Default is to use a total of 8 processors: 8 via shared-memory 1 via Linda Entering Link 1 = C:\G09W\l1.exe PID= 6320. Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2013, Gaussian, Inc. All Rights Reserved. This is part of the Gaussian(R) 09 program. It is based on the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.), the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.), the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.), the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.), the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.), the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.), the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon University), and the Gaussian 82(TM) system (copyright 1983, Carnegie Mellon University). Gaussian is a federally registered trademark of Gaussian, Inc. This software contains proprietary and confidential information, including trade secrets, belonging to Gaussian, Inc. This software is provided under written license and may be used, copied, transmitted, or stored only in accord with that written license. The following legend is applicable only to US Government contracts under FAR: RESTRICTED RIGHTS LEGEND Use, reproduction and disclosure by the US Government is subject to restrictions as set forth in subparagraphs (a) and (c) of the Commercial Computer Software - Restricted Rights clause in FAR 52.227-19. Gaussian, Inc. 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492 --------------------------------------------------------------- Warning -- This program may not be used in any manner that competes with the business of Gaussian, Inc. or will provide assistance to any competitor of Gaussian, Inc. The licensee of this program is prohibited from giving any competitor of Gaussian, Inc. access to this program. By using this program, the user acknowledges that Gaussian, Inc. is engaged in the business of creating and licensing software in the field of computational chemistry and represents and warrants to the licensee that it is not a competitor of Gaussian, Inc. and that it will not use this program in any manner prohibited above. --------------------------------------------------------------- Cite this work as: Gaussian 09, Revision D.01, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr., J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, K. N. Kudin, V. N. Staroverov, T. Keith, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2013. ****************************************** Gaussian 09: EM64W-G09RevD.01 13-Apr-2013 25-Jan-2018 ****************************************** %nprocshared=1 Will use up to 1 processors via shared memory. %chk=H:\Yr 3 TS Comp Lab\Exercise 2\Reactants Endo B3LYP MO.chk Default route: MaxDisk=10GB ---------------------------------------------------------------------- # opt=(calcfc,ts,noeigen) b3lyp/6-31g(d) geom=connectivity gfprint int egral=grid=ultrafine pop=full ---------------------------------------------------------------------- 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 -3.86964 0.63467 -0.05066 C -3.86977 -0.77676 -0.05085 H -3.42627 1.17414 0.78249 H -3.42652 -1.31654 0.78216 C -4.1589 1.29554 -1.23034 H -4.02001 2.37449 -1.27878 C -4.159 -1.43725 -1.23075 H -4.02021 -2.51619 -1.27949 C -5.13898 0.70816 -2.22458 H -6.14399 1.069 -1.96585 H -4.9394 1.10143 -3.23047 C -5.13879 -0.8495 -2.22507 H -4.93861 -1.24209 -3.23111 H -6.14385 -1.21074 -1.96709 C -2.30037 0.62081 -2.40751 H -2.60561 1.27526 -3.21247 C -2.30035 -0.76259 -2.40738 H -2.60547 -1.4172 -3.21225 O -1.25896 1.07328 -1.60075 O -1.25902 -1.2148 -1.60044 C -0.46869 -0.07078 -1.30998 H 0.43847 -0.07093 -1.94009 H -0.20042 -0.07062 -0.24982 Add virtual bond connecting atoms C15 and C5 Dist= 4.35D+00. Add virtual bond connecting atoms H16 and H11 Dist= 4.42D+00. Add virtual bond connecting atoms C17 and C7 Dist= 4.35D+00. Add virtual bond connecting atoms H18 and H13 Dist= 4.42D+00. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Initialization pass. ---------------------------- ! Initial Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.4114 calculate D2E/DX2 analytically ! ! R2 R(1,3) 1.0871 calculate D2E/DX2 analytically ! ! R3 R(1,5) 1.3828 calculate D2E/DX2 analytically ! ! R4 R(2,4) 1.0871 calculate D2E/DX2 analytically ! ! R5 R(2,7) 1.3828 calculate D2E/DX2 analytically ! ! R6 R(5,6) 1.0889 calculate D2E/DX2 analytically ! ! R7 R(5,9) 1.5146 calculate D2E/DX2 analytically ! ! R8 R(5,15) 2.3011 calculate D2E/DX2 analytically ! ! R9 R(7,8) 1.0889 calculate D2E/DX2 analytically ! ! R10 R(7,12) 1.5146 calculate D2E/DX2 analytically ! ! R11 R(7,17) 2.3009 calculate D2E/DX2 analytically ! ! R12 R(9,10) 1.0987 calculate D2E/DX2 analytically ! ! R13 R(9,11) 1.0983 calculate D2E/DX2 analytically ! ! R14 R(9,12) 1.5577 calculate D2E/DX2 analytically ! ! R15 R(11,16) 2.3403 calculate D2E/DX2 analytically ! ! R16 R(12,13) 1.0983 calculate D2E/DX2 analytically ! ! R17 R(12,14) 1.0987 calculate D2E/DX2 analytically ! ! R18 R(13,18) 2.3398 calculate D2E/DX2 analytically ! ! R19 R(15,16) 1.0814 calculate D2E/DX2 analytically ! ! R20 R(15,17) 1.3834 calculate D2E/DX2 analytically ! ! R21 R(15,19) 1.3929 calculate D2E/DX2 analytically ! ! R22 R(17,18) 1.0814 calculate D2E/DX2 analytically ! ! R23 R(17,20) 1.3928 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) 1.1045 calculate D2E/DX2 analytically ! ! R27 R(21,23) 1.0936 calculate D2E/DX2 analytically ! ! A1 A(2,1,3) 119.7621 calculate D2E/DX2 analytically ! ! A2 A(2,1,5) 118.5412 calculate D2E/DX2 analytically ! ! A3 A(3,1,5) 120.1316 calculate D2E/DX2 analytically ! ! A4 A(1,2,4) 119.7621 calculate D2E/DX2 analytically ! ! A5 A(1,2,7) 118.5414 calculate D2E/DX2 analytically ! ! A6 A(4,2,7) 120.1302 calculate D2E/DX2 analytically ! ! A7 A(1,5,6) 119.0008 calculate D2E/DX2 analytically ! ! A8 A(1,5,9) 120.6661 calculate D2E/DX2 analytically ! ! A9 A(1,5,15) 97.316 calculate D2E/DX2 analytically ! ! A10 A(6,5,9) 115.9493 calculate D2E/DX2 analytically ! ! A11 A(6,5,15) 99.4834 calculate D2E/DX2 analytically ! ! A12 A(9,5,15) 94.1922 calculate D2E/DX2 analytically ! ! A13 A(2,7,8) 119.0 calculate D2E/DX2 analytically ! ! A14 A(2,7,12) 120.6714 calculate D2E/DX2 analytically ! ! A15 A(2,7,17) 97.3153 calculate D2E/DX2 analytically ! ! A16 A(8,7,12) 115.9481 calculate D2E/DX2 analytically ! ! A17 A(8,7,17) 99.4786 calculate D2E/DX2 analytically ! ! A18 A(12,7,17) 94.1899 calculate D2E/DX2 analytically ! ! A19 A(5,9,10) 108.0563 calculate D2E/DX2 analytically ! ! A20 A(5,9,11) 110.1661 calculate D2E/DX2 analytically ! ! A21 A(5,9,12) 112.8259 calculate D2E/DX2 analytically ! ! A22 A(10,9,11) 105.3247 calculate D2E/DX2 analytically ! ! A23 A(10,9,12) 109.1834 calculate D2E/DX2 analytically ! ! A24 A(11,9,12) 110.9625 calculate D2E/DX2 analytically ! ! A25 A(9,11,16) 101.5815 calculate D2E/DX2 analytically ! ! A26 A(7,12,9) 112.8252 calculate D2E/DX2 analytically ! ! A27 A(7,12,13) 110.1637 calculate D2E/DX2 analytically ! ! A28 A(7,12,14) 108.0599 calculate D2E/DX2 analytically ! ! A29 A(9,12,13) 110.9626 calculate D2E/DX2 analytically ! ! A30 A(9,12,14) 109.1842 calculate D2E/DX2 analytically ! ! A31 A(13,12,14) 105.3234 calculate D2E/DX2 analytically ! ! A32 A(12,13,18) 101.602 calculate D2E/DX2 analytically ! ! A33 A(5,15,16) 88.5888 calculate D2E/DX2 analytically ! ! A34 A(5,15,17) 107.0487 calculate D2E/DX2 analytically ! ! A35 A(5,15,19) 102.2579 calculate D2E/DX2 analytically ! ! A36 A(16,15,17) 127.2469 calculate D2E/DX2 analytically ! ! A37 A(16,15,19) 116.4609 calculate D2E/DX2 analytically ! ! A38 A(17,15,19) 108.9523 calculate D2E/DX2 analytically ! ! A39 A(11,16,15) 104.0193 calculate D2E/DX2 analytically ! ! A40 A(7,17,15) 107.0523 calculate D2E/DX2 analytically ! ! A41 A(7,17,18) 88.5783 calculate D2E/DX2 analytically ! ! A42 A(7,17,20) 102.2669 calculate D2E/DX2 analytically ! ! A43 A(15,17,18) 127.2478 calculate D2E/DX2 analytically ! ! A44 A(15,17,20) 108.9495 calculate D2E/DX2 analytically ! ! A45 A(18,17,20) 116.4626 calculate D2E/DX2 analytically ! ! A46 A(13,18,17) 104.0078 calculate D2E/DX2 analytically ! ! A47 A(15,19,21) 105.8355 calculate D2E/DX2 analytically ! ! A48 A(17,20,21) 105.8398 calculate D2E/DX2 analytically ! ! A49 A(19,21,20) 107.2922 calculate D2E/DX2 analytically ! ! A50 A(19,21,22) 109.8917 calculate D2E/DX2 analytically ! ! A51 A(19,21,23) 109.56 calculate D2E/DX2 analytically ! ! A52 A(20,21,22) 109.8887 calculate D2E/DX2 analytically ! ! A53 A(20,21,23) 109.5628 calculate D2E/DX2 analytically ! ! A54 A(22,21,23) 110.5833 calculate D2E/DX2 analytically ! ! D1 D(3,1,2,4) 0.0014 calculate D2E/DX2 analytically ! ! D2 D(3,1,2,7) -165.7521 calculate D2E/DX2 analytically ! ! D3 D(5,1,2,4) 165.7607 calculate D2E/DX2 analytically ! ! D4 D(5,1,2,7) 0.0072 calculate D2E/DX2 analytically ! ! D5 D(2,1,5,6) -171.1598 calculate D2E/DX2 analytically ! ! D6 D(2,1,5,9) 33.2875 calculate D2E/DX2 analytically ! ! D7 D(2,1,5,15) -66.0246 calculate D2E/DX2 analytically ! ! D8 D(3,1,5,6) -5.4546 calculate D2E/DX2 analytically ! ! D9 D(3,1,5,9) -161.0073 calculate D2E/DX2 analytically ! ! D10 D(3,1,5,15) 99.6805 calculate D2E/DX2 analytically ! ! D11 D(1,2,7,8) 171.1537 calculate D2E/DX2 analytically ! ! D12 D(1,2,7,12) -33.2853 calculate D2E/DX2 analytically ! ! D13 D(1,2,7,17) 66.0249 calculate D2E/DX2 analytically ! ! D14 D(4,2,7,8) 5.4542 calculate D2E/DX2 analytically ! ! D15 D(4,2,7,12) 161.0152 calculate D2E/DX2 analytically ! ! D16 D(4,2,7,17) -99.6746 calculate D2E/DX2 analytically ! ! D17 D(1,5,9,10) 89.2518 calculate D2E/DX2 analytically ! ! D18 D(1,5,9,11) -156.1746 calculate D2E/DX2 analytically ! ! D19 D(1,5,9,12) -31.5582 calculate D2E/DX2 analytically ! ! D20 D(6,5,9,10) -67.0106 calculate D2E/DX2 analytically ! ! D21 D(6,5,9,11) 47.5629 calculate D2E/DX2 analytically ! ! D22 D(6,5,9,12) 172.1793 calculate D2E/DX2 analytically ! ! D23 D(15,5,9,10) -169.6842 calculate D2E/DX2 analytically ! ! D24 D(15,5,9,11) -55.1106 calculate D2E/DX2 analytically ! ! D25 D(15,5,9,12) 69.5058 calculate D2E/DX2 analytically ! ! D26 D(1,5,15,16) -174.185 calculate D2E/DX2 analytically ! ! D27 D(1,5,15,17) 57.0808 calculate D2E/DX2 analytically ! ! D28 D(1,5,15,19) -57.392 calculate D2E/DX2 analytically ! ! D29 D(6,5,15,16) -53.0524 calculate D2E/DX2 analytically ! ! D30 D(6,5,15,17) 178.2134 calculate D2E/DX2 analytically ! ! D31 D(6,5,15,19) 63.7406 calculate D2E/DX2 analytically ! ! D32 D(9,5,15,16) 64.146 calculate D2E/DX2 analytically ! ! D33 D(9,5,15,17) -64.5882 calculate D2E/DX2 analytically ! ! D34 D(9,5,15,19) -179.061 calculate D2E/DX2 analytically ! ! D35 D(2,7,12,9) 31.5214 calculate D2E/DX2 analytically ! ! D36 D(2,7,12,13) 156.1356 calculate D2E/DX2 analytically ! ! D37 D(2,7,12,14) -89.2917 calculate D2E/DX2 analytically ! ! D38 D(8,7,12,9) -172.2081 calculate D2E/DX2 analytically ! ! D39 D(8,7,12,13) -47.5939 calculate D2E/DX2 analytically ! ! D40 D(8,7,12,14) 66.9788 calculate D2E/DX2 analytically ! ! D41 D(17,7,12,9) -69.5414 calculate D2E/DX2 analytically ! ! D42 D(17,7,12,13) 55.0729 calculate D2E/DX2 analytically ! ! D43 D(17,7,12,14) 169.6456 calculate D2E/DX2 analytically ! ! D44 D(2,7,17,15) -57.1112 calculate D2E/DX2 analytically ! ! D45 D(2,7,17,18) 174.1568 calculate D2E/DX2 analytically ! ! D46 D(2,7,17,20) 57.3637 calculate D2E/DX2 analytically ! ! D47 D(8,7,17,15) -178.2416 calculate D2E/DX2 analytically ! ! D48 D(8,7,17,18) 53.0264 calculate D2E/DX2 analytically ! ! D49 D(8,7,17,20) -63.7667 calculate D2E/DX2 analytically ! ! D50 D(12,7,17,15) 64.5625 calculate D2E/DX2 analytically ! ! D51 D(12,7,17,18) -64.1694 calculate D2E/DX2 analytically ! ! D52 D(12,7,17,20) 179.0375 calculate D2E/DX2 analytically ! ! D53 D(5,9,11,16) 35.5338 calculate D2E/DX2 analytically ! ! D54 D(10,9,11,16) 151.8297 calculate D2E/DX2 analytically ! ! D55 D(12,9,11,16) -90.1463 calculate D2E/DX2 analytically ! ! D56 D(5,9,12,7) 0.0251 calculate D2E/DX2 analytically ! ! D57 D(5,9,12,13) -124.1514 calculate D2E/DX2 analytically ! ! D58 D(5,9,12,14) 120.1947 calculate D2E/DX2 analytically ! ! D59 D(10,9,12,7) -120.1399 calculate D2E/DX2 analytically ! ! D60 D(10,9,12,13) 115.6836 calculate D2E/DX2 analytically ! ! D61 D(10,9,12,14) 0.0297 calculate D2E/DX2 analytically ! ! D62 D(11,9,12,7) 124.2051 calculate D2E/DX2 analytically ! ! D63 D(11,9,12,13) 0.0287 calculate D2E/DX2 analytically ! ! D64 D(11,9,12,14) -115.6253 calculate D2E/DX2 analytically ! ! D65 D(9,11,16,15) 19.5328 calculate D2E/DX2 analytically ! ! D66 D(7,12,13,18) -35.4892 calculate D2E/DX2 analytically ! ! D67 D(9,12,13,18) 90.1883 calculate D2E/DX2 analytically ! ! D68 D(14,12,13,18) -151.7875 calculate D2E/DX2 analytically ! ! D69 D(12,13,18,17) -19.5987 calculate D2E/DX2 analytically ! ! D70 D(5,15,16,11) -37.0864 calculate D2E/DX2 analytically ! ! D71 D(17,15,16,11) 73.3818 calculate D2E/DX2 analytically ! ! D72 D(19,15,16,11) -140.0874 calculate D2E/DX2 analytically ! ! D73 D(5,15,17,7) 0.0168 calculate D2E/DX2 analytically ! ! D74 D(5,15,17,18) 101.5901 calculate D2E/DX2 analytically ! ! D75 D(5,15,17,20) -109.8773 calculate D2E/DX2 analytically ! ! D76 D(16,15,17,7) -101.5672 calculate D2E/DX2 analytically ! ! D77 D(16,15,17,18) 0.0061 calculate D2E/DX2 analytically ! ! D78 D(16,15,17,20) 148.5387 calculate D2E/DX2 analytically ! ! D79 D(19,15,17,7) 109.9001 calculate D2E/DX2 analytically ! ! D80 D(19,15,17,18) -148.5265 calculate D2E/DX2 analytically ! ! D81 D(19,15,17,20) 0.006 calculate D2E/DX2 analytically ! ! D82 D(5,15,19,21) 123.7876 calculate D2E/DX2 analytically ! ! D83 D(16,15,19,21) -141.6245 calculate D2E/DX2 analytically ! ! D84 D(17,15,19,21) 10.7192 calculate D2E/DX2 analytically ! ! D85 D(7,17,18,13) 37.1197 calculate D2E/DX2 analytically ! ! D86 D(15,17,18,13) -73.345 calculate D2E/DX2 analytically ! ! D87 D(20,17,18,13) 140.1255 calculate D2E/DX2 analytically ! ! D88 D(7,17,20,21) -123.805 calculate D2E/DX2 analytically ! ! D89 D(15,17,20,21) -10.7295 calculate D2E/DX2 analytically ! ! D90 D(18,17,20,21) 141.614 calculate D2E/DX2 analytically ! ! D91 D(15,19,21,20) -17.2698 calculate D2E/DX2 analytically ! ! D92 D(15,19,21,22) 102.1726 calculate D2E/DX2 analytically ! ! D93 D(15,19,21,23) -136.1369 calculate D2E/DX2 analytically ! ! D94 D(17,20,21,19) 17.2741 calculate D2E/DX2 analytically ! ! D95 D(17,20,21,22) -102.1702 calculate D2E/DX2 analytically ! ! D96 D(17,20,21,23) 136.1394 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 -3.869637 0.634675 -0.050656 2 6 0 -3.869768 -0.776757 -0.050852 3 1 0 -3.426268 1.174144 0.782492 4 1 0 -3.426519 -1.316539 0.782157 5 6 0 -4.158895 1.295541 -1.230335 6 1 0 -4.020012 2.374487 -1.278779 7 6 0 -4.159001 -1.437247 -1.230753 8 1 0 -4.020212 -2.516194 -1.279493 9 6 0 -5.138977 0.708161 -2.224582 10 1 0 -6.143992 1.068996 -1.965852 11 1 0 -4.939395 1.101429 -3.230469 12 6 0 -5.138793 -0.849496 -2.225068 13 1 0 -4.938614 -1.242094 -3.231105 14 1 0 -6.143850 -1.210743 -1.967086 15 6 0 -2.300368 0.620814 -2.407508 16 1 0 -2.605608 1.275256 -3.212473 17 6 0 -2.300345 -0.762591 -2.407382 18 1 0 -2.605473 -1.417203 -3.212250 19 8 0 -1.258963 1.073285 -1.600754 20 8 0 -1.259017 -1.214804 -1.600441 21 6 0 -0.468690 -0.070777 -1.309976 22 1 0 0.438469 -0.070928 -1.940089 23 1 0 -0.200419 -0.070617 -0.249821 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.411432 0.000000 3 H 1.087078 2.167295 0.000000 4 H 2.167295 1.087078 2.490683 0.000000 5 C 1.382771 2.401915 2.145449 3.377789 0.000000 6 H 2.134911 3.385368 2.458087 4.268883 1.088926 7 C 2.401920 1.382776 3.377783 2.145439 2.732788 8 H 3.385364 2.134908 4.268858 2.458057 3.814574 9 C 2.518448 2.922495 3.491849 4.009040 1.514630 10 H 3.004880 3.499446 3.866584 4.541695 2.129065 11 H 3.387248 3.844691 4.289370 4.923061 2.155782 12 C 2.922600 2.518518 4.009149 3.491907 2.559468 13 H 3.844506 3.387179 4.922840 4.289318 3.324249 14 H 3.500045 3.005286 4.542369 3.866965 3.280900 15 C 2.831528 3.157538 3.427816 3.898143 2.301112 16 H 3.464852 3.975513 4.079639 4.832015 2.518329 17 C 3.157402 2.831346 3.897941 3.427577 3.012566 18 H 3.975423 3.464542 4.831847 4.079159 3.701363 19 O 3.067703 3.555440 3.222925 4.010963 2.931930 20 O 3.554960 3.067431 4.010289 3.222606 3.853324 21 C 3.694589 3.694744 3.830864 3.831148 3.935833 22 H 4.756849 4.756923 4.888644 4.888794 4.848375 23 H 3.741693 3.741971 3.608490 3.609019 4.300852 6 7 8 9 10 6 H 0.000000 7 C 3.814570 0.000000 8 H 4.890681 1.088928 0.000000 9 C 2.218844 2.559458 3.541369 0.000000 10 H 2.586052 3.280520 4.223164 1.098726 0.000000 11 H 2.505002 3.324568 4.211698 1.098318 1.746815 12 C 3.541356 1.514631 2.218833 1.557657 2.181337 13 H 4.211302 2.155757 2.505111 2.203799 2.897402 14 H 4.223545 2.129112 2.585890 2.181345 2.279739 15 C 2.703067 3.012455 3.751147 2.845838 3.894788 16 H 2.635910 3.701070 4.484708 2.777676 3.757229 17 C 3.751301 2.300917 2.702813 3.202243 4.280570 18 H 4.485102 2.517972 2.635302 3.451276 4.500646 19 O 3.069232 3.853556 4.540051 3.946769 4.898655 20 O 4.539776 2.931903 3.069336 4.375093 5.404836 21 C 4.311865 3.935977 4.312111 4.822326 5.825660 22 H 5.127908 4.848372 5.127919 5.638778 6.680485 23 H 4.650439 4.301195 4.651010 5.375456 6.290432 11 12 13 14 15 11 H 0.000000 12 C 2.203792 0.000000 13 H 2.343523 1.098324 0.000000 14 H 2.897065 1.098724 1.746803 0.000000 15 C 2.805837 3.201836 3.333029 4.280295 0.000000 16 H 2.340321 3.450589 3.432246 4.500037 1.081404 17 C 3.334161 2.845624 2.805157 3.894513 1.383405 18 H 3.433807 2.777504 2.339779 3.756750 2.212287 19 O 4.025213 4.374921 4.643151 5.404915 1.392877 20 O 4.644040 3.946678 4.024828 4.898575 2.259483 21 C 5.004954 4.822205 5.004292 5.825698 2.244531 22 H 5.653399 5.638549 5.652555 6.680332 2.863253 23 H 5.719777 5.375481 5.719345 6.290728 3.089252 16 17 18 19 20 16 H 0.000000 17 C 2.212279 0.000000 18 H 2.692459 1.081403 0.000000 19 O 2.109949 2.259550 3.257689 0.000000 20 O 3.257661 1.392844 2.109938 2.288089 0.000000 21 C 3.161917 2.244519 3.161859 1.420550 1.420487 22 H 3.563366 2.863191 3.563205 2.075005 2.074915 23 H 4.046432 3.089270 4.046426 2.062534 2.062515 21 22 23 21 C 0.000000 22 H 1.104527 0.000000 23 H 1.093571 1.806982 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 -0.813508 0.705507 1.466844 2 6 0 -0.813639 -0.705925 1.466648 3 1 0 -0.370139 1.244976 2.299992 4 1 0 -0.370390 -1.245707 2.299657 5 6 0 -1.102766 1.366373 0.287165 6 1 0 -0.963883 2.445319 0.238721 7 6 0 -1.102872 -1.366415 0.286747 8 1 0 -0.964083 -2.445362 0.238007 9 6 0 -2.082848 0.778993 -0.707082 10 1 0 -3.087863 1.139827 -0.448352 11 1 0 -1.883266 1.172261 -1.712969 12 6 0 -2.082664 -0.778664 -0.707568 13 1 0 -1.882485 -1.171262 -1.713605 14 1 0 -3.087721 -1.139912 -0.449586 15 6 0 0.755761 0.691646 -0.890008 16 1 0 0.450521 1.346088 -1.694973 17 6 0 0.755784 -0.691759 -0.889882 18 1 0 0.450656 -1.346371 -1.694750 19 8 0 1.797166 1.144117 -0.083254 20 8 0 1.797112 -1.143972 -0.082941 21 6 0 2.587439 0.000055 0.207524 22 1 0 3.494598 -0.000095 -0.422589 23 1 0 2.855710 0.000215 1.267679 --------------------------------------------------------------------- Rotational constants (GHZ): 1.9534334 0.9990846 0.9274552 Standard basis: 6-31G(d) (6D, 7F) AO basis set (Overlap normalization): Atom C1 Shell 1 S 6 bf 1 - 1 -1.537307574781 1.333214663411 2.771933439667 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 -1.537307574781 1.333214663411 2.771933439667 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 -1.537307574781 1.333214663411 2.771933439667 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C1 Shell 4 D 1 bf 10 - 15 -1.537307574781 1.333214663411 2.771933439667 0.8000000000D+00 0.1000000000D+01 Atom C2 Shell 5 S 6 bf 16 - 16 -1.537554679123 -1.334005271822 2.771563053344 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C2 Shell 6 SP 3 bf 17 - 20 -1.537554679123 -1.334005271822 2.771563053344 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C2 Shell 7 SP 1 bf 21 - 24 -1.537554679123 -1.334005271822 2.771563053344 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C2 Shell 8 D 1 bf 25 - 30 -1.537554679123 -1.334005271822 2.771563053344 0.8000000000D+00 0.1000000000D+01 Atom H3 Shell 9 S 3 bf 31 - 31 -0.699461760883 2.352663471881 4.346354987828 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H3 Shell 10 S 1 bf 32 - 32 -0.699461760883 2.352663471881 4.346354987828 0.1612777588D+00 0.1000000000D+01 Atom H4 Shell 11 S 3 bf 33 - 33 -0.699935288435 -2.354045282033 4.345721929573 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H4 Shell 12 S 1 bf 34 - 34 -0.699935288435 -2.354045282033 4.345721929573 0.1612777588D+00 0.1000000000D+01 Atom C5 Shell 13 S 6 bf 35 - 35 -2.083926187126 2.582070321769 0.542663204950 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C5 Shell 14 SP 3 bf 36 - 39 -2.083926187126 2.582070321769 0.542663204950 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C5 Shell 15 SP 1 bf 40 - 43 -2.083926187126 2.582070321769 0.542663204950 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C5 Shell 16 D 1 bf 44 - 49 -2.083926187126 2.582070321769 0.542663204950 0.8000000000D+00 0.1000000000D+01 Atom H6 Shell 17 S 3 bf 50 - 50 -1.821475696441 4.620982818199 0.451117312169 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H6 Shell 18 S 1 bf 51 - 51 -1.821475696441 4.620982818199 0.451117312169 0.1612777588D+00 0.1000000000D+01 Atom C7 Shell 19 S 6 bf 52 - 52 -2.084125627237 -2.582150577501 0.541873299427 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 20 SP 3 bf 53 - 56 -2.084125627237 -2.582150577501 0.541873299427 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 21 SP 1 bf 57 - 60 -2.084125627237 -2.582150577501 0.541873299427 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C7 Shell 22 D 1 bf 61 - 66 -2.084125627237 -2.582150577501 0.541873299427 0.8000000000D+00 0.1000000000D+01 Atom H8 Shell 23 S 3 bf 67 - 67 -1.821852083152 -4.621064875172 0.449768047710 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H8 Shell 24 S 1 bf 68 - 68 -1.821852083152 -4.621064875172 0.449768047710 0.1612777588D+00 0.1000000000D+01 Atom C9 Shell 25 S 6 bf 69 - 69 -3.936012567716 1.472082673511 -1.336191333493 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 C9 Shell 26 SP 3 bf 70 - 73 -3.936012567716 1.472082673511 -1.336191333493 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 C9 Shell 27 SP 1 bf 74 - 77 -3.936012567716 1.472082673511 -1.336191333493 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C9 Shell 28 D 1 bf 78 - 83 -3.936012567716 1.472082673511 -1.336191333493 0.8000000000D+00 0.1000000000D+01 Atom H10 Shell 29 S 3 bf 84 - 84 -5.835215792145 2.153961682402 -0.847262491132 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H10 Shell 30 S 1 bf 85 - 85 -5.835215792145 2.153961682402 -0.847262491132 0.1612777588D+00 0.1000000000D+01 Atom H11 Shell 31 S 3 bf 86 - 86 -3.558857371985 2.215251553940 -3.237042284123 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H11 Shell 32 S 1 bf 87 - 87 -3.558857371985 2.215251553940 -3.237042284123 0.1612777588D+00 0.1000000000D+01 Atom C12 Shell 33 S 6 bf 88 - 88 -3.935664361728 -1.471462465402 -1.337109740394 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C12 Shell 34 SP 3 bf 89 - 92 -3.935664361728 -1.471462465402 -1.337109740394 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C12 Shell 35 SP 1 bf 93 - 96 -3.935664361728 -1.471462465402 -1.337109740394 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C12 Shell 36 D 1 bf 97 - 102 -3.935664361728 -1.471462465402 -1.337109740394 0.8000000000D+00 0.1000000000D+01 Atom H13 Shell 37 S 3 bf 103 - 103 -3.557380749064 -2.213365101930 -3.238244149944 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H13 Shell 38 S 1 bf 104 - 104 -3.557380749064 -2.213365101930 -3.238244149944 0.1612777588D+00 0.1000000000D+01 Atom H14 Shell 39 S 3 bf 105 - 105 -5.834946724549 -2.154120682011 -0.849594413180 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H14 Shell 40 S 1 bf 106 - 106 -5.834946724549 -2.154120682011 -0.849594413180 0.1612777588D+00 0.1000000000D+01 Atom C15 Shell 41 S 6 bf 107 - 107 1.428181068463 1.307021669563 -1.681871376077 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C15 Shell 42 SP 3 bf 108 - 111 1.428181068463 1.307021669563 -1.681871376077 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C15 Shell 43 SP 1 bf 112 - 115 1.428181068463 1.307021669563 -1.681871376077 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C15 Shell 44 D 1 bf 116 - 121 1.428181068463 1.307021669563 -1.681871376077 0.8000000000D+00 0.1000000000D+01 Atom H16 Shell 45 S 3 bf 122 - 122 0.851360855110 2.543737722150 -3.203034772636 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H16 Shell 46 S 1 bf 123 - 123 0.851360855110 2.543737722150 -3.203034772636 0.1612777588D+00 0.1000000000D+01 Atom C17 Shell 47 S 6 bf 124 - 124 1.428224973015 -1.307234911295 -1.681633270585 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C17 Shell 48 SP 3 bf 125 - 128 1.428224973015 -1.307234911295 -1.681633270585 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C17 Shell 49 SP 1 bf 129 - 132 1.428224973015 -1.307234911295 -1.681633270585 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C17 Shell 50 D 1 bf 133 - 138 1.428224973015 -1.307234911295 -1.681633270585 0.8000000000D+00 0.1000000000D+01 Atom H18 Shell 51 S 3 bf 139 - 139 0.851616826145 -2.544272411830 -3.202613363708 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 0.851616826145 -2.544272411830 -3.202613363708 0.1612777588D+00 0.1000000000D+01 Atom O19 Shell 53 S 6 bf 141 - 141 3.396151167692 2.162068274501 -0.157327259467 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 3.396151167692 2.162068274501 -0.157327259467 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 3.396151167692 2.162068274501 -0.157327259467 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 Atom O19 Shell 56 D 1 bf 150 - 155 3.396151167692 2.162068274501 -0.157327259467 0.8000000000D+00 0.1000000000D+01 Atom O20 Shell 57 S 6 bf 156 - 156 3.396049851627 -2.161793303185 -0.156735775188 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 3.396049851627 -2.161793303185 -0.156735775188 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 3.396049851627 -2.161793303185 -0.156735775188 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 Atom O20 Shell 60 D 1 bf 165 - 170 3.396049851627 -2.161793303185 -0.156735775188 0.8000000000D+00 0.1000000000D+01 Atom C21 Shell 61 S 6 bf 171 - 171 4.889551072484 0.000104667296 0.392163526001 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 4.889551072484 0.000104667296 0.392163526001 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 4.889551072484 0.000104667296 0.392163526001 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C21 Shell 64 D 1 bf 180 - 185 4.889551072484 0.000104667296 0.392163526001 0.8000000000D+00 0.1000000000D+01 Atom H22 Shell 65 S 3 bf 186 - 186 6.603833141515 -0.000180392265 -0.798577476770 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 6.603833141515 -0.000180392265 -0.798577476770 0.1612777588D+00 0.1000000000D+01 Atom H23 Shell 67 S 3 bf 188 - 188 5.396509791829 0.000407108967 2.395566134410 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H23 Shell 68 S 1 bf 189 - 189 5.396509791829 0.000407108967 2.395566134410 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 649.1497694038 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=164757679. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RB3LYP) = -500.490586533 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= 3.99D-10 2.39D-06. 58 vectors produced by pass 5 Test12= 8.43D-15 1.39D-09 XBig12= 3.54D-13 6.14D-08. 1 vectors produced by pass 6 Test12= 8.43D-15 1.39D-09 XBig12= 3.00D-16 1.89D-09. InvSVY: IOpt=1 It= 1 EMax= 8.88D-16 Solved reduced A of dimension 389 with 72 vectors. End of Minotr F.D. properties file 721 does not exist. End of Minotr F.D. properties file 722 does not exist. End of Minotr F.D. properties file 788 does not exist. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) The electronic state is 1-A. Alpha occ. eigenvalues -- -19.16815 -19.16814 -10.28602 -10.23738 -10.23677 Alpha occ. eigenvalues -- -10.18578 -10.18561 -10.18500 -10.18498 -10.16918 Alpha occ. eigenvalues -- -10.16869 -1.10211 -1.00641 -0.83058 -0.76110 Alpha occ. eigenvalues -- -0.73599 -0.72996 -0.64146 -0.60785 -0.60673 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 -0.36268 -0.35121 -0.34583 Alpha occ. eigenvalues -- -0.32850 -0.32252 -0.31725 -0.27465 -0.19648 Alpha occ. eigenvalues -- -0.19052 Alpha virt. eigenvalues -- -0.00462 0.01543 0.08100 0.10931 0.11268 Alpha virt. eigenvalues -- 0.11965 0.13058 0.13384 0.14567 0.15450 Alpha virt. eigenvalues -- 0.16965 0.17165 0.17519 0.18002 0.19723 Alpha virt. eigenvalues -- 0.20300 0.21251 0.24290 0.24319 0.24789 Alpha virt. eigenvalues -- 0.30577 0.31743 0.32867 0.37584 0.43553 Alpha virt. eigenvalues -- 0.47078 0.48268 0.48732 0.50574 0.53041 Alpha virt. eigenvalues -- 0.53410 0.54682 0.57017 0.57365 0.58250 Alpha virt. eigenvalues -- 0.58292 0.60597 0.62645 0.64668 0.65172 Alpha virt. eigenvalues -- 0.68029 0.69177 0.72548 0.73815 0.74711 Alpha virt. eigenvalues -- 0.76306 0.80486 0.81303 0.82474 0.83568 Alpha virt. eigenvalues -- 0.84782 0.84911 0.85912 0.86660 0.88230 Alpha virt. eigenvalues -- 0.88806 0.89108 0.89725 0.90402 0.91950 Alpha virt. eigenvalues -- 0.95055 0.96228 0.97337 0.98560 1.01136 Alpha virt. eigenvalues -- 1.05344 1.07612 1.12043 1.12968 1.14032 Alpha virt. eigenvalues -- 1.14811 1.19962 1.20299 1.25152 1.28998 Alpha virt. eigenvalues -- 1.31433 1.32934 1.39992 1.41504 1.44140 Alpha virt. eigenvalues -- 1.46298 1.48673 1.53314 1.56387 1.58414 Alpha virt. eigenvalues -- 1.62901 1.64403 1.67985 1.73242 1.74684 Alpha virt. eigenvalues -- 1.75980 1.79216 1.85800 1.87089 1.89382 Alpha virt. eigenvalues -- 1.89864 1.94418 1.96129 1.96313 1.98887 Alpha virt. eigenvalues -- 2.01317 2.01547 2.02324 2.05926 2.07782 Alpha virt. eigenvalues -- 2.09883 2.11357 2.18123 2.18372 2.23785 Alpha virt. eigenvalues -- 2.26190 2.27823 2.27964 2.31629 2.31861 Alpha virt. eigenvalues -- 2.37240 2.41460 2.44860 2.45990 2.46406 Alpha virt. eigenvalues -- 2.48233 2.51090 2.55041 2.59078 2.63365 Alpha virt. eigenvalues -- 2.64875 2.67413 2.69191 2.70151 2.75476 Alpha virt. eigenvalues -- 2.76759 2.80347 2.88868 2.89675 2.94339 Alpha virt. eigenvalues -- 3.13276 3.13758 4.01188 4.12432 4.12774 Alpha virt. eigenvalues -- 4.22312 4.28836 4.36077 4.37992 4.44863 Alpha virt. eigenvalues -- 4.50900 4.60327 4.87097 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 -0.00002 0.00002 -0.00001 -0.00016 -0.00014 2 2S -0.00007 0.00005 -0.00003 -0.00021 -0.00032 3 2PX -0.00003 0.00006 -0.00004 -0.00009 -0.00005 4 2PY -0.00001 0.00001 0.00001 0.00005 -0.00002 5 2PZ 0.00001 -0.00003 -0.00004 0.00014 0.00014 6 3S 0.00084 -0.00049 0.00056 0.00021 0.00042 7 3PX 0.00008 -0.00006 0.00004 0.00015 0.00041 8 3PY -0.00025 0.00015 0.00012 -0.00018 -0.00110 9 3PZ -0.00025 0.00022 -0.00013 -0.00011 0.00054 10 4XX -0.00005 0.00007 -0.00003 -0.00015 -0.00015 11 4YY -0.00002 0.00005 -0.00001 -0.00013 -0.00013 12 4ZZ -0.00002 0.00003 0.00000 -0.00014 -0.00013 13 4XY -0.00002 0.00000 0.00001 -0.00004 -0.00008 14 4XZ 0.00000 -0.00002 0.00002 -0.00003 -0.00002 15 4YZ 0.00001 -0.00001 0.00000 -0.00004 0.00001 16 2 C 1S 0.00003 0.00000 -0.00001 -0.00016 0.00014 17 2S 0.00008 -0.00002 -0.00003 -0.00021 0.00032 18 2PX 0.00007 0.00002 -0.00004 -0.00009 0.00005 19 2PY -0.00001 0.00000 -0.00001 -0.00005 -0.00003 20 2PZ -0.00002 -0.00001 -0.00004 0.00014 -0.00014 21 3S -0.00092 0.00032 0.00056 0.00021 -0.00042 22 3PX -0.00010 0.00002 0.00004 0.00015 -0.00041 23 3PY -0.00027 0.00009 -0.00012 0.00018 -0.00110 24 3PZ 0.00033 -0.00005 -0.00013 -0.00010 -0.00054 25 4XX 0.00009 0.00001 -0.00003 -0.00015 0.00015 26 4YY 0.00005 0.00001 -0.00001 -0.00013 0.00013 27 4ZZ 0.00004 0.00000 0.00000 -0.00014 0.00013 28 4XY -0.00001 0.00001 -0.00001 0.00004 -0.00008 29 4XZ -0.00002 -0.00001 0.00002 -0.00003 0.00002 30 4YZ 0.00001 0.00000 0.00000 0.00004 0.00001 31 3 H 1S -0.00003 0.00003 -0.00003 0.00005 -0.00002 32 2S 0.00004 -0.00004 -0.00005 -0.00014 -0.00013 33 4 H 1S 0.00004 0.00000 -0.00003 0.00005 0.00002 34 2S -0.00006 0.00000 -0.00005 -0.00014 0.00013 35 5 C 1S 0.00001 -0.00002 0.00003 -0.00009 -0.00025 36 2S 0.00006 -0.00012 0.00008 -0.00039 -0.00093 37 2PX -0.00001 0.00005 0.00004 -0.00006 -0.00005 38 2PY 0.00001 0.00001 -0.00004 0.00007 0.00013 39 2PZ -0.00001 0.00003 0.00002 -0.00002 -0.00005 40 3S -0.00056 0.00087 -0.00054 0.00142 0.00418 41 3PX -0.00002 -0.00015 -0.00018 0.00077 0.00117 42 3PY 0.00025 -0.00034 0.00038 -0.00027 -0.00134 43 3PZ 0.00002 -0.00032 -0.00029 -0.00005 0.00027 44 4XX -0.00002 0.00003 0.00004 -0.00002 -0.00012 45 4YY -0.00001 -0.00001 0.00003 -0.00018 -0.00028 46 4ZZ 0.00000 0.00000 0.00002 -0.00010 -0.00022 47 4XY 0.00000 0.00001 0.00002 -0.00008 -0.00014 48 4XZ -0.00001 0.00001 -0.00002 -0.00008 -0.00009 49 4YZ 0.00000 0.00002 0.00002 0.00000 0.00001 50 6 H 1S 0.00000 0.00000 0.00000 -0.00007 -0.00009 51 2S -0.00004 0.00006 -0.00012 -0.00010 -0.00006 52 7 C 1S -0.00002 -0.00001 0.00003 -0.00009 0.00025 53 2S -0.00013 -0.00004 0.00008 -0.00040 0.00093 54 2PX 0.00004 0.00003 0.00004 -0.00006 0.00005 55 2PY 0.00000 -0.00001 0.00004 -0.00007 0.00013 56 2PZ 0.00003 0.00002 0.00002 -0.00002 0.00005 57 3S 0.00103 0.00014 -0.00054 0.00144 -0.00417 58 3PX -0.00009 -0.00011 -0.00018 0.00078 -0.00116 59 3PY 0.00042 0.00003 -0.00038 0.00028 -0.00133 60 3PZ -0.00025 -0.00019 -0.00029 -0.00005 -0.00027 61 4XX 0.00003 0.00000 0.00004 -0.00002 0.00012 62 4YY -0.00001 -0.00001 0.00003 -0.00018 0.00028 63 4ZZ 0.00000 0.00000 0.00002 -0.00010 0.00022 64 4XY -0.00001 -0.00001 -0.00002 0.00008 -0.00014 65 4XZ 0.00001 0.00000 -0.00002 -0.00008 0.00009 66 4YZ -0.00002 -0.00002 -0.00002 0.00000 0.00001 67 8 H 1S 0.00000 0.00000 0.00000 -0.00007 0.00009 68 2S 0.00007 0.00001 -0.00012 -0.00011 0.00006 69 9 C 1S -0.00001 0.00002 -0.00002 -0.00007 -0.00005 70 2S -0.00007 0.00011 -0.00005 -0.00009 -0.00007 71 2PX -0.00002 0.00000 -0.00004 -0.00013 -0.00014 72 2PY -0.00001 -0.00002 0.00004 0.00003 -0.00001 73 2PZ 0.00001 -0.00002 0.00000 0.00005 -0.00002 74 3S 0.00055 -0.00079 0.00003 0.00021 -0.00052 75 3PX 0.00031 -0.00036 0.00022 0.00031 0.00031 76 3PY -0.00017 0.00000 -0.00017 0.00004 0.00019 77 3PZ 0.00007 -0.00016 0.00006 -0.00028 -0.00052 78 4XX -0.00001 0.00001 -0.00002 -0.00005 -0.00006 79 4YY -0.00001 0.00003 -0.00003 -0.00005 -0.00005 80 4ZZ -0.00001 0.00002 -0.00002 -0.00003 -0.00003 81 4XY -0.00001 -0.00001 0.00000 0.00003 -0.00001 82 4XZ 0.00001 -0.00003 0.00002 -0.00002 -0.00001 83 4YZ 0.00000 0.00000 -0.00001 0.00002 0.00005 84 10 H 1S 0.00000 0.00001 0.00002 0.00000 0.00004 85 2S 0.00008 -0.00006 0.00011 0.00031 0.00036 86 11 H 1S -0.00004 0.00005 -0.00002 -0.00003 -0.00004 87 2S 0.00002 -0.00002 0.00007 -0.00036 -0.00027 88 12 C 1S 0.00002 0.00000 -0.00002 -0.00007 0.00005 89 2S 0.00013 0.00002 -0.00005 -0.00009 0.00007 90 2PX 0.00001 -0.00001 -0.00004 -0.00013 0.00014 91 2PY 0.00001 0.00002 -0.00004 -0.00003 -0.00001 92 2PZ -0.00002 -0.00001 0.00000 0.00005 0.00002 93 3S -0.00096 -0.00009 0.00003 0.00021 0.00052 94 3PX -0.00047 0.00000 0.00022 0.00031 -0.00031 95 3PY -0.00011 0.00013 0.00017 -0.00004 0.00019 96 3PZ -0.00016 -0.00005 0.00006 -0.00029 0.00052 97 4XX 0.00001 -0.00001 -0.00002 -0.00005 0.00005 98 4YY 0.00002 0.00001 -0.00003 -0.00005 0.00004 99 4ZZ 0.00002 0.00001 -0.00002 -0.00003 0.00003 100 4XY 0.00000 0.00001 0.00000 -0.00003 -0.00001 101 4XZ -0.00003 -0.00001 0.00002 -0.00002 0.00001 102 4YZ 0.00000 0.00000 0.00001 -0.00002 0.00005 103 13 H 1S 0.00007 0.00000 -0.00002 -0.00003 0.00004 104 2S -0.00003 0.00000 0.00007 -0.00036 0.00027 105 14 H 1S 0.00001 0.00001 0.00002 0.00000 -0.00004 106 2S -0.00010 0.00002 0.00011 0.00032 -0.00036 107 15 C 1S -0.00001 0.00000 -0.00012 0.70015 0.70425 108 2S -0.00004 0.00029 -0.00037 0.03450 0.03571 109 2PX -0.00014 0.00022 0.00006 0.00042 0.00032 110 2PY -0.00003 0.00015 0.00013 0.00028 -0.00006 111 2PZ -0.00010 0.00020 0.00003 0.00052 0.00061 112 3S 0.00093 -0.00187 0.00100 -0.00722 -0.01893 113 3PX 0.00081 -0.00078 0.00084 0.00005 0.00001 114 3PY 0.00022 -0.00064 -0.00051 -0.00057 0.00447 115 3PZ 0.00073 -0.00074 0.00071 -0.00059 -0.00249 116 4XX -0.00006 0.00008 0.00012 -0.00636 -0.00613 117 4YY -0.00014 0.00005 -0.00003 -0.00641 -0.00591 118 4ZZ -0.00006 0.00002 -0.00006 -0.00633 -0.00609 119 4XY 0.00000 0.00008 -0.00004 0.00009 -0.00004 120 4XZ -0.00004 0.00006 0.00017 0.00020 0.00020 121 4YZ 0.00000 0.00008 0.00001 -0.00008 -0.00001 122 16 H 1S 0.00003 0.00011 0.00006 -0.00027 -0.00008 123 2S 0.00009 0.00004 0.00031 0.00162 0.00089 124 17 C 1S 0.00001 0.00000 -0.00012 0.70391 -0.70049 125 2S 0.00025 0.00016 -0.00037 0.03470 -0.03553 126 2PX 0.00025 0.00004 0.00006 0.00042 -0.00032 127 2PY -0.00013 -0.00008 -0.00013 -0.00028 -0.00007 128 2PZ 0.00022 0.00005 0.00003 0.00052 -0.00061 129 3S -0.00203 -0.00051 0.00100 -0.00732 0.01889 130 3PX -0.00112 0.00011 0.00084 0.00005 -0.00002 131 3PY 0.00063 0.00025 0.00051 0.00054 0.00447 132 3PZ -0.00103 0.00007 0.00071 -0.00060 0.00249 133 4XX 0.00010 0.00001 0.00012 -0.00640 0.00609 134 4YY 0.00013 -0.00007 -0.00003 -0.00644 