,0.00000009,0.,-0.00000077,0.00000018,0.00000013,0.00000 521,-0.00000138,-0.00000090,0.00000706,-0.00000316,-0.00000110,-0.0000 0167,-0.00000046,-0.00000076,0.00000040,0.00000012,0.00000068,-0.00000 001,0.00000059,0.00000149,0.00000062,-0.00000007,0.00000142,0.00000024 ,0.00000014,0.00000094,0.00000213,-0.00000087,0.00000156,0.00000150,-0 .00000057,0.00000070,0.00000025,0.00000048,0.00000216,0.00000186,0.000 00014,-0.00000001,-0.00000027,-0.00000079,-0.00000097,-0.00001167,0.00 001590,-0.00000143,0.00000573,0.00001372,0.00000189,-0.00000507,-0.000 02139,0.00000096,-0.00000219,0.00000258,-0.00000244,0.00000023,-0.0000 0445,-0.00000286\\\@ NOTHING PUZZLES ME MORE THAN TIME AND SPACE; AND YET NOTHING TROUBLES ME LESS -- CHARLES LAMB (1810) Job cpu time: 0 days 0 hours 33 minutes 1.8 seconds. File lengths (MBytes): RWF= 102 Int= 0 D2E= 0 Chk= 5 Scr= 2 Normal termination of Gaussian 09 at Thu Nov 2 15:50:25 2017.