0.00588 135 4ZZ 0.00006 -0.00003 -0.00006 -0.00636 0.00606 136 4XY -0.00006 -0.00005 0.00004 -0.00009 -0.00004 137 4XZ 0.00007 0.00001 0.00017 0.00020 -0.00020 138 4YZ -0.00005 -0.00005 -0.00001 0.00008 -0.00001 139 18 H 1S 0.00006 0.00010 0.00006 -0.00027 0.00008 140 2S -0.00003 0.00009 0.00031 0.00163 -0.00088 141 19 O 1S -0.34369 0.93131 -0.00006 -0.00003 -0.00013 142 2S -0.00884 0.02418 0.00005 0.00011 -0.00031 143 2PX 0.00006 -0.00011 -0.00010 0.00010 0.00007 144 2PY 0.00033 -0.00081 0.00000 -0.00004 0.00003 145 2PZ 0.00011 -0.00029 -0.00005 0.00003 0.00003 146 3S -0.00480 0.01225 0.00094 -0.00009 0.00324 147 3PX 0.00016 -0.00026 0.00058 -0.00043 -0.00052 148 3PY 0.00005 -0.00039 0.00045 0.00072 -0.00023 149 3PZ 0.00015 -0.00016 0.00039 0.00015 -0.00001 150 4XX 0.00285 -0.00771 -0.00014 -0.00015 -0.00034 151 4YY 0.00284 -0.00779 -0.00049 -0.00001 -0.00036 152 4ZZ 0.00289 -0.00768 0.00005 -0.00005 -0.00033 153 4XY -0.00002 0.00003 0.00025 -0.00004 -0.00016 154 4XZ 0.00000 -0.00003 -0.00017 -0.00030 -0.00037 155 4YZ 0.00000 -0.00001 0.00004 -0.00014 -0.00014 156 20 O 1S 0.93130 0.34371 -0.00006 -0.00003 0.00013 157 2S 0.02413 0.00899 0.00005 0.00011 0.00031 158 2PX -0.00012 -0.00003 -0.00010 0.00010 -0.00007 159 2PY 0.00083 0.00028 0.00000 0.00004 0.00003 160 2PZ -0.00029 -0.00011 -0.00005 0.00003 -0.00003 161 3S 0.01243 0.00431 0.00094 -0.00007 -0.00324 162 3PX -0.00031 -0.00005 0.00058 -0.00043 0.00052 163 3PY 0.00033 0.00022 -0.00045 -0.00072 -0.00023 164 3PZ -0.00022 0.00001 0.00039 0.00015 0.00001 165 4XX -0.00771 -0.00284 -0.00014 -0.00015 0.00034 166 4YY -0.00776 -0.00290 -0.00049 -0.00001 0.00036 167 4ZZ -0.00771 -0.00279 0.00005 -0.00005 0.00033 168 4XY -0.00003 -0.00001 -0.00025 0.00004 -0.00016 169 4XZ -0.00002 -0.00002 -0.00017 -0.00031 0.00037 170 4YZ 0.00001 0.00001 -0.00004 0.00014 -0.00014 171 21 C 1S 0.00001 0.00002 0.99303 0.00002 0.00000 172 2S 0.00015 0.00033 0.04865 -0.00053 0.00000 173 2PX -0.00011 -0.00025 -0.00093 -0.00014 0.00000 174 2PY -0.00040 0.00018 0.00000 0.00000 -0.00006 175 2PZ -0.00003 -0.00006 -0.00040 -0.00001 0.00000 176 3S -0.00116 -0.00251 -0.01346 0.00269 0.00001 177 3PX 0.00034 0.00074 0.00021 -0.00125 0.00000 178 3PY 0.00107 -0.00050 0.00000 0.00000 -0.00003 179 3PZ 0.00005 0.00010 0.00041 -0.00115 0.00000 180 4XX 0.00006 0.00013 -0.00874 0.00018 0.00000 181 4YY 0.00016 0.00034 -0.00875 0.00004 0.00000 182 4ZZ 0.00001 0.00003 -0.00880 -0.00009 0.00000 183 4XY 0.00017 -0.00008 0.00000 0.00000 -0.00004 184 4XZ 0.00002 0.00005 0.00006 0.00017 0.00000 185 4YZ 0.00005 -0.00002 0.00000 0.00000 -0.00006 186 22 H 1S 0.00005 0.00012 -0.00010 -0.00021 0.00000 187 2S -0.00001 -0.00001 0.00276 -0.00014 0.00000 188 23 H 1S 0.00007 0.00015 -0.00017 -0.00001 0.00000 189 2S 0.00006 0.00012 0.00248 0.00023 0.00000 6 7 8 9 10 O O O O O Eigenvalues -- -10.18578 -10.18561 -10.18500 -10.18498 -10.16918 1 1 C 1S 0.00168 0.00238 -0.00994 0.01578 0.69990 2 2S -0.00016 -0.00013 -0.00031 0.00041 0.03480 3 2PX 0.00008 0.00004 -0.00009 0.00010 0.00014 4 2PY 0.00005 -0.00007 0.00010 -0.00011 0.00011 5 2PZ 0.00012 0.00012 0.00006 0.00013 -0.00024 6 3S 0.00106 0.00158 -0.00854 0.00495 -0.00778 7 3PX -0.00017 -0.00023 0.00187 -0.00083 -0.00012 8 3PY 0.00017 0.00036 0.00035 0.00043 -0.00069 9 3PZ -0.00064 -0.00123 0.00467 -0.00240 0.00107 10 4XX -0.00012 -0.00009 0.00009 -0.00023 -0.00668 11 4YY -0.00005 -0.00011 0.00020 -0.00024 -0.00673 12 4ZZ -0.00008 -0.00007 0.00014 -0.00027 -0.00657 13 4XY 0.00003 0.00006 -0.00004 0.00003 0.00002 14 4XZ 0.00004 0.00002 0.00002 -0.00003 0.00010 15 4YZ -0.00004 0.00001 -0.00006 0.00018 0.00001 16 2 C 1S 0.00174 -0.00235 0.01545 0.01042 0.70368 17 2S -0.00016 0.00012 0.00045 0.00025 0.03499 18 2PX 0.00008 -0.00004 0.00013 0.00005 0.00014 19 2PY -0.00005 -0.00007 0.00013 0.00006 -0.00011 20 2PZ 0.00013 -0.00012 0.00000 0.00014 -0.00024 21 3S 0.00110 -0.00155 0.00981 0.00109 -0.00788 22 3PX -0.00018 0.00023 -0.00205 0.00000 -0.00012 23 3PY -0.00018 0.00036 0.00015 -0.00053 0.00067 24 3PZ -0.00067 0.00121 -0.00524 -0.00031 0.00109 25 4XX -0.00012 0.00009 -0.00018 -0.00017 -0.00672 26 4YY -0.00006 0.00011 -0.00028 -0.00014 -0.00676 27 4ZZ -0.00008 0.00007 -0.00023 -0.00019 -0.00660 28 4XY -0.00003 0.00005 -0.00005 -0.00001 -0.00002 29 4XZ 0.00004 -0.00002 -0.00003 -0.00002 0.00010 30 4YZ 0.00004 0.00002 -0.00013 -0.00014 -0.00001 31 3 H 1S -0.00001 -0.00001 -0.00007 -0.00007 -0.00030 32 2S 0.00026 0.00029 -0.00090 0.00043 0.00136 33 4 H 1S -0.00001 0.00001 0.00004 -0.00009 -0.00030 34 2S 0.00027 -0.00028 0.00100 0.00003 0.00137 35 5 C 1S 0.10396 0.14022 -0.53052 0.82108 -0.01368 36 2S 0.00506 0.00706 -0.02796 0.04146 -0.00088 37 2PX 0.00010 -0.00002 -0.00014 0.00007 0.00002 38 2PY 0.00007 -0.00006 0.00048 -0.00023 0.00007 39 2PZ 0.00007 -0.00009 0.00018 -0.00014 -0.00022 40 3S 0.00061 0.00023 0.01977 -0.01731 0.00247 41 3PX -0.00117 -0.00129 -0.00032 0.00010 0.00029 42 3PY -0.00039 -0.00038 -0.00648 0.00258 -0.00054 43 3PZ -0.00129 -0.00141 0.00028 0.00026 0.00130 44 4XX -0.00116 -0.00142 0.00444 -0.00745 0.00008 45 4YY -0.00098 -0.00132 0.00433 -0.00718 0.00013 46 4ZZ -0.00113 -0.00135 0.00439 -0.00723 -0.00004 47 4XY -0.00003 -0.00001 -0.00003 0.00004 0.00000 48 4XZ -0.00006 -0.00009 0.00002 0.00013 -0.00003 49 4YZ -0.00007 -0.00007 0.00000 -0.00008 0.00003 50 6 H 1S -0.00011 -0.00008 0.00015 -0.00013 -0.00003 51 2S 0.00042 0.00025 0.00009 0.00168 0.00004 52 7 C 1S 0.10757 -0.13844 0.81662 0.53712 -0.01375 53 2S 0.00524 -0.00697 0.04231 0.02665 -0.00088 54 2PX 0.00010 0.00003 0.00015 0.00001 0.00002 55 2PY -0.00007 -0.00006 0.00053 0.00002 -0.00007 56 2PZ 0.00007 0.00009 -0.00022 -0.00006 -0.00022 57 3S 0.00061 -0.00020 -0.02508 -0.00786 0.00249 58 3PX -0.00120 0.00126 0.00034 -0.00003 0.00029 59 3PY 0.00040 -0.00037 -0.00697 0.00025 0.00054 60 3PZ -0.00133 0.00137 -0.00015 0.00035 0.00130 61 4XX -0.00120 0.00140 -0.00707 -0.00503 0.00008 62 4YY -0.00102 0.00130 -0.00686 -0.00483 0.00013 63 4ZZ -0.00116 0.00133 -0.00693 -0.00485 -0.00004 64 4XY 0.00003 -0.00001 -0.00004 -0.00002 0.00000 65 4XZ -0.00006 0.00009 0.00003 0.00013 -0.00003 66 4YZ 0.00007 -0.00007 0.00003 0.00008 -0.00003 67 8 H 1S -0.00011 0.00008 -0.00019 -0.00006 -0.00003 68 2S 0.00042 -0.00024 0.00060 0.00157 0.00004 69 9 C 1S 0.68556 0.69690 0.11475 -0.13203 0.00025 70 2S 0.03437 0.03562 0.00642 -0.00699 -0.00017 71 2PX 0.00008 0.00014 -0.00014 -0.00003 0.00002 72 2PY 0.00002 -0.00006 0.00008 -0.00003 0.00004 73 2PZ 0.00002 0.00002 -0.00004 -0.00007 -0.00010 74 3S -0.00958 -0.01810 -0.01169 0.00714 0.00051 75 3PX -0.00047 -0.00112 -0.00225 0.00157 0.00003 76 3PY -0.00107 0.00253 0.00167 0.00024 0.00004 77 3PZ -0.00031 -0.00046 -0.00285 0.00162 0.00041 78 4XX -0.00623 -0.00606 -0.00093 0.00102 -0.00004 79 4YY -0.00654 -0.00599 -0.00084 0.00106 -0.00005 80 4ZZ -0.00623 -0.00608 -0.00086 0.00095 -0.00004 81 4XY -0.00006 0.00001 0.00012 -0.00015 0.00001 82 4XZ -0.00008 -0.00010 0.00003 -0.00008 0.00006 83 4YZ -0.00004 0.00000 0.00011 -0.00013 0.00001 84 10 H 1S -0.00012 0.00015 0.00038 -0.00019 -0.00005 85 2S 0.00179 0.00187 0.00026 -0.00023 -0.00015 86 11 H 1S -0.00009 0.00026 0.00023 -0.00012 0.00001 87 2S 0.00190 0.00213 0.00010 -0.00034 0.00023 88 12 C 1S 0.70246 -0.67970 -0.15861 -0.07527 0.00025 89 2S 0.03523 -0.03476 -0.00871 -0.00385 -0.00017 90 2PX 0.00009 -0.00014 0.00011 -0.00008 0.00002 91 2PY -0.00002 -0.00006 0.00008 -0.00001 -0.00004 92 2PZ 0.00002 -0.00002 0.00001 -0.00008 -0.00010 93 3S -0.01002 0.01786 0.01358 0.00184 0.00051 94 3PX -0.00049 0.00110 0.00269 0.00053 0.00003 95 3PY 0.00101 0.00255 0.00143 -0.00089 -0.00004 96 3PZ -0.00032 0.00046 0.00327 0.00033 0.00041 97 4XX -0.00638 0.00590 0.00126 0.00057 -0.00004 98 4YY -0.00668 0.00582 0.00119 0.00064 -0.00005 99 4ZZ -0.00638 0.00592 0.00117 0.00053 -0.00004 100 4XY 0.00006 0.00001 0.00017 0.00009 -0.00001 101 4XZ -0.00008 0.00010 -0.00006 -0.00006 0.00006 102 4YZ 0.00004 0.00000 0.00015 0.00008 -0.00001 103 13 H 1S -0.00009 -0.00026 -0.00026 -0.00001 0.00001 104 2S 0.00196 -0.00208 -0.00022 -0.00027 0.00023 105 14 H 1S -0.00012 -0.00015 -0.00043 -0.00002 -0.00005 106 2S 0.00183 -0.00183 -0.00033 -0.00010 -0.00015 107 15 C 1S 0.00001 -0.00002 0.00017 -0.00015 0.00001 108 2S -0.00010 -0.00020 0.00118 -0.00081 -0.00027 109 2PX 0.00011 0.00009 -0.00013 0.00012 0.00007 110 2PY -0.00003 -0.00006 0.00009 0.00003 0.00017 111 2PZ 0.00003 0.00005 0.00008 -0.00004 -0.00020 112 3S 0.00044 0.00069 -0.00904 0.00441 0.00075 113 3PX -0.00066 -0.00176 0.00010 -0.00039 0.00033 114 3PY 0.00016 0.00022 0.00208 0.00018 -0.00042 115 3PZ -0.00041 -0.00129 -0.00372 0.00162 0.00096 116 4XX -0.00009 -0.00011 0.00002 -0.00001 -0.00015 117 4YY -0.00007 -0.00013 0.00022 -0.00019 -0.00014 118 4ZZ -0.00012 -0.00011 0.00018 -0.00015 -0.00015 119 4XY -0.00004 0.00003 -0.00005 -0.00005 0.00003 120 4XZ -0.00006 -0.00007 -0.00001 -0.00006 0.00006 121 4YZ -0.00005 -0.00004 0.00003 0.00007 0.00006 122 16 H 1S -0.00006 -0.00025 0.00011 -0.00015 0.00007 123 2S -0.00056 -0.00085 -0.00061 -0.00010 0.00049 124 17 C 1S 0.00001 0.00002 -0.00022 -0.00007 0.00001 125 2S -0.00010 0.00020 -0.00141 -0.00027 -0.00027 126 2PX 0.00012 -0.00009 0.00017 0.00005 0.00007 127 2PY 0.00004 -0.00006 0.00007 -0.00007 -0.00017 128 2PZ 0.00003 -0.00005 -0.00009 -0.00001 -0.00020 129 3S 0.00046 -0.00068 0.01005 0.00039 0.00077 130 3PX -0.00070 0.00174 -0.00025 -0.00032 0.00033 131 3PY -0.00016 0.00022 0.00183 -0.00101 0.00043 132 3PZ -0.00044 0.00127 0.00405 -0.00002 0.00098 133 4XX -0.00009 0.00011 -0.00002 0.00000 -0.00015 134 4YY -0.00007 0.00013 -0.00028 -0.00009 -0.00014 135 4ZZ -0.00012 0.00011 -0.00022 -0.00006 -0.00016 136 4XY 0.00004 0.00003 -0.00003 0.00007 -0.00003 137 4XZ -0.00006 0.00007 -0.00001 -0.00006 0.00006 138 4YZ 0.00005 -0.00004 0.00000 -0.00008 -0.00006 139 18 H 1S -0.00006 0.00024 -0.00016 -0.00009 0.00007 140 2S -0.00058 0.00084 0.00052 -0.00034 0.00049 141 19 O 1S -0.00003 -0.00005 -0.00009 0.00008 0.00004 142 2S -0.00012 -0.00022 -0.00048 0.00037 0.00025 143 2PX 0.00001 0.00001 0.00005 -0.00003 0.00003 144 2PY 0.00000 0.00000 0.00001 -0.00002 -0.00003 145 2PZ 0.00000 0.00001 0.00000 -0.00004 -0.00003 146 3S 0.00062 0.00138 0.00325 -0.00220 -0.00144 147 3PX -0.00021 -0.00035 -0.00136 0.00077 0.00017 148 3PY -0.00010 -0.00014 -0.00047 0.00028 0.00052 149 3PZ -0.00012 -0.00028 -0.00039 0.00041 0.00010 150 4XX -0.00005 -0.00010 -0.00009 0.00014 0.00010 151 4YY -0.00008 -0.00015 -0.00028 0.00020 0.00000 152 4ZZ -0.00007 -0.00012 -0.00030 0.00027 0.00014 153 4XY 0.00004 0.00004 0.00007 -0.00003 -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 0.00012 0.00003 0.00004 157 2S -0.00013 0.00022 0.00059 0.00015 0.00025 158 2PX 0.00001 -0.00001 -0.00006 -0.00001 0.00003 159 2PY 0.00000 0.00000 0.00002 0.00002 0.00003 160 2PZ 0.00000 -0.00001 -0.00002 -0.00004 -0.00003 161 3S 0.00065 -0.00136 -0.00386 -0.00071 -0.00144 162 3PX -0.00022 0.00035 0.00155 0.00015 0.00017 163 3PY 0.00011 -0.00014 -0.00054 -0.00007 -0.00052 164 3PZ -0.00013 0.00028 0.00053 0.00022 0.00010 165 4XX -0.00005 0.00010 0.00013 0.00009 0.00009 166 4YY -0.00008 0.00014 0.00034 0.00007 0.00000 167 4ZZ -0.00007 0.00012 0.00038 0.00012 0.00014 168 4XY -0.00004 0.00004 0.00008 0.00000 0.00003 169 4XZ 0.00003 -0.00003 -0.00005 -0.00002 -0.00003 170 4YZ -0.00002 0.00003 0.00001 -0.00001 0.00000 171 21 C 1S -0.00001 0.00000 0.00000 0.00000 0.00001 172 2S -0.00007 0.00000 0.00001 0.00007 0.00000 173 2PX 0.00001 0.00000 -0.00002 -0.00009 0.00003 174 2PY 0.00000 -0.00002 -0.00007 0.00001 0.00000 175 2PZ 0.00004 0.00000 0.00001 0.00004 -0.00011 176 3S 0.00025 0.00000 -0.00003 -0.00014 0.00050 177 3PX -0.00007 0.00000 0.00003 0.00014 -0.00051 178 3PY 0.00000 0.00010 0.00033 -0.00007 0.00000 179 3PZ -0.00023 0.00000 -0.00010 -0.00046 0.00033 180 4XX -0.00001 0.00000 0.00001 0.00006 -0.00002 181 4YY 0.00000 0.00000 0.00000 0.00001 0.00007 182 4ZZ -0.00003 0.00000 0.00001 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 -0.00003 0.00000 -0.00001 -0.00006 0.00002 187 2S -0.00007 0.00000 -0.00004 -0.00017 0.00030 188 23 H 1S 0.00001 0.00000 0.00001 0.00004 -0.00008 189 2S 0.00010 0.00000 0.00006 0.00026 -0.00018 11 12 13 14 15 O O O O O Eigenvalues -- -10.16869 -1.10211 -1.00641 -0.83058 -0.76110 1 1 C 1S 0.70397 -0.00162 -0.00106 -0.09183 0.02766 2 2S 0.03572 0.00205 0.00129 0.17563 -0.05302 3 2PX 0.00008 0.00094 0.00080 -0.01146 0.00582 4 2PY -0.00029 -0.00019 0.00087 -0.02827 0.01093 5 2PZ -0.00031 -0.00123 -0.00064 -0.05056 0.00538 6 3S -0.01696 0.00148 -0.00885 0.10903 -0.03559 7 3PX 0.00026 0.00115 0.00281 0.00083 0.00033 8 3PY 0.00339 -0.00004 0.00000 -0.00133 0.00318 9 3PZ 0.00282 0.00032 0.00616 -0.00076 0.00016 10 4XX -0.00647 0.00009 0.00023 -0.00844 0.00268 11 4YY -0.00609 -0.00009 -0.00037 0.00290 -0.00093 12 4ZZ -0.00633 -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 -0.70019 -0.00162 0.00106 -0.09184 0.02764 17 2S -0.03553 0.00206 -0.00129 0.17564 -0.05298 18 2PX -0.00008 0.00094 -0.00080 -0.01145 0.00581 19 2PY -0.00029 0.00019 0.00087 0.02828 -0.01096 20 2PZ 0.00030 -0.00123 0.00064 -0.05056 0.00536 21 3S 0.01691 0.00146 0.00885 0.10903 -0.03558 22 3PX -0.00026 0.00114 -0.00281 0.00083 0.00033 23 3PY 0.00339 0.00003 0.00000 0.00133 -0.00319 24 3PZ -0.00281 0.00032 -0.00616 -0.00076 0.00016 25 4XX 0.00644 0.00009 -0.00023 -0.00844 0.00268 26 4YY 0.00605 -0.00009 0.00037 0.00290 -0.00093 27 4ZZ 0.00629 -0.00015 0.00023 0.00103 0.00080 28 4XY 0.00004 0.00003 -0.00002 -0.00046 0.00030 29 4XZ -0.00013 -0.00023 0.00022 0.00449 -0.00189 30 4YZ -0.00013 0.00005 -0.00009 0.00012 0.00017 31 3 H 1S -0.00023 0.00030 0.00023 0.03509 -0.01343 32 2S 0.00081 0.00016 -0.00072 0.00135 -0.00330 33 4 H 1S 0.00023 0.00030 -0.00023 0.03509 -0.01342 34 2S -0.00081 0.00016 0.00072 0.00135 -0.00330 35 5 C 1S -0.01342 -0.00220 -0.00284 -0.09083 0.01509 36 2S -0.00064 0.00217 0.00019 0.16944 -0.02982 37 2PX 0.00005 0.00174 0.00174 -0.01464 0.01409 38 2PY 0.00005 -0.00066 0.00046 -0.04658 0.00964 39 2PZ -0.00010 -0.00015 -0.00041 0.01668 -0.01498 40 3S 0.00373 0.00809 0.02416 0.13002 -0.01719 41 3PX 0.00002 0.00079 0.00466 -0.00259 0.00143 42 3PY -0.00115 -0.00310 -0.01141 -0.01294 -0.00027 43 3PZ 0.00114 -0.00202 0.00116 -0.00367 -0.00732 44 4XX 0.00013 0.00013 0.00000 -0.00594 0.00188 45 4YY 0.00002 -0.00037 -0.00083 0.00085 -0.00037 46 4ZZ -0.00013 -0.00034 -0.00064 -0.00009 -0.00054 47 4XY 0.00005 -0.00009 -0.00020 0.00234 -0.00106 48 4XZ -0.00006 0.00003 0.00010 0.00570 -0.00205 49 4YZ 0.00007 0.00001 -0.00014 -0.00228 0.00148 50 6 H 1S 0.00000 0.00048 0.00093 0.03694 -0.00502 51 2S 0.00002 0.00152 0.00347 0.00571 -0.00021 52 7 C 1S 0.01334 -0.00220 0.00284 -0.09083 0.01505 53 2S 0.00064 0.00217 -0.00019 0.16946 -0.02974 54 2PX -0.00005 0.00174 -0.00174 -0.01463 0.01409 55 2PY 0.00005 0.00066 0.00046 0.04658 -0.00963 56 2PZ 0.00010 -0.00015 0.00041 0.01668 -0.01499 57 3S -0.00372 0.00811 -0.02416 0.13003 -0.01712 58 3PX -0.00002 0.00079 -0.00466 -0.00259 0.00143 59 3PY -0.00115 0.00311 -0.01141 0.01294 0.00028 60 3PZ -0.00113 -0.00202 -0.00117 -0.00367 -0.00733 61 4XX -0.00013 0.00013 0.00000 -0.00594 0.00188 62 4YY -0.00002 -0.00037 0.00083 0.00085 -0.00037 63 4ZZ 0.00013 -0.00034 0.00064 -0.00009 -0.00054 64 4XY 0.00005 0.00009 -0.00020 -0.00234 0.00106 65 4XZ 0.00006 0.00003 -0.00010 0.00570 -0.00205 66 4YZ 0.00007 -0.00001 -0.00014 0.00227 -0.00148 67 8 H 1S 0.00000 0.00048 -0.00093 0.03695 -0.00500 68 2S -0.00002 0.00152 -0.00347 0.00571 -0.00021 69 9 C 1S 0.00018 -0.00040 -0.00005 -0.08489 0.01848 70 2S -0.00018 0.00221 0.00292 0.15995 -0.03379 71 2PX -0.00002 0.00109 0.00093 0.02348 0.00350 72 2PY -0.00003 -0.00046 0.00039 -0.01949 0.00478 73 2PZ -0.00008 0.00003 -0.00028 0.02742 -0.00889 74 3S 0.00038 -0.00405 -0.01573 0.11480 -0.03572 75 3PX -0.00003 -0.00389 -0.00930 0.00065 -0.00035 76 3PY -0.00019 0.00019 0.00659 -0.00433 -0.00036 77 3PZ 0.00036 -0.00046 -0.00061 0.00303 -0.00253 78 4XX -0.00003 0.00020 0.00022 -0.00109 0.00101 79 4YY -0.00004 0.00035 0.00009 0.00166 -0.00025 80 4ZZ -0.00003 0.00026 0.00026 -0.00010 0.00003 81 4XY 0.00000 -0.00015 0.00021 0.00007 -0.00015 82 4XZ 0.00004 -0.00011 -0.00020 0.00254 -0.00072 83 4YZ -0.00005 0.00007 0.00013 0.00008 0.00002 84 10 H 1S -0.00006 0.00003 -0.00006 0.04104 -0.01214 85 2S -0.00009 -0.00141 -0.00301 0.00393 -0.00228 86 11 H 1S 0.00000 0.00076 0.00135 0.03969 -0.00619 87 2S 0.00024 0.00037 0.00023 0.00578 0.00200 88 12 C 1S -0.00018 -0.00040 0.00005 -0.08489 0.01845 89 2S 0.00018 0.00221 -0.00292 0.15996 -0.03375 90 2PX 0.00002 0.00109 -0.00093 0.02348 0.00351 91 2PY -0.00003 0.00046 0.00039 0.01948 -0.00480 92 2PZ 0.00008 0.00003 0.00028 0.02744 -0.00888 93 3S -0.00038 -0.00406 0.01573 0.11480 -0.03570 94 3PX 0.00003 -0.00391 0.00929 0.00065 -0.00035 95 3PY -0.00019 -0.00020 0.00660 0.00433 0.00035 96 3PZ -0.00036 -0.00046 0.00062 0.00302 -0.00252 97 4XX 0.00003 0.00020 -0.00022 -0.00109 0.00101 98 4YY 0.00004 0.00035 -0.00009 0.00166 -0.00025 99 4ZZ 0.00003 0.00026 -0.00026 -0.00009 0.00003 100 4XY 0.00000 0.00015 0.00021 -0.00007 0.00015 101 4XZ -0.00004 -0.00011 0.00020 0.00254 -0.00072 102 4YZ -0.00005 -0.00008 0.00013 -0.00008 -0.00002 103 13 H 1S 0.00000 0.00076 -0.00135 0.03970 -0.00616 104 2S -0.00023 0.00037 -0.00023 0.00578 0.00201 105 14 H 1S 0.00006 0.00003 0.00006 0.04104 -0.01213 106 2S 0.00009 -0.00141 0.00301 0.00393 -0.00229 107 15 C 1S -0.00004 -0.05689 -0.04431 -0.02681 -0.12476 108 2S -0.00045 0.10583 0.08761 0.05410 0.25046 109 2PX 0.00004 0.06057 0.06093 -0.01601 0.01406 110 2PY -0.00002 -0.00989 0.04421 -0.01435 -0.07149 111 2PZ -0.00021 0.04380 0.04509 0.00182 -0.00957 112 3S 0.00396 0.03633 -0.01198 0.03269 0.17747 113 3PX 0.00118 -0.00348 -0.02172 -0.00391 -0.00558 114 3PY -0.00190 0.00075 0.01849 -0.00248 -0.00958 115 3PZ 0.00246 -0.00644 -0.03019 -0.00113 -0.00913 116 4XX -0.00010 0.00423 0.00654 -0.00158 -0.01042 117 4YY -0.00008 -0.00144 -0.00863 0.00141 0.00622 118 4ZZ -0.00014 -0.00125 0.00163 -0.00085 -0.00708 119 4XY 0.00005 0.00187 0.00594 -0.00004 -0.00010 120 4XZ 0.00010 0.01133 0.01154 -0.00049 0.00502 121 4YZ -0.00003 0.00107 0.00373 -0.00095 -0.00227 122 16 H 1S 0.00014 0.01240 0.01389 0.01617 0.06953 123 2S 0.00108 -0.00543 -0.01045 0.00405 0.01114 124 17 C 1S 0.00004 -0.05690 0.04429 -0.02681 -0.12477 125 2S 0.00045 0.10585 -0.08758 0.05410 0.25049 126 2PX -0.00004 0.06059 -0.06091 -0.01602 0.01406 127 2PY -0.00002 0.00989 0.04420 0.01434 0.07147 128 2PZ 0.00021 0.04382 -0.04509 0.00181 -0.00957 129 3S -0.00396 0.03633 0.01199 0.03270 0.17749 130 3PX -0.00118 -0.00348 0.02172 -0.00392 -0.00558 131 3PY -0.00190 -0.00075 0.01849 0.00248 0.00957 132 3PZ -0.00246 -0.00645 0.03019 -0.00114 -0.00914 133 4XX 0.00010 0.00423 -0.00654 -0.00158 -0.01042 134 4YY 0.00008 -0.00144 0.00863 0.00141 0.00622 135 4ZZ 0.00014 -0.00125 -0.00163 -0.00085 -0.00708 136 4XY 0.00005 -0.00187 0.00593 0.00004 0.00010 137 4XZ -0.00010 0.01133 -0.01154 -0.00050 0.00503 138 4YZ -0.00003 -0.00107 0.00372 0.00095 0.00227 139 18 H 1S -0.00014 0.01240 -0.01389 0.01617 0.06954 140 2S -0.00108 -0.00543 0.01045 0.00404 0.01114 141 19 O 1S 0.00001 -0.13067 -0.15227 0.00875 0.01667 142 2S 0.00011 0.28287 0.33394 -0.02045 -0.03953 143 2PX 0.00005 -0.01174 -0.01917 -0.02293 -0.13338 144 2PY 0.00003 -0.08697 -0.06066 0.00894 0.03453 145 2PZ -0.00005 -0.02444 -0.03105 -0.00870 -0.08494 146 3S -0.00136 0.28631 0.35996 -0.02062 -0.04326 147 3PX 0.00044 -0.00341 -0.01863 -0.01058 -0.06053 148 3PY 0.00022 -0.05251 -0.03655 0.00389 0.01468 149 3PZ 0.00039 -0.01119 -0.02087 -0.00436 -0.03986 150 4XX -0.00007 -0.00064 0.00054 0.00086 0.00156 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 0.00030 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 -0.13072 0.15222 0.00875 0.01667 157 2S -0.00011 0.28297 -0.33385 -0.02046 -0.03953 158 2PX -0.00005 -0.01174 0.01916 -0.02294 -0.13343 159 2PY 0.00003 0.08699 -0.06062 -0.00895 -0.03456 160 2PZ 0.00005 -0.02448 0.03107 -0.00870 -0.08496 161 3S 0.00135 0.28641 -0.35986 -0.02062 -0.04326 162 3PX -0.00044 -0.00341 0.01863 -0.01059 -0.06055 163 3PY 0.00022 0.05252 -0.03652 -0.00389 -0.01469 164 3PZ -0.00039 -0.01122 0.02088 -0.00436 -0.03987 165 4XX 0.00007 -0.00064 -0.00054 0.00086 0.00155 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 -0.00752 171 21 C 1S 0.00000 -0.08379 -0.00001 0.01970 0.11339 172 2S 0.00000 0.16131 0.00002 -0.04075 -0.23762 173 2PX 0.00000 -0.07989 0.00000 0.00552 -0.00194 174 2PY 0.00001 -0.00003 0.12924 0.00001 0.00002 175 2PZ 0.00000 -0.03331 -0.00002 0.00181 -0.01808 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 0.00248 0.00000 0.00090 -0.00530 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 -0.00722 0.00000 0.00095 0.00332 183 4XY 0.00001 0.00001 -0.02357 0.00000 0.00000 184 4XZ 0.00000 0.00742 0.00000 -0.00020 0.00307 185 4YZ -0.00003 0.00000 -0.00928 0.00000 0.00000 186 22 H 1S 0.00000 0.02520 0.00000 -0.00996 -0.06750 187 2S 0.00000 -0.00134 0.00000 -0.00091 -0.01200 188 23 H 1S 0.00000 0.02480 0.00000 -0.01054 -0.07837 189 2S 0.00000 0.00199 0.00000 -0.00171 -0.01785 16 17 18 19 20 O O O O O Eigenvalues -- -0.73599 -0.72996 -0.64146 -0.60785 -0.60673 1 1 C 1S 0.10625 0.06308 0.00399 -0.04835 -0.06563 2 2S -0.20697 -0.12599 -0.00650 0.09824 0.13436 3 2PX -0.01157 0.01281 0.00191 -0.00082 0.01190 4 2PY 0.05073 -0.07625 0.00061 0.06201 0.08476 5 2PZ 0.00459 0.05686 -0.00505 -0.01322 -0.01741 6 3S -0.14963 -0.07281 -0.00992 0.07461 0.09841 7 3PX -0.00587 -0.00393 0.00029 0.00549 0.00893 8 3PY 0.00539 -0.02419 0.00030 0.01613 0.03216 9 3PZ -0.00675 -0.00813 0.00103 0.01107 0.01450 10 4XX 0.00960 0.00421 0.00026 -0.00310 -0.00408 11 4YY -0.00497 0.00622 0.00001 -0.00451 -0.00599 12 4ZZ 0.00307 -0.00539 0.00065 0.00166 0.00266 13 4XY -0.00112 0.00055 -0.00029 0.00065 0.00208 14 4XZ -0.00307 -0.00449 -0.00056 0.00306 0.00270 15 4YZ -0.00148 0.00492 0.00012 -0.00014 -0.00035 16 2 C 1S 0.10623 -0.06312 0.00401 0.04836 0.06561 17 2S -0.20693 0.12607 -0.00654 -0.09827 -0.13432 18 2PX -0.01159 -0.01280 0.00191 0.00083 -0.01188 19 2PY -0.05075 -0.07621 -0.00058 0.06197 0.08478 20 2PZ 0.00456 -0.05689 -0.00505 0.01322 0.01745 21 3S -0.14961 0.07287 -0.00994 -0.07464 -0.09838 22 3PX -0.00587 0.00393 0.00028 -0.00549 -0.00891 23 3PY -0.00539 -0.02419 -0.00029 0.01613 0.03217 24 3PZ -0.00675 0.00813 0.00102 -0.01107 -0.01448 25 4XX 0.00960 -0.00422 0.00026 0.00310 0.00408 26 4YY -0.00498 -0.00622 0.00001 0.00451 0.00599 27 4ZZ 0.00307 0.00540 0.00065 -0.00166 -0.00266 28 4XY 0.00112 0.00055 0.00029 0.00065 0.00208 29 4XZ -0.00307 0.00449 -0.00056 -0.00306 -0.00270 30 4YZ 0.00148 0.00491 -0.00012 -0.00013 -0.00035 31 3 H 1S -0.06029 -0.03697 -0.00390 0.04617 0.06531 32 2S -0.01165 -0.00208 -0.00249 0.01540 0.02002 33 4 H 1S -0.06028 0.03699 -0.00391 -0.04619 -0.06530 34 2S -0.01165 0.00209 -0.00250 -0.01540 -0.02002 35 5 C 1S 0.01113 0.12383 -0.00143 -0.02139 -0.01667 36 2S -0.02092 -0.24000 0.00196 0.04441 0.03373 37 2PX -0.05209 0.01857 0.00997 0.01744 0.08374 38 2PY 0.01252 0.00644 -0.00241 -0.00629 -0.00172 39 2PZ -0.09372 -0.01780 -0.00584 0.08371 0.12421 40 3S -0.02241 -0.20501 0.00936 0.04139 0.03933 41 3PX -0.00829 0.00454 0.00047 0.00299 0.02182 42 3PY 0.00893 0.00114 -0.00471 0.00029 -0.00144 43 3PZ -0.01618 0.00331 -0.00342 0.02815 0.02692 44 4XX 0.00488 0.00729 -0.00114 -0.00467 -0.00498 45 4YY -0.00068 0.00066 0.00007 0.00062 0.00077 46 4ZZ -0.00140 0.00084 -0.00008 0.00134 0.00141 47 4XY 0.00412 -0.00285 -0.00111 -0.00090 -0.00273 48 4XZ 0.00257 -0.00642 -0.00095 0.00057 -0.00398 49 4YZ 0.00795 0.00210 0.00051 -0.00334 -0.00518 50 6 H 1S -0.00369 -0.07761 0.00070 0.01219 0.01481 51 2S -0.00328 -0.01834 -0.00130 0.00153 0.00672 52 7 C 1S 0.01109 -0.12384 -0.00142 0.02136 0.01668 53 2S -0.02084 0.24001 0.00194 -0.04436 -0.03375 54 2PX -0.05210 -0.01854 0.00995 -0.01742 -0.08372 55 2PY -0.01248 0.00644 0.00241 -0.00629 -0.00167 56 2PZ -0.09373 0.01783 -0.00587 -0.08373 -0.12422 57 3S -0.02235 0.20503 0.00933 -0.04134 -0.03936 58 3PX -0.00829 -0.00453 0.00047 -0.00298 -0.02182 59 3PY -0.00893 0.00113 0.00471 0.00029 -0.00143 60 3PZ -0.01618 -0.00331 -0.00343 -0.02816 -0.02692 61 4XX 0.00488 -0.00730 -0.00114 0.00467 0.00497 62 4YY -0.00068 -0.00066 0.00007 -0.00061 -0.00076 63 4ZZ -0.00140 -0.00084 -0.00008 -0.00135 -0.00141 64 4XY -0.00412 -0.00285 0.00111 -0.00090 -0.00273 65 4XZ 0.00257 0.00642 -0.00095 -0.00057 0.00398 66 4YZ -0.00795 0.00210 -0.00051 -0.00334 -0.00518 67 8 H 1S -0.00367 0.07762 0.00069 -0.01215 -0.01483 68 2S -0.00327 0.01835 -0.00130 -0.00151 -0.00673 69 9 C 1S -0.11053 0.06891 0.01227 0.03309 0.09313 70 2S 0.21309 -0.13382 -0.02384 -0.06829 -0.18832 71 2PX -0.01341 -0.02894 0.01597 0.00114 0.01620 72 2PY -0.03719 -0.06701 0.00485 -0.03380 -0.09449 73 2PZ -0.01864 -0.03269 -0.00231 0.01847 0.01664 74 3S 0.18635 -0.10961 -0.02842 -0.05824 -0.18518 75 3PX -0.00303 -0.00106 0.00732 0.00235 0.00801 76 3PY -0.00610 -0.01618 -0.00043 -0.01283 -0.03924 77 3PZ -0.00681 -0.00447 -0.00204 0.00837 0.01285 78 4XX -0.00239 -0.00240 0.00072 -0.00101 -0.00229 79 4YY 0.00372 0.00769 -0.00059 0.00372 0.01033 80 4ZZ -0.00301 -0.00347 0.00014 -0.00022 -0.00214 81 4XY -0.00093 -0.00241 0.00011 0.00031 0.00186 82 4XZ -0.00305 -0.00336 0.00019 0.00215 0.00334 83 4YZ -0.00125 -0.00256 0.00009 0.00180 0.00216 84 10 H 1S 0.06860 -0.04511 -0.01416 -0.02864 -0.08878 85 2S 0.01635 -0.00859 -0.00340 -0.01099 -0.03295 86 11 H 1S 0.07126 -0.04461 -0.00443 -0.04036 -0.09041 87 2S 0.01671 -0.01069 0.00243 -0.01905 -0.03190 88 12 C 1S -0.11056 -0.06887 0.01225 -0.03308 -0.09313 89 2S 0.21315 0.13375 -0.02380 0.06827 0.18832 90 2PX -0.01340 0.02895 0.01597 -0.00110 -0.01618 91 2PY 0.03717 -0.06704 -0.00486 -0.03382 -0.09448 92 2PZ -0.01861 0.03267 -0.00232 -0.01848 -0.01672 93 3S 0.18640 0.10955 -0.02839 0.05821 0.18519 94 3PX -0.00303 0.00106 0.00733 -0.00233 -0.00800 95 3PY 0.00610 -0.01619 0.00043 -0.01283 -0.03924 96 3PZ -0.00680 0.00447 -0.00204 -0.00838 -0.01288 97 4XX -0.00239 0.00240 0.00072 0.00101 0.00229 98 4YY 0.00371 -0.00769 -0.00060 -0.00372 -0.01033 99 4ZZ -0.00301 0.00347 0.00014 0.00022 0.00214 100 4XY 0.00093 -0.00241 -0.00011 0.00031 0.00187 101 4XZ -0.00305 0.00336 0.00019 -0.00215 -0.00334 102 4YZ 0.00125 -0.00256 -0.00009 0.00180 0.00215 103 13 H 1S 0.07128 0.04459 -0.00440 0.04036 0.09042 104 2S 0.01672 0.01068 0.00245 0.01905 0.03190 105 14 H 1S 0.06862 0.04509 -0.01415 0.02863 0.08878 106 2S 0.01635 0.00859 -0.00340 0.01098 0.03295 107 15 C 1S 0.00173 0.01293 -0.06745 0.08896 -0.04430 108 2S -0.00363 -0.02436 0.13629 -0.18384 0.08986 109 2PX -0.00412 0.01291 -0.08223 -0.01908 0.01220 110 2PY 0.00113 -0.01630 -0.14873 -0.12298 0.06084 111 2PZ -0.00958 -0.00039 -0.09432 0.01958 0.00111 112 3S -0.00389 -0.03259 0.12090 -0.17267 0.10050 113 3PX -0.00272 0.00414 -0.02111 0.01073 0.00594 114 3PY -0.00055 0.00232 -0.02742 -0.02810 0.01110 115 3PZ -0.00227 -0.00542 -0.02662 0.01790 0.00356 116 4XX 0.00085 0.00051 -0.01165 0.00359 -0.00220 117 4YY -0.00005 0.00106 0.00675 0.00673 -0.00334 118 4ZZ -0.00072 0.00001 -0.00618 -0.00038 0.00093 119 4XY -0.00031 0.00114 -0.00834 -0.00292 0.00201 120 4XZ 0.00024 0.00031 -0.00653 -0.00770 0.00377 121 4YZ -0.00009 0.00037 -0.00738 0.00401 -0.00077 122 16 H 1S 0.00349 -0.01588 0.05609 -0.11176 0.04876 123 2S 0.00438 -0.00904 0.01647 -0.04742 0.01814 124 17 C 1S 0.00173 -0.01289 -0.06742 -0.08895 0.04432 125 2S -0.00362 0.02427 0.13623 0.18383 -0.08990 126 2PX -0.00413 -0.01293 -0.08225 0.01907 -0.01218 127 2PY -0.00113 -0.01633 0.14875 -0.12300 0.06080 128 2PZ -0.00959 0.00039 -0.09437 -0.01956 -0.00110 129 3S -0.00388 0.03253 0.12085 0.17266 -0.10055 130 3PX -0.00273 -0.00415 -0.02112 -0.01073 -0.00594 131 3PY 0.00055 0.00231 0.02742 -0.02811 0.01110 132 3PZ -0.00227 0.00542 -0.02663 -0.01790 -0.00356 133 4XX 0.00085 -0.00050 -0.01165 -0.00359 0.00221 134 4YY -0.00005 -0.00106 0.00676 -0.00673 0.00334 135 4ZZ -0.00072 -0.00001 -0.00619 0.00038 -0.00093 136 4XY 0.00031 0.00114 0.00834 -0.00292 0.00201 137 4XZ 0.00024 -0.00031 -0.00654 0.00770 -0.00377 138 4YZ 0.00009 0.00037 0.00738 0.00401 -0.00077 139 18 H 1S 0.00350 0.01586 0.05606 0.11176 -0.04877 140 2S 0.00438 0.00904 0.01646 0.04743 -0.01814 141 19 O 1S -0.00040 -0.00740 0.06977 -0.02374 0.01370 142 2S 0.00086 0.01625 -0.16286 0.05610 -0.03030 143 2PX 0.01218 0.01780 0.10116 0.18339 -0.10590 144 2PY -0.00340 -0.00707 -0.08530 -0.05091 0.02918 145 2PZ 0.00148 0.00516 0.04050 0.12351 -0.06106 146 3S 0.00176 0.02377 -0.21440 0.06891 -0.04970 147 3PX 0.00513 0.00622 0.04070 0.08587 -0.04664 148 3PY -0.00171 -0.00427 -0.04645 -0.02032 0.01397 149 3PZ -0.00045 0.00187 0.01497 0.06026 -0.02589 150 4XX -0.00036 -0.00108 0.00066 -0.00275 0.00225 151 4YY 0.00037 0.00002 0.00964 0.00355 -0.00123 152 4ZZ -0.00016 -0.00089 -0.00013 -0.00464 0.00289 153 4XY -0.00100 -0.00057 -0.00458 -0.00761 0.00411 154 4XZ 0.00018 -0.00028 0.00005 -0.00575 0.00240 155 4YZ -0.00006 -0.00012 0.00057 -0.00444 0.00203 156 20 O 1S -0.00040 0.00740 0.06976 0.02375 -0.01372 157 2S 0.00086 -0.01624 -0.16284 -0.05610 0.03035 158 2PX 0.01219 -0.01775 0.10123 -0.18337 0.10587 159 2PY 0.00340 -0.00706 0.08533 -0.05094 0.02917 160 2PZ 0.00147 -0.00512 0.04052 -0.12350 0.06105 161 3S 0.00177 -0.02375 -0.21438 -0.06892 0.04979 162 3PX 0.00513 -0.00620 0.04073 -0.08586 0.04663 163 3PY 0.00171 -0.00426 0.04647 -0.02033 0.01396 164 3PZ -0.00045 -0.00186 0.01497 -0.06025 0.02588 165 4XX -0.00036 0.00108 0.00066 0.00274 -0.00225 166 4YY 0.00037 -0.00002 0.00964 -0.00355 0.00123 167 4ZZ -0.00016 0.00088 -0.00013 0.00464 -0.00289 168 4XY 0.00100 -0.00056 0.00459 -0.00760 0.00410 169 4XZ 0.00018 0.00028 0.00005 0.00576 -0.00240 170 4YZ 0.00006 -0.00011 -0.00057 -0.00443 0.00203 171 21 C 1S -0.00899 -0.00002 -0.12549 -0.00002 0.00002 172 2S 0.01866 0.00005 0.26473 0.00003 -0.00005 173 2PX 0.00190 0.00001 0.08971 0.00003 -0.00003 174 2PY 0.00000 0.02033 -0.00003 0.19124 -0.10752 175 2PZ -0.00114 0.00000 0.02933 -0.00002 0.00001 176 3S 0.01546 0.00004 0.24902 0.00004 -0.00005 177 3PX 0.00179 0.00000 0.03687 0.00001 -0.00001 178 3PY 0.00000 0.00352 -0.00001 0.05010 -0.02909 179 3PZ -0.00125 0.00000 0.00546 -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 0.00618 0.00000 0.00000 183 4XY 0.00000 -0.00231 0.00000 -0.01686 0.00932 184 4XZ 0.00006 0.00000 -0.00309 0.00000 0.00000 185 4YZ 0.00000 -0.00097 0.00000 -0.00347 0.00231 186 22 H 1S 0.00636 0.00001 0.11736 0.00002 -0.00003 187 2S 0.00074 0.00000 0.03372 0.00001 -0.00001 188 23 H 1S 0.00562 0.00002 0.11789 0.00002 -0.00003 189 2S 0.00069 0.00000 0.03918 0.00001 -0.00001 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 0.05845 0.01090 0.00235 -0.00660 -0.06596 2 2S -0.11866 -0.02268 -0.00934 0.01361 0.13624 3 2PX -0.03663 -0.02237 0.04200 0.07604 0.03238 4 2PY 0.13441 0.00831 0.00190 0.11880 0.07720 5 2PZ -0.11858 -0.05576 0.02880 0.16567 0.08023 6 3S -0.10308 -0.02503 0.00651 0.02696 0.13748 7 3PX -0.01229 -0.00563 0.02136 0.02401 0.01681 8 3PY 0.03057 0.00052 -0.00086 0.03597 0.02318 9 3PZ -0.03832 -0.01642 0.00091 0.05351 0.04404 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 0.00003 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 0.05845 0.01090 0.00234 -0.00660 0.06596 17 2S -0.11866 -0.02267 -0.00931 0.01362 -0.13624 18 2PX -0.03664 -0.02237 0.04201 0.07602 -0.03238 19 2PY -0.13437 -0.00829 -0.00193 -0.11886 0.07722 20 2PZ -0.11862 -0.05576 0.02881 0.16564 -0.08018 21 3S -0.10307 -0.02505 0.00652 0.02696 -0.13748 22 3PX -0.01230 -0.00564 0.02137 0.02400 -0.01681 23 3PY -0.03055 -0.00052 0.00085 -0.03600 0.02319 24 3PZ -0.03834 -0.01641 0.00093 0.05351 -0.04402 25 4XX 0.00366 0.00084 0.00057 0.00135 0.00217 26 4YY -0.00402 -0.00138 -0.00071 0.00242 0.00884 27 4ZZ 0.00655 0.00074 0.00003 0.00106 -0.00152 28 4XY 0.00205 0.00071 0.00017 -0.00033 0.00428 29 4XZ -0.00165 -0.00084 -0.00177 0.00235 -0.00539 30 4YZ 0.00623 0.00036 -0.00056 0.00215 0.01050 31 3 H 1S -0.06479 -0.03301 0.01756 0.11823 0.12808 32 2S -0.02651 -0.02055 0.01786 0.07923 0.07734 33 4 H 1S -0.06479 -0.03302 0.01758 0.11824 -0.12806 34 2S -0.02650 -0.02056 0.01787 0.07923 -0.07732 35 5 C 1S -0.10190 -0.01258 0.00927 -0.00854 0.05986 36 2S 0.20613 0.02571 -0.01812 0.01989 -0.12490 37 2PX 0.00490 -0.01666 0.03679 0.02441 -0.01423 38 2PY 0.07417 -0.02936 0.01539 0.20213 -0.11460 39 2PZ -0.00521 0.01583 -0.02814 -0.00682 0.07698 40 3S 0.19023 0.02820 -0.02648 0.02167 -0.13289 41 3PX 0.00390 -0.01203 0.01483 0.00523 -0.00405 42 3PY 0.03168 -0.01517 0.01013 0.08184 -0.04978 43 3PZ -0.01128 0.00517 -0.00891 0.00108 0.04248 44 4XX -0.00824 -0.00105 0.00208 -0.00014 0.00658 45 4YY 0.00398 0.00035 0.00028 0.00246 -0.01070 46 4ZZ -0.00814 -0.00227 0.00144 0.00172 0.01135 47 4XY 0.00177 0.00014 -0.00179 -0.00068 -0.00208 48 4XZ -0.00022 0.00117 -0.00056 0.00175 0.00372 49 4YZ 0.00058 -0.00018 0.00157 0.00197 -0.00131 50 6 H 1S 0.11594 -0.00614 0.00310 0.11394 -0.12717 51 2S 0.05033 -0.00713 0.00336 0.06907 -0.07882 52 7 C 1S -0.10190 -0.01259 0.00928 -0.00853 -0.05985 53 2S 0.20613 0.02572 -0.01814 0.01988 0.12488 54 2PX 0.00489 -0.01669 0.03681 0.02440 0.01418 55 2PY -0.07417 0.02936 -0.01536 -0.20213 -0.11460 56 2PZ -0.00524 0.01583 -0.02812 -0.00686 -0.07698 57 3S 0.19023 0.02822 -0.02650 0.02166 0.13286 58 3PX 0.00390 -0.01203 0.01483 0.00523 0.00404 59 3PY -0.03168 0.01518 -0.01011 -0.08185 -0.04979 60 3PZ -0.01129 0.00518 -0.00890 0.00106 -0.04248 61 4XX -0.00824 -0.00105 0.00208 -0.00014 -0.00657 62 4YY 0.00398 0.00035 0.00028 0.00246 0.01070 63 4ZZ -0.00814 -0.00227 0.00144 0.00172 -0.01136 64 4XY -0.00177 -0.00014 0.00179 0.00068 -0.00208 65 4XZ -0.00022 0.00117 -0.00056 0.00175 -0.00372 66 4YZ -0.00057 0.00018 -0.00157 -0.00197 -0.00130 67 8 H 1S 0.11594 -0.00614 0.00307 0.11394 0.12717 68 2S 0.05033 -0.00713 0.00334 0.06907 0.07882 69 9 C 1S 0.04070 0.00055 -0.00047 -0.00253 -0.04568 70 2S -0.08231 -0.00017 0.00106 0.00468 0.09251 71 2PX 0.08042 -0.00159 0.02410 -0.06517 -0.09602 72 2PY 0.07814 -0.00870 0.00009 0.09214 0.03431 73 2PZ 0.07205 0.04596 -0.05561 -0.09585 -0.05641 74 3S -0.08200 -0.00459 0.00442 0.01096 0.12495 75 3PX 0.02709 -0.00453 0.01236 -0.02439 -0.04127 76 3PY 0.02369 -0.00288 0.00033 0.03841 0.01622 77 3PZ 0.02413 0.01339 -0.02145 -0.03971 -0.02430 78 4XX 0.00245 0.00037 -0.00037 0.00148 0.00162 79 4YY -0.00227 0.00009 0.00018 0.00060 -0.00757 80 4ZZ 0.00247 -0.00067 0.00084 0.00205 0.00237 81 4XY 0.00348 -0.00053 0.00023 0.00269 -0.00843 82 4XZ 0.00679 0.00193 -0.00111 -0.00537 -0.00582 83 4YZ 0.00369 0.00018 -0.00057 0.00210 -0.00562 84 10 H 1S -0.04628 0.00434 -0.01779 0.03886 0.08960 85 2S -0.02120 0.00130 -0.01085 0.02751 0.05315 86 11 H 1S -0.04273 -0.02717 0.03107 0.06040 0.06682 87 2S -0.02045 -0.02294 0.02213 0.03980 0.03625 88 12 C 1S 0.04070 0.00054 -0.00047 -0.00253 0.04567 89 2S -0.08231 -0.00015 0.00106 0.00467 -0.09251 90 2PX 0.08042 -0.00161 0.02411 -0.06517 0.09581 91 2PY -0.07816 0.00867 -0.00005 -0.09210 0.03427 92 2PZ 0.07203 0.04597 -0.05561 -0.09589 0.05662 93 3S -0.08200 -0.00457 0.00442 0.01096 -0.12495 94 3PX 0.02709 -0.00453 0.01235 -0.02440 0.04118 95 3PY -0.02369 0.00286 -0.00031 -0.03839 0.01620 96 3PZ 0.02413 0.01339 -0.02144 -0.03972 0.02440 97 4XX 0.00245 0.00037 -0.00036 0.00149 -0.00161 98 4YY -0.00226 0.00009 0.00018 0.00060 0.00757 99 4ZZ 0.00247 -0.00067 0.00084 0.00205 -0.00238 100 4XY -0.00348 0.00053 -0.00023 -0.00268 -0.00844 101 4XZ 0.00679 0.00193 -0.00111 -0.00538 0.00581 102 4YZ -0.00370 -0.00018 0.00057 -0.00210 -0.00562 103 13 H 1S -0.04273 -0.02717 0.03108 0.06036 -0.06690 104 2S -0.02046 -0.02295 0.02214 0.03979 -0.03631 105 14 H 1S -0.04629 0.00435 -0.01778 0.03890 -0.08949 106 2S -0.02120 0.00130 -0.01085 0.02753 -0.05307 107 15 C 1S 0.00879 0.00678 -0.00869 0.00119 0.00726 108 2S -0.01983 -0.01227 0.01790 -0.00210 -0.01255 109 2PX -0.02564 0.05774 -0.10460 0.03586 0.06158 110 2PY 0.04660 -0.21740 -0.01417 -0.03979 -0.01432 111 2PZ 0.00648 0.13485 0.04025 0.00952 0.05794 112 3S -0.00689 -0.03719 0.02142 -0.00965 -0.02716 113 3PX -0.00770 0.01421 -0.04870 0.01173 0.01897 114 3PY 0.01444 -0.06584 -0.00112 -0.01151 -0.00622 115 3PZ 0.00647 0.04206 0.02315 0.00170 0.00901 116 4XX 0.00114 0.00186 -0.01051 0.00125 0.00206 117 4YY -0.00083 -0.00059 0.00177 0.00001 -0.00143 118 4ZZ 0.00139 -0.00465 0.00661 -0.00176 -0.00026 119 4XY 0.00099 -0.00713 0.00139 -0.00408 0.00666 120 4XZ -0.00105 0.00106 0.00002 0.00121 0.00358 121 4YZ 0.00077 -0.00165 -0.00161 0.00003 0.00633 122 16 H 1S 0.00735 -0.12868 0.00788 -0.01870 -0.05126 123 2S 0.00510 -0.08379 0.00863 -0.00895 -0.04019 124 17 C 1S 0.00882 0.00678 -0.00868 0.00119 -0.00728 125 2S -0.01988 -0.01227 0.01790 -0.00210 0.01258 126 2PX -0.02566 0.05774 -0.10460 0.03584 -0.06160 127 2PY -0.04656 0.21743 0.01418 0.03979 -0.01434 128 2PZ 0.00648 0.13483 0.04027 0.00948 -0.05801 129 3S -0.00696 -0.03720 0.02140 -0.00965 0.02720 130 3PX -0.00770 0.01421 -0.04871 0.01172 -0.01897 131 3PY -0.01443 0.06585 0.00111 0.01151 -0.00623 132 3PZ 0.00647 0.04205 0.02315 0.00169 -0.00903 133 4XX 0.00114 0.00186 -0.01051 0.00124 -0.00207 134 4YY -0.00083 -0.00059 0.00177 0.00001 0.00144 135 4ZZ 0.00139 -0.00465 0.00661 -0.00176 0.00026 136 4XY -0.00099 0.00713 -0.00139 0.00409 0.00666 137 4XZ -0.00105 0.00106 0.00002 0.00121 -0.00358 138 4YZ -0.00077 0.00165 0.00161 -0.00002 0.00633 139 18 H 1S 0.00732 -0.12869 0.00786 -0.01868 0.05131 140 2S 0.00509 -0.08380 0.00860 -0.00893 0.04021 141 19 O 1S -0.00714 0.03099 -0.01200 0.01354 -0.00506 142 2S 0.01759 -0.07134 0.02254 -0.03028 0.01043 143 2PX 0.00047 -0.02470 -0.07653 0.00501 -0.09816 144 2PY 0.02709 -0.20561 0.02754 -0.06724 0.01473 145 2PZ 0.01268 0.03925 0.21113 -0.02041 -0.04796 146 3S 0.01959 -0.10268 0.05784 -0.05109 0.02823 147 3PX 0.00316 -0.02179 -0.04777 -0.00032 -0.05226 148 3PY 0.01601 -0.12144 0.01154 -0.03847 0.00480 149 3PZ 0.00770 0.01902 0.11914 -0.01126 -0.02382 150 4XX 0.00185 -0.00787 0.00095 -0.00238 -0.00100 151 4YY -0.00183 0.01783 -0.00218 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 -0.01509 0.00349 0.00187 156 20 O 1S -0.00715 0.03099 -0.01201 0.01354 0.00506 157 2S 0.01761 -0.07135 0.02255 -0.03028 -0.01042 158 2PX 0.00056 -0.02475 -0.07660 0.00505 0.09817 159 2PY -0.02707 0.20565 -0.02750 0.06725 0.01475 160 2PZ 0.01274 0.03918 0.21117 -0.02042 0.04804 161 3S 0.01962 -0.10268 0.05788 -0.05110 -0.02822 162 3PX 0.00321 -0.02182 -0.04781 -0.00030 0.05227 163 3PY -0.01600 0.12147 -0.01151 0.03848 0.00481 164 3PZ 0.00772 0.01898 0.11916 -0.01126 0.02387 165 4XX 0.00184 -0.00787 0.00095 -0.00238 0.00099 166 4YY -0.00183 0.01783 -0.00217 0.00563 0.00138 167 4ZZ 0.00041 -0.00773 -0.00411 -0.00093 0.00028 168 4XY 0.00171 -0.00926 -0.00574 -0.00109 0.00433 169 4XZ 0.00005 -0.00311 0.00350 -0.00141 -0.00055 170 4YZ 0.00200 -0.00442 0.01510 -0.00349 0.00187 171 21 C 1S -0.00169 0.00800 0.00615 -0.00293 0.00001 172 2S 0.00472 -0.01626 -0.01167 0.00569 -0.00001 173 2PX 0.01516 -0.20376 -0.11767 -0.04150 -0.00006 174 2PY -0.00004 0.00002 0.00007 -0.00002 -0.09021 175 2PZ 0.01694 -0.04307 0.34133 -0.05989 0.00008 176 3S 0.00453 -0.03589 -0.02014 0.00546 -0.00002 177 3PX 0.00585 -0.06428 -0.04602 -0.01730 -0.00002 178 3PY -0.00001 0.00001 0.00003 -0.00001 -0.03622 179 3PZ 0.00686 -0.01506 0.14603 -0.02875 0.00004 180 4XX -0.00153 0.01013 -0.00514 0.00337 0.00000 181 4YY 0.00064 0.00082 0.00161 -0.00071 0.00000 182 4ZZ 0.00033 -0.00857 0.00266 -0.00255 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00457 184 4XZ -0.00154 0.01017 0.00345 0.00243 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00103 186 22 H 1S 0.00258 -0.07565 -0.15170 0.00262 -0.00005 187 2S 0.00192 -0.05463 -0.09213 -0.00219 -0.00003 188 23 H 1S 0.00990 -0.05254 0.14691 -0.03197 0.00002 189 2S 0.00325 -0.03539 0.09048 -0.01697 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 -0.00250 -0.02761 0.00239 -0.00474 0.00869 2 2S 0.00804 0.05884 -0.00483 0.00977 -0.02300 3 2PX 0.02540 0.02557 0.03925 -0.00431 0.08811 4 2PY -0.06142 0.03336 -0.00963 0.19374 0.01378 5 2PZ 0.00814 0.04841 -0.01797 -0.17659 0.17993 6 3S 0.00171 0.06824 -0.00677 0.01264 -0.02901 7 3PX 0.01167 0.00272 0.02087 0.00358 0.02638 8 3PY -0.01749 0.01943 -0.00209 0.07023 0.03520 9 3PZ 0.00436 0.01268 -0.00707 -0.06668 0.03027 10 4XX -0.00168 -0.00126 -0.00048 -0.00202 0.00013 11 4YY 0.00109 -0.00304 -0.00031 -0.00312 0.00825 12 4ZZ 0.00046 0.00163 0.00092 0.00348 -0.00318 13 4XY -0.00029 0.00282 -0.00067 -0.00043 0.00635 14 4XZ -0.00143 0.00226 -0.00273 -0.00258 -0.00098 15 4YZ 0.00129 0.00534 0.00071 -0.00129 0.01036 16 2 C 1S -0.00277 0.02759 0.00240 -0.00473 -0.00868 17 2S 0.00861 -0.05877 -0.00485 0.00976 0.02298 18 2PX 0.02566 -0.02523 0.03924 -0.00439 -0.08806 19 2PY 0.06110 0.03400 0.00965 -0.19367 0.01389 20 2PZ 0.00860 -0.04830 -0.01801 -0.17675 -0.17979 21 3S 0.00236 -0.06823 -0.00682 0.01261 0.02898 22 3PX 0.01170 -0.00256 0.02086 0.00356 -0.02637 23 3PY 0.01728 0.01962 0.00209 -0.07020 0.03524 24 3PZ 0.00447 -0.01263 -0.00708 -0.06672 -0.03021 25 4XX -0.00170 0.00124 -0.00048 -0.00201 -0.00013 26 4YY 0.00106 0.00305 -0.00031 -0.00313 -0.00826 27 4ZZ 0.00047 -0.00162 0.00092 0.00348 0.00319 28 4XY 0.00027 0.00283 0.00068 0.00043 0.00635 29 4XZ -0.00141 -0.00228 -0.00274 -0.00258 0.00099 30 4YZ -0.00134 0.00533 -0.00071 0.00130 0.01035 31 3 H 1S -0.00487 0.06594 -0.00439 -0.02095 0.10619 32 2S -0.00688 0.04507 -0.00459 -0.02015 0.10363 33 4 H 1S -0.00425 -0.06597 -0.00443 -0.02103 -0.10614 34 2S -0.00646 -0.04512 -0.00463 -0.02022 -0.10358 35 5 C 1S -0.00351 0.02703 0.00009 0.00109 0.02666 36 2S 0.00600 -0.05459 -0.00167 -0.00170 -0.06290 37 2PX 0.02739 0.02396 0.05383 0.14848 0.07348 38 2PY -0.02353 -0.03911 -0.01060 -0.03115 0.26787 39 2PZ -0.07855 0.01276 -0.02385 0.23022 -0.06608 40 3S 0.01511 -0.07813 0.00696 -0.01376 -0.08739 41 3PX 0.01383 0.00679 0.02308 0.05361 0.02929 42 3PY -0.01517 -0.00848 -0.01335 -0.00547 0.07495 43 3PZ -0.03212 -0.00719 -0.01204 0.07455 -0.03260 44 4XX -0.00549 0.00120 -0.00108 -0.00397 -0.00213 45 4YY 0.00121 -0.00412 0.00074 -0.00234 0.01220 46 4ZZ 0.00330 0.00635 0.00121 0.00492 -0.00201 47 4XY -0.00146 -0.00121 -0.00204 -0.00381 -0.00061 48 4XZ 0.00089 -0.00059 0.00109 -0.00210 -0.00072 49 4YZ 0.00202 0.00010 0.00107 -0.00380 0.00285 50 6 H 1S -0.00505 -0.04745 -0.00171 -0.01720 0.14878 51 2S -0.00383 -0.03230 0.00269 -0.01646 0.15130 52 7 C 1S -0.00325 -0.02707 0.00007 0.00107 -0.02667 53 2S 0.00548 0.05467 -0.00164 -0.00166 0.06291 54 2PX 0.02771 -0.02362 0.05386 0.14842 -0.07354 55 2PY 0.02391 -0.03888 0.01060 0.03116 0.26785 56 2PZ -0.07841 -0.01365 -0.02384 0.23030 0.06601 57 3S 0.01437 0.07832 0.00700 -0.01370 0.08742 58 3PX 0.01393 -0.00663 0.02309 0.05358 -0.02932 59 3PY 0.01525 -0.00832 0.01335 0.00547 0.07494 60 3PZ -0.03221 0.00684 -0.01205 0.07458 0.03258 61 4XX -0.00548 -0.00127 -0.00108 -0.00396 0.00213 62 4YY 0.00118 0.00414 0.00074 -0.00235 -0.01220 63 4ZZ 0.00336 -0.00631 0.00121 0.00492 0.00201 64 4XY 0.00147 -0.00119 0.00204 0.00381 -0.00061 65 4XZ 0.00088 0.00060 0.00109 -0.00210 0.00072 66 4YZ -0.00203 0.00007 -0.00107 0.00380 0.00284 67 8 H 1S -0.00548 0.04742 -0.00169 -0.01725 -0.14877 68 2S -0.00413 0.03228 0.00270 -0.01650 -0.15129 69 9 C 1S 0.00081 -0.00722 -0.00409 0.00367 0.00874 70 2S -0.00136 0.01265 0.00956 -0.00881 -0.01489 71 2PX 0.20966 -0.00536 0.09187 -0.11210 -0.02584 72 2PY 0.00043 0.00189 -0.02185 -0.13292 0.01533 73 2PZ -0.13896 -0.05348 -0.10841 -0.16397 -0.14468 74 3S -0.00488 0.02625 0.00950 -0.02054 -0.06316 75 3PX 0.09150 0.00768 0.03529 -0.04794 -0.00821 76 3PY -0.00045 -0.00938 -0.00664 -0.06654 0.03970 77 3PZ -0.06139 -0.01923 -0.05197 -0.07198 -0.06733 78 4XX -0.00866 -0.00051 -0.00514 -0.00223 -0.00291 79 4YY -0.00003 -0.00202 0.00104 0.00154 0.00511 80 4ZZ 0.00719 0.00103 0.00403 0.00299 -0.00020 81 4XY 0.00157 -0.00105 0.00049 -0.00198 0.00143 82 4XZ 0.00241 -0.00243 0.00066 -0.00408 -0.00622 83 4YZ -0.00199 -0.00438 -0.00163 -0.00189 -0.00696 84 10 H 1S -0.13164 0.00261 -0.06572 0.00960 -0.01171 85 2S -0.09847 0.00476 -0.05390 0.01195 -0.00674 86 11 H 1S 0.09782 0.04117 0.06515 0.05054 0.07710 87 2S 0.07741 0.03837 0.04257 0.04872 0.06550 88 12 C 1S 0.00076 0.00722 -0.00407 0.00367 -0.00875 89 2S -0.00129 -0.01265 0.00952 -0.00882 0.01491 90 2PX 0.20971 0.00770 0.09194 -0.11210 0.02586 91 2PY -0.00029 0.00189 0.02195 0.13301 0.01531 92 2PZ -0.13946 0.05188 -0.10836 -0.16384 0.14485 93 3S -0.00471 -0.02629 0.00947 -0.02053 0.06319 94 3PX 0.09162 -0.00665 0.03532 -0.04794 0.00822 95 3PY 0.00063 -0.00937 0.00670 0.06660 0.03968 96 3PZ -0.06157 0.01850 -0.05196 -0.07192 0.06743 97 4XX -0.00866 0.00041 -0.00514 -0.00223 0.00290 98 4YY -0.00005 0.00203 0.00104 0.00154 -0.00510 99 4ZZ 0.00720 -0.00095 0.00403 0.00299 0.00019 100 4XY -0.00157 -0.00106 -0.00050 0.00198 0.00143 101 4XZ 0.00238 0.00246 0.00065 -0.00408 0.00623 102 4YZ 0.00203 -0.00435 0.00163 0.00188 -0.00696 103 13 H 1S 0.09825 -0.04006 0.06513 0.05048 -0.07718 104 2S 0.07782 -0.03750 0.04256 0.04868 -0.06557 105 14 H 1S -0.13167 -0.00411 -0.06575 0.00965 0.01166 106 2S -0.09846 -0.00588 -0.05392 0.01199 0.00670 107 15 C 1S 0.01996 -0.03896 -0.00118 0.00037 0.01173 108 2S -0.04531 0.07648 0.00589 -0.00410 -0.01811 109 2PX -0.06056 -0.11965 0.07458 -0.03509 -0.00409 110 2PY -0.00067 0.06444 0.00053 -0.01629 -0.00910 111 2PZ -0.04934 -0.19287 0.20319 -0.02438 0.02226 112 3S -0.05393 0.13074 0.00416 0.00470 -0.08512 113 3PX -0.02716 -0.03255 0.01627 -0.01111 -0.00799 114 3PY -0.00924 -0.00148 0.00220 -0.00685 0.02886 115 3PZ -0.01681 -0.05479 0.07791 -0.00588 0.00028 116 4XX 0.00568 -0.00747 0.00365 -0.00229 -0.00063 117 4YY -0.00144 0.00155 -0.00209 0.00056 0.00204 118 4ZZ 0.00052 0.00160 -0.00342 0.00105 0.00098 119 4XY -0.00283 -0.01269 0.00596 0.00017 -0.00031 120 4XZ -0.00213 -0.00509 0.00268 -0.00240 -0.00031 121 4YZ -0.00236 -0.02118 0.00409 -0.00022 0.00355 122 16 H 1S 0.01666 0.17746 -0.09709 0.00887 -0.02031 123 2S 0.02750 0.13983 -0.07212 0.00582 -0.01265 124 17 C 1S 0.01953 0.03918 -0.00121 0.00036 -0.01174 125 2S -0.04446 -0.07697 0.00596 -0.00408 0.01813 126 2PX -0.06189 0.11902 0.07440 -0.03509 0.00407 127 2PY -0.00006 0.06447 -0.00054 0.01627 -0.00906 128 2PZ -0.05146 0.19250 0.20297 -0.02441 -0.02229 129 3S -0.05248 -0.13131 0.00429 0.00476 0.08515 130 3PX -0.02753 0.03226 0.01622 -0.01109 0.00798 131 3PY 0.00925 -0.00137 -0.00218 0.00684 0.02887 132 3PZ -0.01742 0.05467 0.07785 -0.00588 -0.00031 133 4XX 0.00559 0.00753 0.00365 -0.00229 0.00063 134 4YY -0.00142 -0.00157 -0.00209 0.00056 -0.00203 135 4ZZ 0.00054 -0.00159 -0.00341 0.00105 -0.00098 136 4XY 0.00297 -0.01266 -0.00594 -0.00017 -0.00031 137 4XZ -0.00219 0.00507 0.00267 -0.00240 0.00030 138 4YZ 0.00259 -0.02115 -0.00407 0.00023 0.00355 139 18 H 1S 0.01861 -0.17735 -0.09689 0.00890 0.02031 140 2S 0.02902 -0.13958 -0.07196 0.00583 0.01264 141 19 O 1S -0.01037 0.01711 0.01852 -0.00592 -0.00590 142 2S 0.02401 -0.03769 -0.04253 0.01227 0.00926 143 2PX 0.12796 0.22531 -0.19762 0.04914 -0.02976 144 2PY -0.05467 -0.03609 0.03812 0.01564 0.03588 145 2PZ 0.02714 0.06203 -0.09763 0.02822 0.03721 146 3S 0.04621 -0.08313 -0.07698 0.02613 0.03741 147 3PX 0.06790 0.11902 -0.10838 0.02768 -0.02346 148 3PY -0.02770 -0.01206 0.01583 0.01339 0.01960 149 3PZ 0.00890 0.02665 -0.05162 0.01717 0.02471 150 4XX -0.00431 0.00122 0.00751 -0.00016 -0.00020 151 4YY 0.00402 0.00199 -0.00336 -0.00144 -0.00256 152 4ZZ -0.00299 0.00338 0.00022 -0.00108 -0.00230 153 4XY -0.00534 -0.00939 0.00788 -0.00224 0.00096 154 4XZ -0.00455 -0.00010 0.00245 -0.00178 -0.00047 155 4YZ 0.00089 -0.00240 0.00408 -0.00081 -0.00167 156 20 O 1S -0.01018 -0.01721 0.01854 -0.00591 0.00589 157 2S 0.02358 0.03791 -0.04257 0.01226 -0.00924 158 2PX 0.13044 -0.22407 -0.19732 0.04917 0.02981 159 2PY 0.05509 -0.03556 -0.03812 -0.01562 0.03582 160 2PZ 0.02782 -0.06183 -0.09753 0.02821 -0.03721 161 3S 0.04528 0.08356 -0.07707 0.02608 -0.03736 162 3PX 0.06921 -0.11836 -0.10821 0.02771 0.02349 163 3PY 0.02785 -0.01179 -0.01583 -0.01338 0.01956 164 3PZ 0.00920 -0.02661 -0.05158 0.01717 -0.02470 165 4XX -0.00430 -0.00126 0.00752 -0.00015 0.00020 166 4YY 0.00405 -0.00195 -0.00336 -0.00144 0.00256 167 4ZZ -0.00295 -0.00341 0.00023 -0.00108 0.00230 168 4XY 0.00544 -0.00934 -0.00786 0.00225 0.00096 169 4XZ -0.00456 0.00005 0.00245 -0.00178 0.00047 170 4YZ -0.00086 -0.00242 -0.00407 0.00080 -0.00167 171 21 C 1S 0.01424 0.00006 -0.02213 0.00482 0.00000 172 2S -0.02957 -0.00013 0.04355 -0.01006 -0.00001 173 2PX -0.14653 -0.00064 0.26766 -0.01856 0.00000 174 2PY -0.00109 0.19255 -0.00013 -0.00002 -0.03018 175 2PZ -0.16280 -0.00092 0.02319 -0.04746 0.00001 176 3S -0.03606 -0.00015 0.06235 -0.01053 -0.00002 177 3PX -0.05678 -0.00025 0.09988 -0.00633 0.00000 178 3PY -0.00047 0.08481 -0.00006 -0.00001 -0.00596 179 3PZ -0.06678 -0.00038 0.00882 -0.01647 0.00000 180 4XX -0.00216 -0.00001 0.01173 -0.00167 0.00000 181 4YY 0.01759 0.00008 -0.02779 0.00656 0.00000 182 4ZZ -0.01538 -0.00007 0.01589 -0.00455 0.00000 183 4XY 0.00005 -0.00857 0.00000 0.00000 0.00155 184 4XZ 0.00031 0.00000 -0.00579 -0.00232 0.00000 185 4YZ 0.00002 -0.00422 0.00001 0.00000 0.00341 186 22 H 1S -0.03428 -0.00010 0.14784 0.00073 -0.00001 187 2S -0.02399 -0.00007 0.10850 0.00332 0.00000 188 23 H 1S -0.12954 -0.00067 0.08178 -0.03916 0.00000 189 2S -0.09072 -0.00047 0.05727 -0.03257 0.00000 31 32 33 34 35 O O O O O Eigenvalues -- -0.38848 -0.37953 -0.36268 -0.35121 -0.34583 1 1 C 1S -0.01886 -0.00414 -0.00775 0.00530 -0.00793 2 2S 0.04385 0.00811 0.00949 -0.01311 0.01960 3 2PX -0.07044 0.00819 0.01644 -0.01408 -0.12815 4 2PY -0.18928 -0.11941 -0.00627 -0.00269 0.08252 5 2PZ -0.12419 -0.03040 -0.05108 0.00117 0.01031 6 3S 0.06863 0.01610 0.08489 -0.02828 0.00544 7 3PX -0.02686 0.01340 0.00883 0.00309 -0.07368 8 3PY -0.05032 -0.03669 -0.02490 -0.00253 0.02834 9 3PZ -0.04608 -0.01361 -0.05041 0.00498 0.01503 10 4XX -0.00332 -0.00156 -0.00136 0.00070 0.00004 11 4YY 0.00574 0.00241 -0.00510 0.00114 -0.00060 12 4ZZ -0.00860 -0.00451 0.00298 -0.00221 -0.00022 13 4XY -0.00132 -0.00129 0.00157 -0.00125 0.00261 14 4XZ -0.00520 -0.00401 -0.00151 0.00003 0.00542 15 4YZ -0.00236 -0.00049 -0.00160 -0.00081 -0.00108 16 2 C 1S -0.01886 -0.00414 0.00775 -0.00531 -0.00793 17 2S 0.04386 0.00811 -0.00949 0.01311 0.01959 18 2PX -0.07044 0.00824 -0.01644 0.01403 -0.12819 19 2PY 0.18933 0.11942 -0.00617 -0.00278 -0.08249 20 2PZ -0.12422 -0.03037 0.05112 -0.00118 0.01023 21 3S 0.06860 0.01615 -0.08491 0.02828 0.00541 22 3PX -0.02686 0.01342 -0.00883 -0.00312 -0.07368 23 3PY 0.05034 0.03670 -0.02487 -0.00256 -0.02835 24 3PZ -0.04606 -0.01362 0.05043 -0.00498 0.01502 25 4XX -0.00332 -0.00156 0.00136 -0.00070 0.00004 26 4YY 0.00574 0.00241 0.00511 -0.00114 -0.00060 27 4ZZ -0.00860 -0.00451 -0.00298 0.00221 -0.00022 28 4XY 0.00132 0.00129 0.00157 -0.00125 -0.00261 29 4XZ -0.00520 -0.00401 0.00151 -0.00003 0.00541 30 4YZ 0.00237 0.00049 -0.00159 -0.00081 0.00109 31 3 H 1S -0.12056 -0.04953 -0.01526 -0.01175 0.01045 32 2S -0.11928 -0.04877 -0.00095 -0.00445 0.01306 33 4 H 1S -0.12061 -0.04952 0.01525 0.01177 0.01041 34 2S -0.11934 -0.04875 0.00094 0.00445 0.01302 35 5 C 1S 0.00041 0.00306 -0.00570 0.00694 -0.00639 36 2S -0.00152 -0.00762 0.01715 -0.01697 0.01793 37 2PX 0.01290 0.01469 0.06016 -0.02590 -0.10671 38 2PY 0.02943 0.03153 -0.12609 0.03701 -0.02178 39 2PZ 0.03665 -0.02874 -0.04287 0.03904 0.07079 40 3S -0.00564 -0.00984 -0.02462 -0.02037 0.00483 41 3PX -0.01382 0.00445 0.05211 -0.01218 -0.05843 42 3PY 0.01084 -0.00059 -0.01707 0.00497 -0.00418 43 3PZ -0.01707 -0.01245 -0.03429 0.03625 0.05149 44 4XX -0.00089 0.00260 -0.00103 0.00418 -0.00645 45 4YY 0.00271 0.00228 -0.00597 0.00112 -0.00453 46 4ZZ -0.00052 -0.00269 0.00612 -0.00419 0.00654 47 4XY -0.00422 -0.00450 -0.00171 0.00075 0.00246 48 4XZ -0.00120 0.00003 0.00079 -0.00186 0.00081 49 4YZ -0.01047 -0.00385 0.00075 -0.00121 -0.00122 50 6 H 1S 0.02111 0.01893 -0.07139 0.01549 -0.02343 51 2S 0.02028 0.02651 -0.07455 0.03194 -0.02579 52 7 C 1S 0.00039 0.00306 0.00569 -0.00693 -0.00640 53 2S -0.00150 -0.00761 -0.01715 0.01696 0.01795 54 2PX 0.01287 0.01472 -0.06019 0.02589 -0.10670 55 2PY -0.02937 -0.03148 -0.12614 0.03705 0.02175 56 2PZ 0.03670 -0.02879 0.04275 -0.03896 0.07084 57 3S -0.00555 -0.00988 0.02465 0.02034 0.00488 58 3PX -0.01384 0.00446 -0.05211 0.01219 -0.05844 59 3PY -0.01079 0.00059 -0.01707 0.00498 0.00418 60 3PZ -0.01705 -0.01247 0.03425 -0.03620 0.05151 61 4XX -0.00089 0.00260 0.00103 -0.00418 -0.00645 62 4YY 0.00270 0.00227 0.00598 -0.00112 -0.00452 63 4ZZ -0.00052 -0.00268 -0.00612 0.00420 0.00654 64 4XY 0.00422 0.00450 -0.00171 0.00076 -0.00246 65 4XZ -0.00120 0.00003 -0.00078 0.00185 0.00081 66 4YZ 0.01047 0.00385 0.00076 -0.00121 0.00122 67 8 H 1S 0.02107 0.01891 0.07143 -0.01552 -0.02341 68 2S 0.02025 0.02647 0.07461 -0.03197 -0.02575 69 9 C 1S 0.01875 0.01128 -0.00689 0.00206 -0.00178 70 2S -0.04059 -0.02637 0.00957 -0.00664 0.00151 71 2PX -0.08384 -0.07659 0.16734 -0.14283 0.08430 72 2PY 0.19847 0.13948 -0.00469 -0.00120 0.06110 73 2PZ -0.12411 -0.02470 -0.11388 0.10272 -0.05863 74 3S -0.07964 -0.03242 0.06563 -0.00138 0.01409 75 3PX -0.05121 -0.03450 0.08259 -0.05865 0.04111 76 3PY 0.08015 0.06425 -0.02463 0.00648 0.03078 77 3PZ -0.05445 -0.01564 -0.03587 0.05104 -0.02358 78 4XX 0.00294 0.00628 -0.00588 0.00631 -0.00833 79 4YY -0.00640 -0.00441 -0.00261 0.00032 -0.00195 80 4ZZ 0.00881 0.00109 0.00714 -0.00653 0.00992 81 4XY 0.00007 -0.00015 0.00960 -0.00886 0.00010 82 4XZ -0.00390 -0.00251 0.00327 -0.00189 0.00152 83 4YZ -0.00094 0.00023 -0.00929 0.00753 -0.00010 84 10 H 1S 0.05297 0.06153 -0.11865 0.10634 -0.05200 85 2S 0.04635 0.06013 -0.11153 0.10346 -0.05397 86 11 H 1S 0.09380 0.02347 0.10135 -0.08838 0.06536 87 2S 0.09650 0.01927 0.09994 -0.08312 0.06319 88 12 C 1S 0.01875 0.01128 0.00689 -0.00206 -0.00178 89 2S -0.04058 -0.02637 -0.00955 0.00663 0.00152 90 2PX -0.08386 -0.07651 -0.16735 0.14285 0.08429 91 2PY -0.19841 -0.13948 -0.00465 -0.00125 -0.06103 92 2PZ -0.12412 -0.02481 0.11386 -0.10273 -0.05865 93 3S -0.07967 -0.03238 -0.06563 0.00138 0.01409 94 3PX -0.05124 -0.03444 -0.08258 0.05867 0.04110 95 3PY -0.08013 -0.06423 -0.02461 0.00645 -0.03075 96 3PZ -0.05448 -0.01568 0.03584 -0.05104 -0.02362 97 4XX 0.00295 0.00629 0.00587 -0.00631 -0.00833 98 4YY -0.00641 -0.00441 0.00263 -0.00034 -0.00195 99 4ZZ 0.00880 0.00108 -0.00716 0.00655 0.00993 100 4XY -0.00006 0.00016 0.00961 -0.00886 -0.00010 101 4XZ -0.00390 -0.00251 -0.00325 0.00187 0.00151 102 4YZ 0.00092 -0.00023 -0.00929 0.00753 0.00009 103 13 H 1S 0.09369 0.02346 -0.10142 0.08846 0.06537 104 2S 0.09640 0.01927 -0.10001 0.08320 0.06319 105 14 H 1S 0.05307 0.06152 0.11860 -0.10631 -0.05196 106 2S 0.04644 0.06013 0.11150 -0.10343 -0.05394 107 15 C 1S 0.00535 -0.01143 0.01222 0.01541 -0.00448 108 2S -0.01189 0.02438 -0.02565 -0.03482 0.01598 109 2PX 0.06322 -0.11945 -0.09585 -0.08545 0.14539 110 2PY 0.11733 -0.23043 -0.00457 0.02351 -0.18102 111 2PZ -0.02588 0.04969 0.04155 -0.07332 -0.07951 112 3S -0.02485 0.04559 -0.05270 -0.07159 0.00434 113 3PX 0.03415 -0.05473 -0.06074 -0.00089 0.08093 114 3PY 0.02757 -0.05933 0.01996 0.06543 -0.05893 115 3PZ -0.00511 0.02494 0.02720 -0.00322 -0.06469 116 4XX 0.00331 -0.00954 -0.00703 -0.01075 0.00084 117 4YY -0.00439 0.00880 0.00348 0.01020 0.00549 118 4ZZ 0.00385 -0.00627 0.00549 0.00160 -0.01067 119 4XY -0.00345 0.00532 -0.00403 0.00058 0.00014 120 4XZ 0.00492 -0.00892 -0.00345 -0.00606 -0.00358 121 4YZ -0.00192 0.00362 0.00541 -0.00105 0.00792 122 16 H 1S 0.04806 -0.08529 -0.01211 0.03994 -0.06527 123 2S 0.05596 -0.08497 -0.00482 0.03841 -0.07198 124 17 C 1S 0.00535 -0.01143 -0.01224 -0.01540 -0.00447 125 2S -0.01189 0.02438 0.02568 0.03481 0.01597 126 2PX 0.06325 -0.11951 0.09579 0.08547 0.14537 127 2PY -0.11732 0.23044 -0.00442 0.02352 0.18101 128 2PZ -0.02585 0.04968 -0.04154 0.07335 -0.07955 129 3S -0.02482 0.04560 0.05276 0.07156 0.00433 130 3PX 0.03417 -0.05477 0.06073 0.00088 0.08094 131 3PY -0.02755 0.05933 0.01999 0.06543 0.05891 132 3PZ -0.00510 0.02495 -0.02720 0.00321 -0.06469 133 4XX 0.00331 -0.00954 0.00702 0.01075 0.00084 134 4YY -0.00439 0.00880 -0.00347 -0.01020 0.00549 135 4ZZ 0.00385 -0.00627 -0.00550 -0.00160 -0.01066 136 4XY 0.00344 -0.00531 -0.00403 0.00058 -0.00014 137 4XZ 0.00492 -0.00892 0.00344 0.00606 -0.00358 138 4YZ 0.00192 -0.00363 0.00541 -0.00105 -0.00793 139 18 H 1S 0.04806 -0.08530 0.01207 -0.03995 -0.06526 140 2S 0.05595 -0.08497 0.00477 -0.03841 -0.07197 141 19 O 1S 0.02073 -0.03798 -0.01956 -0.03008 -0.01776 142 2S -0.04034 0.07512 0.03668 0.06084 0.03510 143 2PX -0.05050 0.09538 -0.08879 0.02275 0.07141 144 2PY -0.10220 0.19214 0.14282 0.33787 0.12034 145 2PZ -0.04933 0.11002 0.22319 0.13247 -0.10199 146 3S -0.10029 0.17949 0.09448 0.10700 0.08850 147 3PX -0.03133 0.06237 -0.06561 0.01544 0.05532 148 3PY -0.06382 0.12123 0.09052 0.22447 0.07438 149 3PZ -0.02975 0.06849 0.14872 0.09399 -0.06640 150 4XX -0.00132 0.00310 0.00290 0.00206 -0.00656 151 4YY 0.00801 -0.01402 -0.00757 -0.01587 -0.00857 152 4ZZ 0.00360 -0.00685 -0.00645 -0.00015 0.00654 153 4XY 0.00077 -0.00114 0.00274 -0.00341 0.00057 154 4XZ 0.00198 -0.00373 -0.00015 -0.00069 0.00437 155 4YZ 0.00085 -0.00260 -0.01084 -0.01030 0.00482 156 20 O 1S 0.02073 -0.03798 0.01954 0.03007 -0.01777 157 2S -0.04034 0.07512 -0.03664 -0.06084 0.03511 158 2PX -0.05048 0.09531 0.08888 -0.02278 0.07141 159 2PY 0.10222 -0.19213 0.14262 0.33783 -0.12046 160 2PZ -0.04941 0.11020 -0.22316 -0.13259 -0.10192 161 3S -0.10030 0.17949 -0.09437 -0.10698 0.08853 162 3PX -0.03131 0.06233 0.06568 -0.01546 0.05533 163 3PY 0.06383 -0.12122 0.09039 0.22444 -0.07447 164 3PZ -0.02980 0.06861 -0.14870 -0.09407 -0.06635 165 4XX -0.00132 0.00311 -0.00290 -0.00206 -0.00656 166 4YY 0.00801 -0.01402 0.00756 0.01587 -0.00858 167 4ZZ 0.00361 -0.00685 0.00646 0.00016 0.00655 168 4XY -0.00077 0.00113 0.00274 -0.00341 -0.00057 169 4XZ 0.00198 -0.00373 0.00015 0.00069 0.00437 170 4YZ -0.00086 0.00260 -0.01084 -0.01030 -0.00481 171 21 C 1S -0.01611 0.02995 0.00001 0.00000 0.02288 172 2S 0.04094 -0.07405 -0.00002 0.00000 -0.05582 173 2PX -0.07063 0.12801 0.00002 0.00001 0.03506 174 2PY 0.00001 -0.00002 -0.07707 -0.13505 0.00004 175 2PZ 0.05922 -0.10331 0.00002 0.00004 0.20386 176 3S 0.04025 -0.07740 -0.00004 0.00000 -0.07808 177 3PX -0.02306 0.05228 0.00001 0.00001 0.03715 178 3PY 0.00001 -0.00001 -0.00727 0.00273 0.00000 179 3PZ 0.02010 -0.02756 0.00001 0.00001 0.05911 180 4XX 0.00215 -0.00364 0.00000 0.00000 -0.01381 181 4YY -0.00707 0.01380 0.00001 0.00000 0.00258 182 4ZZ 0.00453 -0.00872 0.00000 0.00000 0.01489 183 4XY 0.00000 0.00000 0.00317 0.01642 0.00000 184 4XZ 0.00715 -0.01400 0.00000 0.00000 0.01268 185 4YZ 0.00000 -0.00001 0.01704 0.01360 0.00000 186 22 H 1S -0.03782 0.06857 0.00000 0.00000 -0.09776 187 2S -0.04373 0.07978 0.00000 0.00000 -0.09746 188 23 H 1S 0.04901 -0.09035 0.00000 0.00002 0.12354 189 2S 0.03185 -0.07219 0.00000 0.00002 0.13817 36 37 38 39 40 O O O O O Eigenvalues -- -0.32850 -0.32252 -0.31725 -0.27465 -0.19648 1 1 C 1S 0.00562 0.00160 -0.00440 0.00855 -0.00570 2 2S -0.01407 -0.01628 0.01509 -0.00723 0.01367 3 2PX 0.00120 0.05413 -0.01188 0.26887 -0.18950 4 2PY -0.00335 -0.01734 -0.21747 -0.00213 0.02690 5 2PZ -0.05884 0.19802 0.01169 -0.08591 0.03646 6 3S -0.01897 0.08277 0.00604 -0.06366 -0.02570 7 3PX 0.01689 0.00127 -0.00419 0.17110 -0.12819 8 3PY -0.00369 -0.04636 -0.07767 -0.00613 0.05784 9 3PZ -0.01862 0.02451 0.01530 -0.04377 0.05462 10 4XX 0.00034 0.00214 -0.00235 -0.00031 0.00260 11 4YY 0.00066 -0.00100 0.00966 -0.00104 0.00290 12 4ZZ -0.00205 0.00376 -0.00974 0.00653 -0.00803 13 4XY -0.00032 0.00446 -0.00060 -0.00713 -0.01347 14 4XZ -0.00394 0.00629 -0.00529 -0.00253 0.00677 15 4YZ -0.00522 0.01617 -0.00469 0.00518 0.00061 16 2 C 1S -0.00563 -0.00159 -0.00440 0.00854 0.00570 17 2S 0.01408 0.01626 0.01510 -0.00723 -0.01367 18 2PX -0.00124 -0.05411 -0.01187 0.26888 0.18918 19 2PY -0.00345 -0.01737 0.21746 0.00210 0.02683 20 2PZ 0.05883 -0.19802 0.01167 -0.08590 -0.03627 21 3S 0.01899 -0.08279 0.00605 -0.06364 0.02567 22 3PX -0.01692 -0.00127 -0.00419 0.17109 0.12792 23 3PY -0.00373 -0.04638 0.07764 0.00612 0.05779 24 3PZ 0.01861 -0.02453 0.01529 -0.04377 -0.05443 25 4XX -0.00034 -0.00213 -0.00235 -0.00031 -0.00260 26 4YY -0.00066 0.00099 0.00965 -0.00104 -0.00290 27 4ZZ 0.00205 -0.00375 -0.00974 0.00653 0.00803 28 4XY -0.00033 0.00447 0.00061 0.00713 -0.01348 29 4XZ 0.00394 -0.00629 -0.00529 -0.00253 -0.00678 30 4YZ -0.00522 0.01617 0.00471 -0.00518 0.00061 31 3 H 1S -0.04507 0.12969 -0.07675 0.02526 -0.02833 32 2S -0.04286 0.16010 -0.08729 0.02213 -0.04490 33 4 H 1S 0.04509 -0.12965 -0.07680 0.02527 0.02835 34 2S 0.04289 -0.16005 -0.08735 0.02213 0.04489 35 5 C 1S 0.00833 0.00157 0.00141 -0.01294 0.01335 36 2S -0.02231 0.00063 -0.00836 0.02454 -0.02680 37 2PX 0.07220 -0.14648 0.06570 0.10770 -0.26156 38 2PY 0.02886 -0.02823 0.19004 -0.06198 0.08042 39 2PZ 0.07301 -0.21877 -0.01473 -0.07734 0.14977 40 3S -0.00857 -0.04623 0.01565 0.06983 -0.05645 41 3PX 0.03471 -0.05226 0.02138 0.06683 -0.21428 42 3PY 0.00701 0.02672 0.05531 -0.06266 0.03309 43 3PZ 0.03580 -0.08814 -0.01112 -0.04912 0.11546 44 4XX 0.00404 0.00652 -0.00653 0.00236 -0.00660 45 4YY 0.00126 -0.00335 0.02105 -0.00185 0.00182 46 4ZZ -0.00331 -0.00152 -0.01063 -0.00495 0.00610 47 4XY -0.00194 0.00373 0.00367 -0.00536 0.00226 48 4XZ -0.00270 0.00275 -0.00449 0.01141 -0.00601 49 4YZ -0.00261 0.00791 -0.00110 0.00085 -0.00136 50 6 H 1S 0.01492 -0.02980 0.15643 -0.02271 0.02018 51 2S 0.01820 -0.04250 0.17273 -0.02417 0.04835 52 7 C 1S -0.00832 -0.00157 0.00140 -0.01294 -0.01334 53 2S 0.02230 -0.00064 -0.00835 0.02453 0.02676 54 2PX -0.07220 0.14641 0.06574 0.10774 0.26167 55 2PY 0.02896 -0.02823 -0.19002 0.06198 0.08045 56 2PZ -0.07297 0.21879 -0.01471 -0.07730 -0.14973 57 3S 0.00854 0.04621 0.01565 0.06977 0.05655 58 3PX -0.03470 0.05225 0.02141 0.06687 0.21434 59 3PY 0.00703 0.02671 -0.05530 0.06264 0.03317 60 3PZ -0.03578 0.08817 -0.01113 -0.04908 -0.11549 61 4XX -0.00404 -0.00651 -0.00654 0.00236 0.00661 62 4YY -0.00127 0.00333 0.02105 -0.00185 -0.00182 63 4ZZ 0.00332 0.00153 -0.01062 -0.00495 -0.00610 64 4XY -0.00194 0.00373 -0.00367 0.00536 0.00225 65 4XZ 0.00270 -0.00275 -0.00449 0.01141 0.00599 66 4YZ -0.00261 0.00791 0.00111 -0.00085 -0.00136 67 8 H 1S -0.01498 0.02973 0.15642 -0.02271 -0.02020 68 2S -0.01828 0.04242 0.17273 -0.02418 -0.04836 69 9 C 1S 0.00465 -0.00715 -0.00600 -0.00321 0.00760 70 2S -0.00900 0.01882 0.01693 0.00826 -0.01061 71 2PX -0.15284 0.11118 -0.03089 -0.01512 0.06437 72 2PY -0.00843 0.01629 -0.26997 0.06314 0.01227 73 2PZ 0.00362 0.21045 -0.02774 0.04128 -0.04990 74 3S -0.02716 0.04956 0.00457 0.01191 -0.08246 75 3PX -0.08212 0.06696 -0.02648 -0.01014 0.03322 76 3PY 0.00291 0.00702 -0.13435 0.04400 0.02240 77 3PZ 0.00707 0.11143 -0.02321 -0.00286 -0.01928 78 4XX 0.00659 0.00251 -0.00612 0.00782 -0.01451 79 4YY -0.00018 0.00072 0.01200 -0.00201 0.00377 80 4ZZ -0.00370 -0.00669 -0.00848 -0.00561 0.01196 81 4XY -0.00938 0.00667 0.00335 -0.00079 0.00419 82 4XZ -0.00404 0.00619 -0.00162 0.00109 -0.00055 83 4YZ 0.00065 0.01336 0.00241 -0.00168 -0.00092 84 10 H 1S 0.09803 -0.02584 -0.04322 0.04241 -0.08356 85 2S 0.09494 -0.02505 -0.04668 0.04274 -0.10276 86 11 H 1S -0.02892 -0.11873 -0.05364 -0.01890 0.06555 87 2S -0.02109 -0.12423 -0.05995 -0.04917 0.10784 88 12 C 1S -0.00464 0.00715 -0.00600 -0.00321 -0.00759 89 2S 0.00897 -0.01884 0.01693 0.00824 0.01058 90 2PX 0.15284 -0.11114 -0.03080 -0.01510 -0.06446 91 2PY -0.00858 0.01622 0.26998 -0.06318 0.01230 92 2PZ -0.00362 -0.21043 -0.02783 0.04121 0.04985 93 3S 0.02715 -0.04956 0.00458 0.01195 0.08234 94 3PX 0.08213 -0.06692 -0.02644 -0.01007 -0.03327 95 3PY 0.00284 0.00698 0.13438 -0.04399 0.02247 96 3PZ -0.00705 -0.11141 -0.02325 -0.00288 0.01921 97 4XX -0.00659 -0.00250 -0.00613 0.00782 0.01452 98 4YY 0.00016 -0.00074 0.01200 -0.00201 -0.00377 99 4ZZ 0.00371 0.00669 -0.00847 -0.00560 -0.01197 100 4XY -0.00938 0.00667 -0.00337 0.00079 0.00420 101 4XZ 0.00402 -0.00619 -0.00162 0.00110 0.00056 102 4YZ 0.00065 0.01335 -0.00239 0.00168 -0.00092 103 13 H 1S 0.02900 0.11872 -0.05345 -0.01889 -0.06561 104 2S 0.02119 0.12422 -0.05976 -0.04916 -0.10794 105 14 H 1S -0.09801 0.02594 -0.04337 0.04239 0.08358 106 2S -0.09491 0.02516 -0.04684 0.04276 0.10283 107 15 C 1S -0.02811 -0.00909 0.00004 0.00738 0.00319 108 2S 0.06340 0.02178 0.00186 -0.02131 -0.00196 109 2PX -0.06183 -0.02465 0.05203 0.06480 0.06572 110 2PY 0.01673 0.00570 -0.06286 -0.02473 0.00235 111 2PZ 0.04910 0.01980 -0.03169 -0.02878 -0.08574 112 3S 0.09262 0.02120 0.00421 0.00225 -0.02113 113 3PX -0.07206 -0.04390 0.03751 0.05212 0.05098 114 3PY -0.01198 0.00502 -0.01516 -0.00543 -0.04366 115 3PZ 0.01568 -0.01210 -0.02392 -0.01900 -0.05120 116 4XX -0.00886 -0.00255 0.00147 0.01077 -0.00786 117 4YY -0.00599 -0.00210 0.00265 -0.00081 0.00127 118 4ZZ 0.01154 0.00354 -0.00436 -0.00764 0.00484 119 4XY -0.01009 -0.00336 -0.00113 0.00055 0.00411 120 4XZ 0.00530 0.00188 -0.00245 -0.00767 0.00825 121 4YZ -0.00130 -0.00022 0.00304 0.00174 -0.00644 122 16 H 1S 0.03695 0.00890 -0.02565 -0.03205 0.05693 123 2S 0.01608 -0.01067 -0.03065 -0.04243 0.09856 124 17 C 1S 0.02811 0.00909 0.00006 0.00738 -0.00323 125 2S -0.06339 -0.02178 0.00182 -0.02132 0.00204 126 2PX 0.06179 0.02458 0.05207 0.06481 -0.06616 127 2PY 0.01672 0.00567 0.06287 0.02473 0.00224 128 2PZ -0.04906 -0.01974 -0.03169 -0.02876 0.08613 129 3S -0.09263 -0.02120 0.00412 0.00226 0.02134 130 3PX 0.07202 0.04384 0.03756 0.05216 -0.05130 131 3PY -0.01198 0.00502 0.01515 0.00544 -0.04380 132 3PZ -0.01565 0.01214 -0.02390 -0.01896 0.05146 133 4XX 0.00886 0.00254 0.00148 0.01078 0.00788 134 4YY 0.00599 0.00210 0.00266 -0.00081 -0.00127 135 4ZZ -0.01154 -0.00354 -0.00436 -0.00765 -0.00487 136 4XY -0.01009 -0.00336 0.00113 -0.00056 0.00409 137 4XZ -0.00529 -0.00188 -0.00245 -0.00767 -0.00825 138 4YZ -0.00131 -0.00022 -0.00304 -0.00174 -0.00642 139 18 H 1S -0.03695 -0.00889 -0.02569 -0.03208 -0.05699 140 2S -0.01608 0.01068 -0.03066 -0.04244 -0.09873 141 19 O 1S 0.01644 0.00226 -0.00291 0.00339 -0.00912 142 2S -0.03498 -0.00672 0.00600 -0.00398 0.02172 143 2PX -0.15361 -0.06805 0.05095 0.14020 -0.09545 144 2PY -0.22683 -0.06398 0.03329 0.02709 -0.02451 145 2PZ 0.26616 0.10484 -0.05276 -0.18921 0.11200 146 3S -0.05339 0.00880 0.01071 -0.03363 0.05325 147 3PX -0.11548 -0.05275 0.03702 0.10660 -0.06914 148 3PY -0.15537 -0.04732 0.02439 0.03021 -0.02289 149 3PZ 0.18576 0.07159 -0.03386 -0.12845 0.09005 150 4XX 0.00406 0.00093 -0.00257 -0.00356 -0.00380 151 4YY 0.01146 0.00267 -0.00178 -0.00220 0.00203 152 4ZZ -0.00766 -0.00327 0.00290 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 -0.00739 -0.00313 0.00243 0.00626 -0.00413 156 20 O 1S -0.01645 -0.00226 -0.00292 0.00340 0.00914 157 2S 0.03498 0.00672 0.00602 -0.00398 -0.02173 158 2PX 0.15359 0.06801 0.05102 0.14025 0.09576 159 2PY -0.22690 -0.06399 -0.03341 -0.02716 -0.02449 160 2PZ -0.26603 -0.10474 -0.05288 -0.18927 -0.11244 161 3S 0.05342 -0.00879 0.01073 -0.03367 -0.05330 162 3PX 0.11547 0.05272 0.03708 0.10664 0.06941 163 3PY -0.15542 -0.04733 -0.02447 -0.03027 -0.02286 164 3PZ -0.18568 -0.07153 -0.03395 -0.12848 -0.09041 165 4XX -0.00406 -0.00093 -0.00258 -0.00356 0.00381 166 4YY -0.01147 -0.00267 -0.00179 -0.00221 -0.00203 167 4ZZ 0.00766 0.00327 0.00291 0.00935 -0.00003 168 4XY 0.00718 0.00337 0.00107 0.00469 0.00352 169 4XZ -0.00203 -0.00108 0.00090 -0.00013 -0.00308 170 4YZ -0.00738 -0.00312 -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 -0.01556 -0.01467 0.00005 173 2PX 0.00000 0.00001 -0.00821 -0.05050 -0.00008 174 2PY 0.10184 0.01912 0.00004 0.00002 -0.03315 175 2PZ -0.00003 -0.00005 0.06962 0.11482 0.00006 176 3S 0.00000 0.00000 -0.01864 -0.01754 0.00005 177 3PX -0.00001 0.00000 0.00535 -0.01871 0.00004 178 3PY 0.00616 -0.00208 0.00000 0.00000 -0.04267 179 3PZ 0.00000 -0.00001 0.01476 0.00287 -0.00002 180 4XX 0.00000 0.00000 -0.00654 -0.01594 -0.00002 181 4YY 0.00001 0.00000 0.00247 0.00582 0.00001 182 4ZZ -0.00001 -0.00001 0.00532 0.01159 0.00000 183 4XY -0.01949 -0.00618 0.00000 0.00000 -0.00524 184 4XZ 0.00000 0.00000 0.00635 0.01627 0.00002 185 4YZ 0.01355 0.00624 0.00000 0.00000 0.00904 186 22 H 1S 0.00001 0.00003 -0.04780 -0.11328 -0.00011 187 2S 0.00001 0.00003 -0.05322 -0.13723 -0.00022 188 23 H 1S -0.00002 -0.00003 0.04452 0.09021 0.00007 189 2S -0.00002 -0.00003 0.05239 0.13790 0.00008 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 -0.00497 -0.02226 0.02048 2 2S 0.00140 -0.01119 0.00502 0.05013 -0.04533 3 2PX 0.15072 -0.16798 -0.23526 0.01654 0.20707 4 2PY -0.02628 0.03585 0.00130 0.02029 0.01412 5 2PZ -0.07711 0.06514 0.11317 0.04494 -0.08059 6 3S -0.00291 -0.03431 0.02699 0.19013 -0.19105 7 3PX 0.13423 -0.22123 -0.30291 0.07401 0.33334 8 3PY -0.02414 0.01853 0.05341 0.04060 -0.07090 9 3PZ -0.07252 0.08799 0.15228 0.11423 -0.19153 10 4XX 0.00036 -0.00748 0.00040 -0.00271 0.00385 11 4YY 0.00006 -0.00489 -0.00188 0.00452 0.00761 12 4ZZ -0.00357 0.01288 -0.00098 -0.00464 -0.00878 13 4XY -0.00618 0.01706 -0.01283 -0.00414 0.00699 14 4XZ 0.00250 -0.01012 -0.00094 -0.00252 0.00479 15 4YZ 0.00166 -0.00152 0.00534 -0.00837 -0.00499 16 2 C 1S -0.00218 0.00427 0.00497 -0.02227 -0.02038 17 2S 0.00137 -0.01117 -0.00501 0.05015 0.04517 18 2PX 0.15112 -0.16806 0.23522 0.01642 -0.20743 19 2PY 0.02633 -0.03584 0.00128 -0.02031 0.01423 20 2PZ -0.07718 0.06513 -0.11315 0.04497 0.08030 21 3S -0.00284 -0.03434 -0.02701 0.19023 0.18951 22 3PX 0.13451 -0.22129 0.30286 0.07383 -0.33388 23 3PY 0.02426 -0.01850 0.05339 -0.04069 -0.07051 24 3PZ -0.07264 0.08807 -0.15222 0.11425 0.19096 25 4XX 0.00036 -0.00748 -0.00040 -0.00270 -0.00382 26 4YY 0.00005 -0.00489 0.00188 0.00451 -0.00762 27 4ZZ -0.00356 0.01288 0.00099 -0.00463 0.00879 28 4XY 0.00615 -0.01705 -0.01283 0.00415 0.00697 29 4XZ 0.00249 -0.01013 0.00094 -0.00252 -0.00479 30 4YZ -0.00166 0.00152 0.00534 0.00837 -0.00503 31 3 H 1S -0.00756 0.01417 -0.01208 -0.03185 0.00855 32 2S 0.00216 0.06327 -0.04536 -0.35479 0.11215 33 4 H 1S -0.00750 0.01415 0.01209 -0.03186 -0.00842 34 2S 0.00226 0.06321 0.04537 -0.35482 -0.10998 35 5 C 1S -0.00525 -0.02784 0.01040 -0.02659 0.00916 36 2S 0.01902 0.04873 -0.04251 0.04838 -0.02017 37 2PX -0.04909 0.29129 -0.02488 -0.03293 -0.17703 38 2PY 0.00448 -0.09085 0.01666 0.08389 0.07796 39 2PZ 0.01316 -0.17759 -0.00086 0.01124 0.12580 40 3S -0.02442 0.21196 0.03636 0.33488 -0.06001 41 3PX -0.02192 0.37340 -0.04540 -0.01898 -0.16812 42 3PY 0.02785 -0.10328 0.00021 0.14684 0.16139 43 3PZ 0.03427 -0.21165 -0.02562 0.06738 0.27864 44 4XX -0.00180 -0.00834 0.00239 -0.00051 0.01078 45 4YY 0.00211 -0.00243 -0.00417 -0.00944 -0.00295 46 4ZZ -0.00324 0.00201 0.00512 0.00483 -0.00555 47 4XY 0.00074 0.00666 0.00009 -0.00460 -0.00760 48 4XZ 0.01063 -0.00181 -0.02051 0.00521 0.01015 49 4YZ -0.00187 -0.00214 0.00100 0.00181 0.00534 50 6 H 1S 0.01006 -0.01405 -0.01526 -0.03106 -0.01492 51 2S 0.00755 -0.06145 -0.01898 -0.43937 -0.14632 52 7 C 1S -0.00528 -0.02783 -0.01041 -0.02659 -0.00911 53 2S 0.01908 0.04870 0.04253 0.04840 0.02011 54 2PX -0.04857 0.29131 0.02499 -0.03290 0.17700 55 2PY -0.00432 0.09085 0.01670 -0.08389 0.07827 56 2PZ 0.01284 -0.17751 0.00083 0.01118 -0.12589 57 3S -0.02428 0.21202 -0.03627 0.33487 0.05926 58 3PX -0.02151 0.37344 0.04553 -0.01895 0.16854 59 3PY -0.02780 0.10332 0.00028 -0.14697 0.16254 60 3PZ 0.03400 -0.21149 0.02555 0.06723 -0.27887 61 4XX -0.00179 -0.00834 -0.00240 -0.00052 -0.01076 62 4YY 0.00211 -0.00244 0.00417 -0.00943 0.00296 63 4ZZ -0.00325 0.00201 -0.00511 0.00484 0.00554 64 4XY -0.00074 -0.00666 0.00008 0.00459 -0.00763 65 4XZ 0.01065 -0.00182 0.02051 0.00521 -0.01015 66 4YZ 0.00187 0.00214 0.00101 -0.00182 0.00539 67 8 H 1S 0.01003 -0.01405 0.01525 -0.03105 0.01497 68 2S 0.00745 -0.06146 0.01900 -0.43947 0.14780 69 9 C 1S -0.01252 0.00843 0.01423 -0.05479 -0.02477 70 2S 0.02809 -0.02007 -0.02701 0.07343 0.02690 71 2PX 0.04468 -0.00881 -0.03099 -0.02570 0.01161 72 2PY 0.00139 0.02691 -0.02454 0.06475 0.06943 73 2PZ 0.02155 -0.03614 -0.04196 -0.12761 -0.00588 74 3S 0.08927 -0.04304 -0.14082 0.81073 0.42822 75 3PX 0.00914 -0.01211 -0.00957 -0.07757 -0.03974 76 3PY 0.02202 0.01260 -0.05868 0.21455 0.15392 77 3PZ 0.02239 -0.05433 -0.04673 -0.32504 -0.01112 78 4XX -0.00537 0.01872 0.00160 -0.00644 -0.01588 79 4YY 0.00279 -0.00610 -0.00038 0.00135 0.00292 80 4ZZ 0.00250 -0.01172 0.00114 -0.00734 0.00782 81 4XY 0.00045 0.00090 -0.00141 0.00219 -0.00002 82 4XZ 0.00229 0.00404 -0.00232 0.00375 0.00001 83 4YZ 0.00074 -0.00588 -0.00174 0.00941 0.00331 84 10 H 1S -0.02477 0.05664 0.00839 -0.01521 -0.06062 85 2S -0.07236 0.17610 0.08808 -0.38035 -0.35520 86 11 H 1S 0.00774 -0.02714 0.00748 -0.03821 0.02891 87 2S -0.00155 -0.12737 0.03824 -0.80719 -0.15993 88 12 C 1S -0.01254 0.00844 -0.01422 -0.05480 0.02460 89 2S 0.02812 -0.02008 0.02700 0.07344 -0.02669 90 2PX 0.04456 -0.00878 0.03098 -0.02564 -0.01237 91 2PY -0.00137 -0.02695 -0.02456 -0.06465 0.06929 92 2PZ 0.02165 -0.03618 0.04194 -0.12768 0.00602 93 3S 0.08939 -0.04315 0.14077 0.81098 -0.42530 94 3PX 0.00905 -0.01201 0.00959 -0.07730 0.03752 95 3PY -0.02198 -0.01272 -0.05872 -0.21420 0.15288 96 3PZ 0.02240 -0.05439 0.04664 -0.32524 0.01154 97 4XX -0.00534 0.01872 -0.00159 -0.00644 0.01582 98 4YY 0.00279 -0.00610 0.00038 0.00136 -0.00291 99 4ZZ 0.00248 -0.01172 -0.00115 -0.00734 -0.00781 100 4XY -0.00045 -0.00090 -0.00141 -0.00219 -0.00005 101 4XZ 0.00228 0.00405 0.00232 0.00375 0.00005 102 4YZ -0.00074 0.00588 -0.00174 -0.00940 0.00335 103 13 H 1S 0.00763 -0.02716 -0.00749 -0.03820 -0.02879 104 2S -0.00174 -0.12749 -0.03829 -0.80722 0.15970 105 14 H 1S -0.02462 0.05663 -0.00837 -0.01520 0.06031 106 2S -0.07217 0.17612 -0.08796 -0.38039 0.35084 107 15 C 1S 0.01540 0.01253 -0.04275 -0.03552 -0.05565 108 2S -0.03325 -0.03734 0.09866 0.06355 0.11719 109 2PX 0.21262 0.14642 -0.24253 -0.04334 -0.03560 110 2PY -0.06650 -0.02705 0.07027 0.09703 0.10481 111 2PZ -0.19742 -0.09827 0.23160 -0.07920 0.06563 112 3S -0.09784 -0.00908 0.17571 0.51321 0.46481 113 3PX 0.16608 0.16577 -0.37677 -0.06514 -0.12613 114 3PY -0.06752 -0.00713 0.21103 0.23044 0.23601 115 3PZ -0.13180 -0.10727 0.15615 -0.15868 -0.12243 116 4XX -0.01090 0.00741 -0.00214 -0.00634 -0.01315 117 4YY -0.00048 -0.00140 -0.00199 0.00073 0.00060 118 4ZZ 0.01341 0.00072 -0.00930 -0.00030 -0.00214 119 4XY -0.01253 -0.01300 -0.01124 0.00282 0.00083 120 4XZ 0.00001 -0.01008 -0.00279 -0.00198 -0.00470 121 4YZ 0.01078 0.01229 0.01049 0.00173 -0.00011 122 16 H 1S 0.02337 -0.03617 -0.06705 -0.00914 -0.03285 123 2S 0.06041 -0.08350 -0.30325 -0.61210 -0.55328 124 17 C 1S 0.01540 0.01252 0.04276 -0.03550 0.05559 125 2S -0.03325 -0.03730 -0.09868 0.06350 -0.11701 126 2PX 0.21250 0.14631 0.24263 -0.04327 0.03583 127 2PY 0.06648 0.02701 0.07025 -0.09701 0.10484 128 2PZ -0.19724 -0.09816 -0.23161 -0.07924 -0.06511 129 3S -0.09782 -0.00905 -0.17569 0.51307 -0.46441 130 3PX 0.16597 0.16562 0.37691 -0.06509 0.12731 131 3PY 0.06742 0.00709 0.21101 -0.23031 0.23570 132 3PZ -0.13171 -0.10719 -0.15614 -0.15864 0.12356 133 4XX -0.01088 0.00742 0.00214 -0.00634 0.01312 134 4YY -0.00048 -0.00140 0.00199 0.00073 -0.00056 135 4ZZ 0.01340 0.00072 0.00930 -0.00030 0.00215 136 4XY 0.01253 0.01300 -0.01123 -0.00282 0.00087 137 4XZ -0.00001 -0.01008 0.00279 -0.00198 0.00466 138 4YZ -0.01079 -0.01229 0.01049 -0.00173 -0.00004 139 18 H 1S 0.02325 -0.03621 0.06704 -0.00913 0.03299 140 2S 0.06020 -0.08360 0.30330 -0.61181 0.55459 141 19 O 1S -0.00443 0.00331 0.01725 0.00687 0.04757 142 2S 0.00538 -0.00139 -0.03496 -0.00027 -0.08554 143 2PX -0.15729 -0.03347 0.06699 0.00120 -0.01733 144 2PY 0.01654 0.00731 0.04076 0.00030 0.07669 145 2PZ 0.22779 0.08493 -0.07224 0.02206 -0.01632 146 3S 0.01805 -0.05577 -0.11885 -0.09221 -0.47844 147 3PX -0.13756 -0.02800 0.04517 0.01876 -0.09558 148 3PY 0.02175 0.02279 0.03195 -0.02888 0.13557 149 3PZ 0.18742 0.09192 -0.10362 0.03329 -0.01782 150 4XX -0.00402 -0.00161 0.01856 0.00836 0.02610 151 4YY -0.00253 0.00198 0.00010 0.00587 0.00080 152 4ZZ -0.00012 0.00502 -0.00519 0.00616 0.01173 153 4XY 0.00711 -0.00057 -0.00178 -0.00426 0.00240 154 4XZ -0.00123 0.00053 0.00292 0.00252 0.00576 155 4YZ -0.00380 0.00122 0.00134 -0.00270 -0.00050 156 20 O 1S -0.00442 0.00330 -0.01724 0.00685 -0.04742 157 2S 0.00533 -0.00138 0.03495 -0.00024 0.08528 158 2PX -0.15709 -0.03346 -0.06697 0.00118 0.01783 159 2PY -0.01652 -0.00729 0.04076 -0.00026 0.07642 160 2PZ 0.22752 0.08491 0.07228 0.02209 0.01656 161 3S 0.01798 -0.05572 0.11877 -0.09199 0.47667 162 3PX -0.13743 -0.02800 -0.04513 0.01875 0.09644 163 3PY -0.02174 -0.02277 0.03193 0.02894 0.13495 164 3PZ 0.18721 0.09188 0.10366 0.03329 0.01834 165 4XX -0.00401 -0.00161 -0.01856 0.00835 -0.02606 166 4YY -0.00254 0.00198 -0.00010 0.00586 -0.00078 167 4ZZ -0.00013 0.00502 0.00519 0.00616 -0.01170 168 4XY -0.00710 0.00057 -0.00178 0.00427 0.00240 169 4XZ -0.00124 0.00053 -0.00292 0.00252 -0.00579 170 4YZ 0.00379 -0.00122 0.00134 0.00270 -0.00049 171 21 C 1S 0.01259 0.00370 0.00000 -0.02420 0.00004 172 2S -0.03916 -0.00990 0.00000 0.04996 -0.00008 173 2PX 0.06703 -0.00600 0.00000 -0.00154 -0.00018 174 2PY -0.00004 0.00000 0.11142 0.00005 0.23890 175 2PZ -0.05253 0.01233 -0.00001 0.01881 -0.00015 176 3S -0.04482 -0.01622 0.00000 0.26752 -0.00080 177 3PX -0.03406 -0.01232 0.00002 0.04388 -0.00055 178 3PY -0.00004 0.00000 0.17665 0.00011 0.61373 179 3PZ 0.02466 -0.01999 -0.00004 0.07389 -0.00034 180 4XX 0.01672 0.00258 0.00000 -0.00503 -0.00001 181 4YY -0.00645 -0.00085 0.00000 -0.00201 0.00002 182 4ZZ -0.00610 0.00135 0.00000 -0.00246 0.00001 183 4XY -0.00001 0.00000 0.01134 0.00000 0.01855 184 4XZ -0.01481 -0.00080 0.00000 -0.00336 -0.00001 185 4YZ 0.00001 0.00000 -0.00442 0.00000 0.00614 186 22 H 1S 0.10158 0.00931 -0.00001 -0.00454 -0.00001 187 2S 0.20300 0.04205 -0.00001 -0.11449 0.00063 188 23 H 1S -0.06861 -0.00371 0.00000 -0.01650 -0.00002 189 2S -0.08054 -0.00144 -0.00001 -0.25708 0.00076 46 47 48 49 50 V V V V V Eigenvalues -- 0.11268 0.11965 0.13058 0.13384 0.14567 1 1 C 1S -0.01379 0.03205 0.02475 -0.00694 0.00057 2 2S 0.02294 -0.05363 -0.02323 0.00431 0.01579 3 2PX 0.05388 -0.07408 -0.01662 -0.10054 -0.15146 4 2PY 0.00402 -0.07117 -0.06041 0.03904 -0.03840 5 2PZ 0.02425 -0.10529 -0.09648 0.08504 0.01520 6 3S 0.16771 -0.61246 -0.45482 0.15523 -0.26872 7 3PX 0.08593 -0.08309 -0.08801 -0.10829 -0.25761 8 3PY 0.04171 -0.22509 -0.11309 -0.09508 0.04981 9 3PZ 0.04871 -0.22027 -0.18094 0.22141 0.04466 10 4XX -0.00471 0.00251 0.00057 -0.00573 0.00036 11 4YY 0.00300 -0.00256 0.00085 0.00496 -0.00778 12 4ZZ -0.00341 0.00062 0.00590 -0.00180 0.00592 13 4XY -0.00453 0.00162 0.00314 -0.00427 -0.00403 14 4XZ 0.00052 0.00226 0.00385 -0.00438 -0.00348 15 4YZ -0.00343 0.00883 0.01199 0.00338 0.00294 16 2 C 1S -0.01387 0.03207 0.02477 0.00698 -0.00052 17 2S 0.02311 -0.05367 -0.02327 -0.00432 -0.01584 18 2PX 0.05297 -0.07387 -0.01663 0.10045 0.15145 19 2PY -0.00394 0.07116 0.06044 0.03914 -0.03831 20 2PZ 0.02461 -0.10531 -0.09647 -0.08517 -0.01523 21 3S 0.16866 -0.61265 -0.45498 -0.15613 0.26781 22 3PX 0.08442 -0.08267 -0.08803 0.10812 0.25753 23 3PY -0.04196 0.22524 0.11327 -0.09475 0.05032 24 3PZ 0.04940 -0.22023 -0.18106 -0.22163 -0.04480 25 4XX -0.00472 0.00251 0.00057 0.00572 -0.00037 26 4YY 0.00296 -0.00254 0.00087 -0.00495 0.00778 27 4ZZ -0.00337 0.00060 0.00589 0.00181 -0.00590 28 4XY 0.00457 -0.00163 -0.00314 -0.00428 -0.00404 29 4XZ 0.00050 0.00226 0.00385 0.00438 0.00350 30 4YZ 0.00341 -0.00883 -0.01199 0.00336 0.00296 31 3 H 1S -0.01647 0.02476 0.05261 -0.01453 -0.00736 32 2S -0.24858 0.75342 0.57812 -0.20794 0.19701 33 4 H 1S -0.01649 0.02477 0.05260 0.01458 0.00741 34 2S -0.24892 0.75333 0.57837 0.20885 -0.19617 35 5 C 1S 0.00075 0.01270 0.02935 -0.03311 0.00920 36 2S -0.00711 -0.02568 -0.04279 0.04901 -0.01052 37 2PX 0.00240 -0.05730 -0.02775 0.10623 0.09218 38 2PY 0.03255 -0.05332 -0.09088 0.11849 -0.12971 39 2PZ 0.02967 0.00665 0.00140 -0.06320 -0.06826 40 3S 0.03734 -0.13505 -0.42116 0.60974 -0.21331 41 3PX -0.10449 -0.09740 -0.04137 0.20857 0.16346 42 3PY 0.12225 -0.17215 -0.28546 0.36147 -0.41612 43 3PZ 0.09042 0.14234 0.09912 0.05644 -0.06598 44 4XX -0.00614 -0.00254 -0.00028 -0.01177 -0.00480 45 4YY 0.00151 0.00837 0.01058 0.00098 0.00370 46 4ZZ 0.00385 -0.00194 -0.00336 0.00412 0.00136 47 4XY -0.00612 -0.00277 -0.00005 0.00301 0.01107 48 4XZ -0.00070 -0.00458 -0.00074 0.00075 -0.00220 49 4YZ 0.00886 -0.00204 -0.00200 0.00260 -0.00309 50 6 H 1S 0.00512 0.02757 0.03574 0.00928 0.03400 51 2S -0.10623 0.34564 0.59692 -0.69709 0.59293 52 7 C 1S 0.00071 0.01270 0.02934 0.03312 -0.00930 53 2S -0.00699 -0.02567 -0.04277 -0.04902 0.01070 54 2PX 0.00318 -0.05746 -0.02776 -0.10626 -0.09215 55 2PY -0.03217 0.05316 0.09084 0.11858 -0.12981 56 2PZ 0.02909 0.00678 0.00144 0.06322 0.06815 57 3S 0.03735 -0.13482 -0.42116 -0.60997 0.21469 58 3PX -0.10378 -0.09750 -0.04137 -0.20844 -0.16316 59 3PY -0.12169 0.17171 0.28526 0.36182 -0.41678 60 3PZ 0.08910 0.14281 0.09936 -0.05609 0.06582 61 4XX -0.00618 -0.00253 -0.00028 0.01177 0.00480 62 4YY 0.00153 0.00836 0.01058 -0.00097 -0.00369 63 4ZZ 0.00386 -0.00194 -0.00336 -0.00411 -0.00138 64 4XY 0.00609 0.00278 0.00005 0.00301 0.01105 65 4XZ -0.00075 -0.00457 -0.00074 -0.00075 0.00220 66 4YZ -0.00884 0.00204 0.00200 0.00261 -0.00307 67 8 H 1S 0.00521 0.02756 0.03575 -0.00926 -0.03400 68 2S -0.10552 0.34510 0.59676 0.69756 -0.59423 69 9 C 1S 0.03713 -0.00440 -0.00011 -0.05306 -0.02585 70 2S -0.04914 -0.01092 -0.00893 0.03704 0.04193 71 2PX 0.17729 0.00085 0.01682 -0.01351 0.01014 72 2PY -0.03641 0.02099 0.01265 0.02206 -0.05921 73 2PZ -0.04598 -0.09435 -0.03326 -0.12579 -0.01904 74 3S -0.60766 0.20130 0.10572 1.06671 0.28368 75 3PX 0.50158 0.04385 0.02163 -0.03309 -0.03914 76 3PY -0.19645 0.09730 0.09903 -0.15663 -0.09428 77 3PZ -0.14764 -0.25333 -0.09417 -0.36961 -0.11204 78 4XX 0.01381 -0.00186 -0.00191 0.00088 0.00497 79 4YY -0.00151 -0.00271 -0.00096 -0.00549 -0.01003 80 4ZZ -0.00320 0.00171 0.00366 -0.00710 -0.00088 81 4XY -0.01042 -0.00389 -0.00526 0.00117 0.00029 82 4XZ -0.00729 0.00488 0.00346 0.00108 0.00277 83 4YZ 0.00676 0.00113 -0.00426 -0.00406 -0.00402 84 10 H 1S 0.07107 0.00062 -0.00345 0.00930 0.01432 85 2S 1.01592 0.05290 0.03066 -0.22188 -0.01525 86 11 H 1S -0.03520 -0.01135 0.00885 -0.01977 -0.00593 87 2S -0.07498 -0.38583 -0.13270 -0.74472 -0.17834 88 12 C 1S 0.03725 -0.00449 -0.00014 0.05302 0.02588 89 2S -0.04929 -0.01085 -0.00890 -0.03703 -0.04202 90 2PX 0.17726 0.00092 0.01687 0.01338 -0.01063 91 2PY 0.03687 -0.02102 -0.01262 0.02193 -0.05925 92 2PZ -0.04583 -0.09450 -0.03336 0.12567 0.01933 93 3S -0.60962 0.20295 0.10649 -1.06573 -0.28387 94 3PX 0.50199 0.04408 0.02183 0.03289 0.03801 95 3PY 0.19769 -0.09713 -0.09888 -0.15725 -0.09409 96 3PZ -0.14689 -0.25374 -0.09449 0.36918 0.11296 97 4XX 0.01388 -0.00188 -0.00191 -0.00088 -0.00496 98 4YY -0.00151 -0.00272 -0.00097 0.00549 0.01001 99 4ZZ -0.00324 0.00172 0.00367 0.00709 0.00090 100 4XY 0.01043 0.00389 0.00526 0.00117 0.00026 101 4XZ -0.00728 0.00488 0.00346 -0.00107 -0.00276 102 4YZ -0.00675 -0.00113 0.00426 -0.00405 -0.00400 103 13 H 1S -0.03533 -0.01133 0.00884 0.01976 0.00606 104 2S -0.07393 -0.38679 -0.13329 0.74386 0.18023 105 14 H 1S 0.07136 0.00056 -0.00345 -0.00932 -0.01443 106 2S 1.01776 0.05235 0.03065 0.22148 0.01344 107 15 C 1S 0.01690 -0.01311 -0.02091 -0.03532 0.01293 108 2S -0.05164 -0.00339 0.05864 0.04737 -0.00554 109 2PX -0.07328 -0.07874 0.02217 0.07280 0.23335 110 2PY 0.01162 0.06182 0.03947 0.01370 0.04606 111 2PZ -0.13389 -0.06386 -0.05427 -0.17418 -0.03282 112 3S -0.07435 0.37100 0.28522 0.59076 -0.34577 113 3PX -0.28662 -0.09072 -0.03598 -0.03203 0.45420 114 3PY -0.05745 0.19963 0.14687 0.06450 0.27751 115 3PZ -0.28800 -0.13991 -0.10149 -0.54855 0.03702 116 4XX 0.00932 0.00470 -0.00385 -0.00530 0.00114 117 4YY -0.01159 -0.00397 0.00450 -0.00683 0.00835 118 4ZZ -0.00144 -0.00129 -0.00116 0.00195 0.00141 119 4XY 0.01160 0.00848 0.00101 0.00190 0.01043 120 4XZ 0.01182 0.00136 -0.00166 -0.00686 -0.00626 121 4YZ 0.01586 0.00298 0.00351 -0.00922 0.00113 122 16 H 1S -0.03785 -0.02219 -0.01707 -0.00600 -0.02950 123 2S -0.34467 -0.46879 -0.37503 -0.74643 0.07189 124 17 C 1S 0.01713 -0.01321 -0.02093 0.03534 -0.01288 125 2S -0.05214 -0.00320 0.05867 -0.04740 0.00547 126 2PX -0.07310 -0.07864 0.02216 -0.07294 -0.23380 127 2PY -0.01118 -0.06201 -0.03949 0.01374 0.04604 128 2PZ -0.13423 -0.06389 -0.05429 0.17409 0.03228 129 3S -0.07613 0.37192 0.28545 -0.59095 0.34558 130 3PX -0.28601 -0.09071 -0.03610 0.03175 -0.45538 131 3PY 0.05837 -0.20010 -0.14692 0.06469 0.27756 132 3PZ -0.28762 -0.14032 -0.10161 0.54831 -0.03836 133 4XX 0.00938 0.00468 -0.00385 0.00530 -0.00112 134 4YY -0.01161 -0.00397 0.00449 0.00682 -0.00837 135 4ZZ -0.00142 -0.00129 -0.00116 -0.00194 -0.00141 136 4XY -0.01159 -0.00848 -0.00101 0.00188 0.01040 137 4XZ 0.01185 0.00135 -0.00166 0.00687 0.00629 138 4YZ -0.01586 -0.00298 -0.00351 -0.00924 0.00105 139 18 H 1S -0.03769 -0.02225 -0.01707 0.00598 0.02933 140 2S -0.34246 -0.46989 -0.37526 0.74626 -0.07358 141 19 O 1S -0.03282 0.00744 0.00927 -0.00801 0.05790 142 2S 0.05638 -0.01008 0.00260 0.00244 -0.07424 143 2PX -0.12581 -0.01539 -0.02868 0.00983 -0.13138 144 2PY -0.04945 0.00420 0.01264 0.00667 0.06192 145 2PZ -0.06874 -0.01382 0.01909 0.07474 0.03511 146 3S 0.38709 -0.12490 -0.13524 0.15757 -0.76379 147 3PX -0.19684 0.02371 -0.07921 -0.00795 -0.18191 148 3PY -0.11202 0.04949 0.01415 -0.04140 0.18695 149 3PZ -0.12241 0.03472 0.01693 0.09060 0.05678 150 4XX -0.01105 -0.00459 0.01304 -0.00731 0.02294 151 4YY -0.00518 -0.00070 0.00834 -0.00478 0.01414 152 4ZZ -0.00697 0.00598 0.00611 0.00119 0.02699 153 4XY 0.00014 -0.00287 -0.00520 0.00271 0.00141 154 4XZ 0.00290 -0.00843 0.00776 0.00385 0.00705 155 4YZ 0.00217 -0.00109 0.00023 0.00053 -0.00257 156 20 O 1S -0.03303 0.00753 0.00926 0.00798 -0.05799 157 2S 0.05676 -0.01022 0.00260 -0.00239 0.07437 158 2PX -0.12569 -0.01546 -0.02865 -0.00993 0.13090 159 2PY 0.04978 -0.00433 -0.01262 0.00673 0.06194 160 2PZ -0.06866 -0.01377 0.01911 -0.07482 -0.03535 161 3S 0.38925 -0.12579 -0.13511 -0.15720 0.76494 162 3PX -0.19634 0.02351 -0.07920 0.00778 0.18104 163 3PY 0.11261 -0.04972 -0.01410 -0.04131 0.18707 164 3PZ -0.12232 0.03481 0.01695 -0.09068 -0.05714 165 4XX -0.01117 -0.00455 0.01304 0.00730 -0.02297 166 4YY -0.00518 -0.00069 0.00834 0.00478 -0.01416 167 4ZZ -0.00702 0.00601 0.00611 -0.00120 -0.02702 168 4XY -0.00012 0.00287 0.00520 0.00271 0.00142 169 4XZ 0.00287 -0.00842 0.00777 -0.00385 -0.00706 170 4YZ -0.00217 0.00110 -0.00023 0.00053 -0.00259 171 21 C 1S -0.00316 0.05427 -0.10123 0.00001 -0.00003 172 2S 0.00896 -0.08098 0.16327 -0.00001 0.00007 173 2PX 0.02712 -0.21284 0.19169 -0.00001 0.00000 174 2PY 0.00056 -0.00021 0.00003 -0.06783 0.30593 175 2PZ 0.00869 -0.11625 0.03259 -0.00003 -0.00034 176 3S 0.06205 -0.97839 1.52609 -0.00019 0.00013 177 3PX 0.06521 -0.63861 0.48905 -0.00002 -0.00001 178 3PY 0.00142 -0.00056 0.00005 -0.13624 0.81912 179 3PZ 0.00320 -0.33964 0.10245 -0.00009 -0.00091 180 4XX 0.00533 0.00214 -0.00665 0.00000 0.00000 181 4YY -0.00963 -0.00043 -0.00381 0.00000 -0.00002 182 4ZZ 0.00111 0.01277 -0.01111 0.00000 0.00001 183 4XY 0.00004 -0.00001 0.00000 -0.00363 0.01786 184 4XZ 0.00215 -0.00488 0.00182 0.00000 0.00000 185 4YZ 0.00002 -0.00001 0.00000 0.00546 0.01540 186 22 H 1S 0.01689 0.04024 -0.03994 0.00001 0.00000 187 2S -0.05526 0.79014 -1.13745 0.00002 -0.00067 188 23 H 1S 0.02151 0.03789 -0.05357 0.00002 0.00009 189 2S -0.02164 1.01257 -0.97462 0.00025 0.00100 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 0.04659 -0.02166 0.03051 0.01227 2 2S 0.01243 -0.06362 0.03371 -0.05126 0.02417 3 2PX 0.00382 -0.02742 -0.01575 0.00051 -0.03378 4 2PY 0.03520 -0.05570 0.03171 -0.05937 -0.03634 5 2PZ 0.00918 -0.08520 0.00805 -0.01696 -0.08863 6 3S 0.32925 -0.90807 0.32217 -0.52144 -0.33631 7 3PX 0.03668 -0.13784 -0.00768 0.02141 -0.08915 8 3PY 0.18553 -0.00734 0.13087 -0.27135 -0.13025 9 3PZ 0.03162 -0.32743 -0.01863 -0.02375 -0.14642 10 4XX 0.00118 0.00186 -0.00199 0.00391 -0.00258 11 4YY 0.00074 -0.00014 0.00345 -0.00456 0.00514 12 4ZZ -0.00530 0.00327 -0.00519 0.00216 0.00789 13 4XY -0.00299 -0.00102 0.00294 -0.00875 0.00001 14 4XZ -0.00501 0.00126 -0.00382 0.00320 0.00111 15 4YZ 0.00220 -0.00102 -0.00154 -0.00329 0.00656 16 2 C 1S -0.01638 -0.04669 -0.02158 0.03041 0.01233 17 2S 0.01238 0.06384 0.03360 -0.05113 0.02405 18 2PX 0.00430 0.02732 -0.01582 0.00055 -0.03378 19 2PY -0.03530 -0.05587 -0.03159 0.05931 0.03643 20 2PZ 0.00906 0.08509 0.00787 -0.01676 -0.08875 21 3S 0.32980 0.90933 0.32031 -0.51955 -0.33729 22 3PX 0.03748 0.13766 -0.00789 0.02167 -0.08926 23 3PY -0.18538 -0.00814 -0.13091 0.27131 0.13054 24 3PZ 0.03125 0.32721 -0.01917 -0.02302 -0.14698 25 4XX 0.00118 -0.00187 -0.00199 0.00391 -0.00258 26 4YY 0.00077 0.00017 0.00344 -0.00457 0.00515 27 4ZZ -0.00532 -0.00328 -0.00518 0.00216 0.00789 28 4XY 0.00298 -0.00104 -0.00293 0.00875 -0.00001 29 4XZ -0.00499 -0.00127 -0.00382 0.00320 0.00112 30 4YZ -0.00219 -0.00104 0.00155 0.00329 -0.00656 31 3 H 1S -0.01830 0.02214 -0.02948 0.00962 0.03451 32 2S -0.27505 0.76846 -0.23483 0.43027 0.44722 33 4 H 1S -0.01825 -0.02217 -0.02945 0.00959 0.03455 34 2S -0.27537 -0.76916 -0.23348 0.42880 0.44835 35 5 C 1S 0.03875 0.02874 0.04006 -0.07656 -0.01478 36 2S -0.06679 -0.02479 -0.04727 0.08631 0.03576 37 2PX -0.03483 -0.03401 0.03619 -0.11284 -0.00566 38 2PY -0.03063 -0.14319 -0.00828 0.06729 0.00106 39 2PZ 0.03271 0.05731 0.03554 -0.03695 -0.02030 40 3S -0.55904 -0.61231 -0.70039 1.35246 0.17912 41 3PX -0.14119 -0.00632 0.14211 -0.28883 -0.01987 42 3PY -0.20892 -0.38660 0.01405 0.23070 0.04157 43 3PZ 0.02780 0.27402 0.09413 -0.10169 -0.03419 44 4XX 0.00243 0.00113 0.00289 -0.00415 -0.01037 45 4YY -0.00340 0.00825 -0.00324 -0.00280 0.00551 46 4ZZ 0.00726 -0.00249 0.00818 -0.00837 0.00292 47 4XY -0.00530 0.00537 -0.00068 -0.00396 -0.00650 48 4XZ 0.00003 -0.00372 0.00169 -0.00431 0.00254 49 4YZ 0.00440 0.00873 0.00159 -0.00134 -0.00440 50 6 H 1S -0.00676 0.05588 -0.00747 -0.03194 0.01180 51 2S 0.46550 0.83379 0.25502 -0.79366 -0.11495 52 7 C 1S 0.03875 -0.02851 0.04014 -0.07661 -0.01476 53 2S -0.06677 0.02454 -0.04734 0.08635 0.03580 54 2PX -0.03521 0.03425 0.03610 -0.11278 -0.00573 55 2PY 0.03034 -0.14302 0.00859 -0.06745 -0.00095 56 2PZ 0.03298 -0.05721 0.03567 -0.03714 -0.02022 57 3S -0.55898 0.60830 -0.70187 1.35355 0.17849 58 3PX -0.14185 0.00703 0.14209 -0.28890 -0.01983 59 3PY 0.20797 -0.38602 -0.01307 -0.23110 -0.04150 60 3PZ 0.02816 -0.27377 0.09484 -0.10257 -0.03379 61 4XX 0.00246 -0.00113 0.00289 -0.00415 -0.01038 62 4YY -0.00340 -0.00825 -0.00322 -0.00281 0.00552 63 4ZZ 0.00725 0.00253 0.00818 -0.00837 0.00292 64 4XY 0.00533 0.00537 0.00067 0.00397 0.00650 65 4XZ 0.00004 0.00374 0.00168 -0.00430 0.00254 66 4YZ -0.00442 0.00873 -0.00160 0.00136 0.00439 67 8 H 1S -0.00686 -0.05581 -0.00733 -0.03203 0.01187 68 2S 0.46433 -0.83165 0.25707 -0.79486 -0.11446 69 9 C 1S -0.01077 -0.05996 -0.03671 0.05096 -0.02083 70 2S 0.02912 0.06981 0.04084 -0.04425 0.02056 71 2PX 0.16777 -0.00195 0.04063 0.02762 -0.05114 72 2PY -0.01200 -0.10919 0.04040 -0.07657 0.03214 73 2PZ -0.10796 -0.02459 -0.01909 -0.08725 -0.11744 74 3S 0.06477 0.95949 0.64163 -0.93397 0.43577 75 3PX 0.38104 0.03200 0.19222 -0.05680 -0.02953 76 3PY 0.08423 -0.26250 0.22647 -0.37273 0.11615 77 3PZ -0.28535 -0.12414 0.02785 -0.31566 -0.33896 78 4XX -0.00286 0.00092 -0.00004 0.00076 0.00760 79 4YY 0.00657 -0.01880 0.00262 -0.00027 -0.00021 80 4ZZ -0.00428 0.00745 -0.00907 0.01054 -0.01174 81 4XY -0.00818 -0.00201 -0.00510 0.00843 0.00144 82 4XZ -0.00306 0.00183 -0.00619 0.00951 0.00331 83 4YZ 0.00235 -0.00193 -0.00155 0.01453 0.00900 84 10 H 1S 0.02817 -0.00535 0.02550 -0.01990 0.02740 85 2S 0.59859 -0.20477 -0.04657 0.47472 -0.12239 86 11 H 1S -0.02562 0.01218 -0.01917 -0.01216 -0.06974 87 2S -0.58098 -0.31417 -0.39242 0.08032 -0.69635 88 12 C 1S -0.01071 0.05976 -0.03687 0.05110 -0.02088 89 2S 0.02901 -0.06961 0.04103 -0.04439 0.02061 90 2PX 0.16777 0.00206 0.04061 0.02762 -0.05110 91 2PY 0.01190 -0.10944 -0.04018 0.07649 -0.03197 92 2PZ -0.10786 0.02441 -0.01915 -0.08713 -0.11751 93 3S 0.06425 -0.95587 0.64416 -0.93630 0.43684 94 3PX 0.38132 -0.03124 0.19217 -0.05694 -0.02922 95 3PY -0.08448 -0.26393 -0.22606 0.37248 -0.11566 96 3PZ -0.28492 0.12391 0.02754 -0.31517 -0.33901 97 4XX -0.00289 -0.00091 -0.00004 0.00075 0.00761 98 4YY 0.00660 0.01882 0.00258 -0.00023 -0.00021 99 4ZZ -0.00428 -0.00751 -0.00906 0.01053 -0.01174 100 4XY 0.00818 -0.00198 0.00511 -0.00843 -0.00144 101 4XZ -0.00306 -0.00186 -0.00618 0.00951 0.00332 102 4YZ -0.00235 -0.00190 0.00156 -0.01453 -0.00899 103 13 H 1S -0.02559 -0.01231 -0.01916 -0.01213 -0.06972 104 2S -0.58073 0.31187 -0.39337 0.08130 -0.69653 105 14 H 1S 0.02808 0.00549 0.02548 -0.01993 0.02739 106 2S 0.59834 0.20411 -0.04744 0.47510 -0.12266 107 15 C 1S -0.02118 -0.02735 0.02078 -0.01735 0.04305 108 2S 0.02513 0.04247 -0.03574 0.03961 -0.05444 109 2PX 0.12124 -0.09879 -0.00904 0.09299 -0.01680 110 2PY 0.00873 -0.01019 -0.05549 0.04548 -0.10252 111 2PZ 0.16105 -0.05953 0.03313 0.09164 0.04340 112 3S 0.21045 0.33428 -0.28876 0.16579 -0.82026 113 3PX 0.36021 -0.27957 -0.01139 0.20640 -0.05387 114 3PY 0.10578 0.11254 -0.09477 0.06284 -0.41613 115 3PZ 0.38971 -0.26559 0.08997 0.18671 0.11629 116 4XX -0.00626 -0.00130 0.00264 -0.00338 0.00195 117 4YY 0.00763 -0.01123 0.00108 0.00393 -0.00579 118 4ZZ -0.00234 -0.00076 0.00288 0.00047 0.00628 119 4XY -0.00770 -0.00446 -0.00419 -0.01254 0.00310 120 4XZ -0.01026 0.00109 0.00210 -0.00986 0.01423 121 4YZ -0.02215 -0.00517 0.00051 -0.01222 -0.00688 122 16 H 1S 0.04297 -0.00056 0.02149 0.03364 0.07034 123 2S 0.40021 -0.48619 0.35978 0.12526 0.82527 124 17 C 1S -0.02122 0.02747 0.02069 -0.01729 0.04293 125 2S 0.02516 -0.04266 -0.03559 0.03952 -0.05425 126 2PX 0.12035 0.09864 -0.00924 0.09311 -0.01698 127 2PY -0.00859 -0.00986 0.05547 -0.04546 0.10254 128 2PZ 0.16125 0.05957 0.03295 0.09176 0.04307 129 3S 0.21139 -0.33627 -0.28789 0.16509 -0.81848 130 3PX 0.35853 0.27921 -0.01211 0.20689 -0.05477 131 3PY -0.10495 0.11348 0.09434 -0.06257 0.41608 132 3PZ 0.38988 0.26572 0.08915 0.18730 0.11494 133 4XX -0.00627 0.00132 0.00262 -0.00337 0.00193 134 4YY 0.00761 0.01121 0.00105 0.00395 -0.00582 135 4ZZ -0.00236 0.00078 0.00288 0.00046 0.00628 136 4XY 0.00773 -0.00447 0.00420 0.01254 -0.00308 137 4XZ -0.01024 -0.00105 0.00209 -0.00986 0.01423 138 4YZ 0.02215 -0.00518 -0.00049 0.01221 0.00691 139 18 H 1S 0.04306 0.00067 0.02147 0.03365 0.07032 140 2S 0.40013 0.48796 0.35834 0.12622 0.82322 141 19 O 1S 0.04138 -0.02961 0.00052 0.02125 -0.06011 142 2S -0.06308 0.02375 -0.00528 -0.03266 0.07899 143 2PX 0.14646 0.09030 -0.05087 0.07115 0.00146 144 2PY 0.05497 -0.04961 0.02088 0.03338 -0.15635 145 2PZ 0.06716 0.00657 0.04651 0.10616 -0.04972 146 3S -0.52738 0.45537 -0.01341 -0.27095 0.82188 147 3PX 0.28325 0.11341 -0.10746 0.12237 -0.00587 148 3PY 0.13741 -0.13225 0.05282 0.05424 -0.33428 149 3PZ 0.11176 0.02669 0.11798 0.18266 -0.11781 150 4XX 0.01233 -0.01952 -0.00115 0.01185 -0.02081 151 4YY 0.00956 -0.01028 0.00077 0.00214 -0.01445 152 4ZZ 0.01414 -0.01688 -0.00635 0.00636 -0.02860 153 4XY 0.00209 -0.00138 -0.00254 0.00071 0.01101 154 4XZ -0.00267 -0.00320 -0.00602 0.00124 0.00633 155 4YZ -0.00644 0.00313 0.00906 0.00286 0.00410 156 20 O 1S 0.04120 0.02950 0.00047 0.02130 -0.06018 157 2S -0.06284 -0.02360 -0.00526 -0.03269 0.07903 158 2PX 0.14691 -0.09047 -0.05066 0.07100 0.00169 159 2PY -0.05474 -0.04935 -0.02078 -0.03342 0.15639 160 2PZ 0.06703 -0.00667 0.04657 0.10613 -0.04969 161 3S -0.52488 -0.45390 -0.01252 -0.27169 0.82321 162 3PX 0.28391 -0.11378 -0.10726 0.12218 -0.00562 163 3PY -0.13673 -0.13177 -0.05252 -0.05439 0.33456 164 3PZ 0.11159 -0.02684 0.11808 0.18263 -0.11782 165 4XX 0.01226 0.01947 -0.00118 0.01188 -0.02086 166 4YY 0.00952 0.01026 0.00074 0.00216 -0.01449 167 4ZZ 0.01405 0.01681 -0.00638 0.00638 -0.02863 168 4XY -0.00208 -0.00139 0.00254 -0.00072 -0.01102 169 4XZ -0.00270 0.00320 -0.00602 0.00124 0.00633 170 4YZ 0.00644 0.00311 -0.00907 -0.00285 -0.00412 171 21 C 1S 0.00448 0.00004 -0.00740 -0.00631 0.07046 172 2S -0.01556 -0.00007 0.00238 -0.00616 -0.10511 173 2PX -0.07326 0.00022 0.12422 0.12104 0.19810 174 2PY 0.00051 -0.17785 0.00010 -0.00017 0.00023 175 2PZ 0.13027 -0.00015 -0.41318 -0.16561 0.12599 176 3S -0.06052 -0.00042 0.09685 0.12805 -0.79474 177 3PX -0.17862 0.00063 0.28615 0.24432 0.66007 178 3PY 0.00145 -0.51180 0.00028 -0.00047 0.00068 179 3PZ 0.35665 -0.00034 -1.09101 -0.39825 0.46967 180 4XX -0.00247 0.00001 -0.00338 -0.00690 0.01579 181 4YY 0.00944 0.00000 -0.00478 0.00669 0.00932 182 4ZZ -0.00309 0.00000 0.00818 -0.00364 -0.01766 183 4XY 0.00003 -0.01324 0.00001 -0.00001 0.00002 184 4XZ -0.00537 0.00002 0.00771 0.00050 0.01195 185 4YZ 0.00002 -0.00807 0.00001 -0.00001 0.00000 186 22 H 1S -0.00238 -0.00002 -0.04747 -0.03541 0.00268 187 2S 0.48087 -0.00077 -1.27588 -0.69222 0.15278 188 23 H 1S -0.04091 0.00005 0.06371 -0.01908 -0.02198 189 2S -0.43827 0.00072 1.33740 0.40740 -0.24689 56 57 58 59 60 V V V V V Eigenvalues -- 0.19723 0.20300 0.21251 0.24290 0.24319 1 1 C 1S -0.01358 0.08144 0.00856 0.01381 -0.00841 2 2S 0.01510 -0.15593 -0.01273 -0.02870 0.00903 3 2PX 0.01893 -0.06566 -0.04562 -0.03666 -0.11831 4 2PY -0.02537 -0.03853 -0.02353 -0.09914 -0.06496 5 2PZ -0.03708 -0.07643 -0.03243 -0.08753 -0.09365 6 3S 0.07325 -0.80292 -0.24646 -0.50189 0.27866 7 3PX 0.09668 -0.45281 -0.04786 -0.26272 -0.34389 8 3PY -0.04513 -0.40550 -0.14586 -0.39588 -0.32803 9 3PZ -0.02035 -0.68207 -0.06230 -0.39570 -0.49192 10 4XX -0.00275 -0.00136 0.00256 0.00216 -0.00232 11 4YY -0.00810 0.01527 -0.00033 0.00954 -0.00646 12 4ZZ 0.00073 0.00357 -0.00317 -0.01537 0.00851 13 4XY 0.00094 -0.00451 -0.00132 0.00583 -0.00478 14 4XZ -0.00206 -0.00025 -0.00112 -0.00850 -0.00119 15 4YZ 0.00087 -0.00605 -0.00086 -0.00934 -0.00382 16 2 C 1S 0.01358 -0.08143 0.00853 0.01323 0.00923 17 2S -0.01511 0.15593 -0.01268 -0.02805 -0.01067 18 2PX -0.01890 0.06570 -0.04565 -0.04334 0.11591 19 2PY -0.02535 -0.03855 0.02355 0.10303 -0.05907 20 2PZ 0.03700 0.07640 -0.03233 -0.09243 0.08848 21 3S -0.07341 0.80292 -0.24588 -0.48326 -0.30806 22 3PX -0.09684 0.45274 -0.04777 -0.28144 0.32802 23 3PY -0.04502 -0.40575 0.14590 0.41538 -0.30434 24 3PZ 0.02016 0.68189 -0.06197 -0.42181 0.46839 25 4XX 0.00275 0.00136 0.00256 0.00203 0.00243 26 4YY 0.00809 -0.01527 -0.00033 0.00910 0.00702 27 4ZZ -0.00074 -0.00357 -0.00316 -0.01483 -0.00938 28 4XY 0.00094 -0.00451 0.00132 -0.00554 -0.00511 29 4XZ 0.00206 0.00025 -0.00111 -0.00853 0.00068 30 4YZ 0.00087 -0.00605 0.00086 0.00953 -0.00325 31 3 H 1S 0.00210 0.04003 -0.00955 -0.03950 0.01321 32 2S 0.01997 1.34346 0.25801 0.75351 0.69577 33 4 H 1S -0.00208 -0.04001 -0.00955 -0.03858 -0.01552 34 2S -0.01963 -1.34337 0.25750 0.79103 -0.65078 35 5 C 1S 0.00058 -0.05802 -0.01864 0.03515 -0.01024 36 2S -0.01447 0.11049 0.02460 -0.04298 0.03634 37 2PX 0.00346 0.02138 -0.01890 0.15680 0.03395 38 2PY -0.07823 0.07860 0.04653 0.21141 -0.04845 39 2PZ -0.04762 0.00390 -0.00183 0.13002 -0.03231 40 3S 0.01030 0.53225 0.30058 -0.60355 -0.10210 41 3PX -0.26914 0.18454 0.08908 0.65643 0.05472 42 3PY -0.33999 0.71467 0.20161 1.02527 -0.11020 43 3PZ -0.01906 0.06267 0.07281 0.60814 -0.42013 44 4XX -0.00408 -0.00398 -0.00437 0.00460 0.00333 45 4YY 0.00064 0.00246 -0.00223 0.00074 -0.00225 46 4ZZ 0.00293 -0.01009 0.00200 -0.00075 -0.00228 47 4XY -0.00898 0.00172 -0.00236 0.00667 -0.00645 48 4XZ 0.00161 -0.00982 -0.00093 -0.00059 0.00077 49 4YZ -0.00412 0.00893 -0.00325 0.00414 -0.02051 50 6 H 1S -0.00846 -0.03281 -0.01911 -0.00798 -0.02711 51 2S 0.36708 -1.00405 -0.35750 -0.93496 0.03796 52 7 C 1S -0.00058 0.05802 -0.01864 0.03441 0.01224 53 2S 0.01448 -0.11047 0.02463 -0.04071 -0.03875 54 2PX -0.00343 -0.02137 -0.01888 0.15847 -0.02474 55 2PY -0.07825 0.07858 -0.04653 -0.20816 -0.06068 56 2PZ 0.04756 -0.00388 -0.00189 0.12765 0.03988 57 3S -0.01040 -0.53221 0.30062 -0.60612 0.06757 58 3PX 0.26926 -0.18460 0.08929 0.65837 -0.01624 59 3PY -0.34015 0.71462 -0.20167 -1.01687 -0.16969 60 3PZ 0.01902 -0.06254 0.07255 0.58208 0.45515 61 4XX 0.00408 0.00397 -0.00437 0.00479 -0.00306 62 4YY -0.00064 -0.00246 -0.00223 0.00066 0.00230 63 4ZZ -0.00293 0.01010 0.00200 -0.00094 0.00221 64 4XY -0.00897 0.00172 0.00235 -0.00632 -0.00683 65 4XZ -0.00162 0.00982 -0.00093 -0.00056 -0.00081 66 4YZ -0.00412 0.00893 0.00325 -0.00294 -0.02073 67 8 H 1S 0.00844 0.03283 -0.01908 -0.00929 0.02661 68 2S -0.36725 1.00393 -0.35756 -0.93105 -0.09247 69 9 C 1S 0.09118 0.02793 -0.00937 -0.04612 0.05343 70 2S -0.06292 -0.07105 0.00254 0.03011 -0.06209 71 2PX 0.17532 0.00053 -0.02538 0.10582 -0.19853 72 2PY 0.03147 -0.07778 0.01903 0.03045 0.25512 73 2PZ -0.05802 0.00877 -0.05166 0.06727 0.02586 74 3S -1.81734 -0.05433 0.24772 1.01231 -0.87517 75 3PX 0.49512 0.16666 0.04123 0.66869 -0.79197 76 3PY 0.46526 -0.46370 0.02952 0.20364 1.09370 77 3PZ -0.37405 0.19081 -0.10908 0.64093 0.08235 78 4XX 0.00349 0.00390 0.00459 -0.00980 -0.00628 79 4YY 0.01319 0.00021 -0.00162 0.00106 0.02278 80 4ZZ 0.00484 0.00575 -0.00569 0.00010 -0.00881 81 4XY 0.00358 0.00078 0.00328 -0.00819 -0.00673 82 4XZ 0.00232 0.00509 -0.00018 -0.02517 0.00578 83 4YZ -0.00325 0.00258 0.00856 -0.01158 -0.00253 84 10 H 1S 0.00809 0.01986 0.01888 0.04297 -0.04798 85 2S 1.16693 0.37622 -0.02266 0.16538 -0.95958 86 11 H 1S -0.00073 0.02880 -0.03636 0.07122 -0.02386 87 2S 0.04332 0.42291 -0.30506 0.10917 0.15394 88 12 C 1S -0.09118 -0.02792 -0.00939 -0.04287 -0.05604 89 2S 0.06290 0.07104 0.00254 0.02643 0.06377 90 2PX -0.17533 -0.00053 -0.02557 0.09363 0.20430 91 2PY 0.03143 -0.07777 -0.01899 -0.04452 0.25299 92 2PZ 0.05793 -0.00879 -0.05149 0.06938 -0.02166 93 3S 1.81738 0.05414 0.24820 0.95827 0.93298 94 3PX -0.49522 -0.16655 0.04049 0.61882 0.82930 95 3PY 0.46489 -0.46354 -0.02923 -0.26463 1.08010 96 3PZ 0.37421 -0.19111 -0.10828 0.64723 -0.04403 97 4XX -0.00349 -0.00390 0.00459 -0.01011 0.00571 98 4YY -0.01318 -0.00021 -0.00162 0.00233 -0.02268 99 4ZZ -0.00485 -0.00575 -0.00571 -0.00038 0.00879 100 4XY 0.00358 0.00078 -0.00327 0.00859 -0.00623 101 4XZ -0.00232 -0.00509 -0.00017 -0.02478 -0.00723 102 4YZ -0.00326 0.00259 -0.00857 0.01168 -0.00187 103 13 H 1S 0.00074 -0.02879 -0.03634 0.06992 0.02798 104 2S -0.04336 -0.42269 -0.30412 0.12301 -0.14760 105 14 H 1S -0.00808 -0.01988 0.01886 0.04012 0.05042 106 2S -1.16675 -0.37629 -0.02388 0.10778 0.96752 107 15 C 1S -0.05190 0.00385 0.04857 -0.01441 -0.01247 108 2S 0.07144 -0.03028 -0.09900 0.03021 0.03628 109 2PX 0.05300 0.04200 -0.06709 0.04055 0.03077 110 2PY 0.01394 -0.02035 -0.14946 0.03500 0.03202 111 2PZ -0.14410 -0.00069 0.03283 0.03497 -0.03601 112 3S 0.84134 0.21173 -0.67257 0.15384 0.05914 113 3PX -0.08805 0.06374 -0.07682 -0.00719 0.09238 114 3PY 0.06106 -0.31894 -0.25523 0.03649 0.19946 115 3PZ -0.42816 0.03394 0.02945 0.03238 -0.11120 116 4XX -0.00322 0.00274 0.00243 -0.00295 -0.00202 117 4YY -0.01198 0.00214 0.00277 0.00130 0.00175 118 4ZZ -0.00083 -0.00234 0.00044 -0.00119 0.00060 119 4XY 0.00185 0.00137 0.01313 -0.00717 -0.00093 120 4XZ -0.00345 0.00009 0.00096 -0.00129 -0.00576 121 4YZ -0.00719 0.00172 0.00855 -0.00363 -0.00269 122 16 H 1S -0.02917 0.00182 -0.02289 0.00299 -0.01246 123 2S -0.86400 0.15925 0.60053 -0.07571 -0.27341 124 17 C 1S 0.05191 -0.00386 0.04854 -0.01527 0.01164 125 2S -0.07145 0.03032 -0.09892 0.03254 -0.03455 126 2PX -0.05302 -0.04204 -0.06698 0.04247 -0.02833 127 2PY 0.01398 -0.02035 0.14940 -0.03679 0.03001 128 2PZ 0.14406 0.00059 0.03275 0.03235 0.03809 129 3S -0.84160 -0.21162 -0.67221 0.15982 -0.05063 130 3PX 0.08793 -0.06391 -0.07664 -0.00231 -0.09251 131 3PY 0.06131 -0.31900 0.25507 -0.04755 0.19731 132 3PZ 0.42812 -0.03402 0.02918 0.02402 0.11298 133 4XX 0.00322 -0.00275 0.00242 -0.00308 0.00184 134 4YY 0.01197 -0.00214 0.00277 0.00137 -0.00168 135 4ZZ 0.00084 0.00234 0.00044 -0.00115 -0.00065 136 4XY 0.00185 0.00137 -0.01313 0.00721 -0.00052 137 4XZ 0.00346 -0.00008 0.00095 -0.00165 0.00567 138 4YZ -0.00719 0.00171 -0.00855 0.00379 -0.00247 139 18 H 1S 0.02921 -0.00182 -0.02293 0.00213 0.01262 140 2S 0.86417 -0.15956 0.60007 -0.09428 0.26935 141 19 O 1S 0.00299 0.00576 0.03322 0.00521 -0.00164 142 2S -0.00952 -0.00165 -0.03135 -0.02431 -0.00557 143 2PX 0.00780 -0.03863 -0.16269 0.06519 0.05410 144 2PY 0.02372 0.01746 0.21560 -0.02094 -0.01364 145 2PZ 0.04721 -0.01214 -0.13284 0.00932 0.03891 146 3S -0.00417 -0.11720 -0.53475 -0.00196 0.04977 147 3PX -0.00147 -0.06963 -0.31830 0.08346 0.08407 148 3PY 0.00381 0.06779 0.47986 -0.03269 -0.04709 149 3PZ 0.07386 -0.01848 -0.23596 0.02329 0.07627 150 4XX -0.00326 0.00254 0.00765 0.00218 -0.00446 151 4YY -0.00283 -0.00025 0.01361 -0.00669 -0.00201 152 4ZZ 0.00684 0.00603 0.01906 -0.00281 -0.00120 153 4XY 0.00373 0.00213 -0.00368 0.00090 -0.00088 154 4XZ 0.00372 0.00093 -0.01160 0.00223 0.00082 155 4YZ 0.00212 0.00105 -0.00748 0.00186 -0.00030 156 20 O 1S -0.00304 -0.00579 0.03324 0.00510 0.00196 157 2S 0.00959 0.00172 -0.03139 -0.02466 0.00413 158 2PX -0.00776 0.03862 -0.16264 0.06826 -0.05022 159 2PY 0.02388 0.01755 -0.21564 0.02161 -0.01245 160 2PZ -0.04721 0.01211 -0.13271 0.01171 -0.03832 161 3S 0.00491 0.11760 -0.53507 0.00136 -0.04997 162 3PX 0.00152 0.06965 -0.31829 0.08799 -0.07914 163 3PY 0.00417 0.06803 -0.47998 0.03535 -0.04529 164 3PZ -0.07388 0.01838 -0.23575 0.02779 -0.07483 165 4XX 0.00324 -0.00254 0.00766 0.00190 0.00458 166 4YY 0.00282 0.00025 0.01361 -0.00683 0.00162 167 4ZZ -0.00686 -0.00603 0.01907 -0.00287 0.00103 168 4XY 0.00372 0.00213 0.00367 -0.00086 -0.00093 169 4XZ -0.00371 -0.00092 -0.01160 0.00230 -0.00069 170 4YZ 0.00211 0.00105 0.00748 -0.00185 -0.00041 171 21 C 1S 0.00004 0.00001 -0.11820 0.00799 0.00022 172 2S -0.00006 -0.00001 0.18985 -0.02421 -0.00068 173 2PX 0.00010 0.00004 -0.23622 0.03423 0.00099 174 2PY -0.02594 0.03021 0.00003 0.00177 -0.05932 175 2PZ 0.00003 0.00006 0.00882 0.04430 0.00131 176 3S -0.00049 -0.00018 1.61140 -0.09490 -0.00251 177 3PX 0.00034 0.00014 -0.92947 0.05215 0.00143 178 3PY 0.01404 0.21541 -0.00009 0.00585 -0.20281 179 3PZ 0.00013 0.00019 -0.10532 0.11781 0.00347 180 4XX 0.00001 0.00000 -0.00113 -0.00293 -0.00008 181 4YY 0.00001 0.00000 -0.02811 0.00801 0.00023 182 4ZZ -0.00001 -0.00001 0.02830 -0.00730 -0.00021 183 4XY 0.00036 0.00227 0.00000 0.00015 -0.00526 184 4XZ 0.00001 0.00000 -0.01327 0.00177 0.00005 185 4YZ 0.00531 0.00119 0.00001 -0.00002 0.00037 186 22 H 1S 0.00000 0.00001 0.04472 -0.00890 -0.00026 187 2S 0.00002 0.00013 0.01727 0.08206 0.00234 188 23 H 1S -0.00001 -0.00002 0.04826 -0.02839 -0.00083 189 2S 0.00004 -0.00020 -0.49719 -0.11700 -0.00351 61 62 63 64 65 V V V V V Eigenvalues -- 0.24789 0.30577 0.31743 0.32867 0.37584 1 1 C 1S -0.01992 -0.04522 -0.06138 0.01589 -0.01481 2 2S 0.01982 0.05054 0.04007 -0.03196 0.00785 3 2PX 0.03735 0.06463 -0.03427 0.03050 0.01096 4 2PY -0.06467 -0.19067 0.04325 0.01169 0.02408 5 2PZ 0.10260 -0.02055 -0.14394 0.04163 -0.04376 6 3S 0.47087 1.31572 2.01032 -0.39394 0.65587 7 3PX 0.21267 0.24026 -0.29191 0.08949 -0.06462 8 3PY -0.25177 -1.30116 0.74451 0.15788 -0.23467 9 3PZ 0.44724 0.07364 -1.18428 0.20639 -0.43587 10 4XX 0.00196 0.00435 0.00310 0.00270 -0.00743 11 4YY -0.01175 -0.02229 0.00823 0.00180 0.00672 12 4ZZ 0.00578 0.01554 -0.02129 -0.00650 0.00175 13 4XY 0.00185 -0.00179 0.01164 0.00155 0.00107 14 4XZ 0.00623 0.01613 0.00158 0.00121 0.01036 15 4YZ 0.00579 0.00177 0.03135 -0.00046 -0.00212 16 2 C 1S 0.01998 0.04512 -0.06147 -0.01574 0.01483 17 2S -0.01991 -0.05046 0.04022 0.03183 -0.00787 18 2PX -0.03752 -0.06473 -0.03417 -0.03038 -0.01093 19 2PY -0.06423 -0.19075 -0.04283 0.01178 0.02403 20 2PZ -0.10301 0.02025 -0.14402 -0.04131 0.04374 21 3S -0.47290 -1.31254 2.01278 0.38887 -0.65628 22 3PX -0.21371 -0.24090 -0.29147 -0.08870 0.06453 23 3PY -0.24992 -1.30230 -0.74155 0.15992 -0.23459 24 3PZ -0.44897 -0.07586 -1.18427 -0.20336 0.43607 25 4XX -0.00194 -0.00435 0.00310 -0.00270 0.00744 26 4YY 0.01179 0.02230 0.00821 -0.00182 -0.00673 27 4ZZ -0.00584 -0.01558 -0.02127 0.00655 -0.00174 28 4XY 0.00184 -0.00179 -0.01163 0.00159 0.00108 29 4XZ -0.00626 -0.01613 0.00159 -0.00120 -0.01037 30 4YZ 0.00583 0.00174 -0.03135 -0.00037 -0.00211 31 3 H 1S 0.02286 0.06797 0.08763 0.00273 0.02644 32 2S -0.45806 0.17263 0.19497 -0.12677 0.18607 33 4 H 1S -0.02301 -0.06785 0.08774 -0.00298 -0.02647 34 2S 0.46123 -0.17237 0.19524 0.12634 -0.18603 35 5 C 1S -0.02255 -0.05266 0.05191 -0.01308 0.00626 36 2S 0.02681 0.06030 -0.04472 -0.01088 0.06160 37 2PX -0.01634 -0.16508 -0.06286 -0.05339 -0.00462 38 2PY -0.02300 -0.03919 0.12549 0.02911 -0.00236 39 2PZ -0.05178 -0.02413 -0.22898 0.01049 0.01490 40 3S 0.61928 1.30160 -1.52043 0.39319 -0.48290 41 3PX 0.00542 -0.63373 -0.41236 -0.00948 -0.00141 42 3PY -0.09611 -0.09375 0.87584 -0.10920 0.31436 43 3PZ -0.12044 -0.28444 -1.42280 0.09779 -0.19159 44 4XX 0.00045 -0.00791 -0.00033 0.01060 -0.00651 45 4YY 0.01374 0.01972 -0.00197 -0.00875 0.00472 46 4ZZ -0.01529 -0.01834 0.00957 -0.00544 0.00785 47 4XY 0.01028 -0.00893 -0.00472 0.01043 0.01101 48 4XZ -0.00452 -0.01095 -0.00359 -0.00041 0.00053 49 4YZ 0.00073 -0.01670 -0.01762 0.00296 -0.00668 50 6 H 1S 0.06991 0.07946 -0.02814 -0.03987 0.00381 51 2S 0.00534 -0.10532 -0.41963 -0.12417 -0.15023 52 7 C 1S 0.02264 0.05275 0.05185 0.01295 -0.00627 53 2S -0.02691 -0.06037 -0.04463 0.01100 -0.06161 54 2PX 0.01687 0.16492 -0.06297 0.05357 0.00469 55 2PY -0.02398 -0.03936 -0.12528 0.02942 -0.00239 56 2PZ 0.05231 0.02377 -0.22909 -0.00981 -0.01480 57 3S -0.62071 -1.30408 -1.51856 -0.38939 0.48332 58 3PX -0.00312 0.63285 -0.41329 0.01049 0.00158 59 3PY -0.10054 -0.09507 -0.87518 -0.10706 0.31435 60 3PZ 0.12255 0.28231 -1.42327 -0.09425 0.19184 61 4XX -0.00045 0.00790 -0.00037 -0.01061 0.00651 62 4YY -0.01373 -0.01972 -0.00192 0.00875 -0.00471 63 4ZZ 0.01529 0.01836 0.00955 0.00542 -0.00785 64 4XY 0.01025 -0.00892 0.00475 0.01042 0.01102 65 4XZ 0.00452 0.01094 -0.00360 0.00041 -0.00052 66 4YZ 0.00071 -0.01669 0.01764 0.00292 -0.00668 67 8 H 1S -0.06995 -0.07950 -0.02788 0.03993 -0.00380 68 2S -0.00985 0.10496 -0.41936 0.12517 0.15012 69 9 C 1S 0.01084 0.01794 0.01191 0.00335 0.00383 70 2S -0.00001 -0.02396 -0.00976 0.00582 -0.01643 71 2PX -0.12689 -0.09755 -0.00792 0.07071 -0.00512 72 2PY -0.19880 -0.14030 -0.07210 -0.04717 -0.02485 73 2PZ 0.18142 -0.24953 -0.03159 0.02265 0.02766 74 3S -0.25092 -0.27076 -0.49717 -0.19155 0.07207 75 3PX -0.65197 -0.41322 -0.11270 0.05759 -0.02030 76 3PY -0.70985 -0.52219 -0.29447 -0.22081 -0.12655 77 3PZ 0.61688 -1.00776 0.13017 0.02483 0.17226 78 4XX 0.00760 -0.00337 -0.00198 -0.01236 0.00457 79 4YY -0.01256 -0.00849 0.01262 -0.00220 -0.00102 80 4ZZ 0.01054 0.01300 -0.01021 0.01120 0.00075 81 4XY -0.00380 -0.00256 0.02351 0.00264 0.00149 82 4XZ 0.00326 0.01072 -0.00383 0.00302 0.00017 83 4YZ 0.00443 -0.00442 0.00494 0.00140 -0.00077 84 10 H 1S -0.00569 -0.01391 -0.04457 -0.02863 0.01233 85 2S -0.47065 0.15904 0.07141 0.25757 -0.02319 86 11 H 1S 0.06275 0.00501 -0.03234 0.04683 0.00194 87 2S 1.30616 -0.62438 0.18598 0.23486 0.19368 88 12 C 1S -0.01101 -0.01791 0.01192 -0.00338 -0.00384 89 2S 0.00013 0.02395 -0.00977 -0.00576 0.01645 90 2PX 0.12742 0.09749 -0.00813 -0.07060 0.00516 91 2PY -0.19873 -0.14030 0.07235 -0.04722 -0.02477 92 2PZ -0.18129 0.24944 -0.03201 -0.02270 -0.02769 93 3S 0.25455 0.26965 -0.49712 0.19277 -0.07194 94 3PX 0.65480 0.41282 -0.11322 -0.05716 0.02041 95 3PY -0.71011 -0.52214 0.29510 -0.22162 -0.12660 96 3PZ -0.61490 1.00773 0.12832 -0.02526 -0.17225 97 4XX -0.00763 0.00338 -0.00196 0.01236 -0.00458 98 4YY 0.01257 0.00852 0.01260 0.00219 0.00103 99 4ZZ -0.01054 -0.01303 -0.01021 -0.01117 -0.00075 100 4XY -0.00377 -0.00261 -0.02351 0.00269 0.00149 101 4XZ -0.00335 -0.01072 -0.00383 -0.00300 -0.00017 102 4YZ 0.00448 -0.00440 -0.00492 0.00144 -0.00076 103 13 H 1S -0.06254 -0.00501 -0.03237 -0.04669 -0.00191 104 2S -1.30606 0.62476 0.18433 -0.23546 -0.19370 105 14 H 1S 0.00585 0.01378 -0.04455 0.02872 -0.01233 106 2S 0.47130 -0.15875 0.07162 -0.25757 0.02319 107 15 C 1S -0.04396 0.01571 -0.00552 0.01648 0.10929 108 2S 0.08046 -0.02060 0.02756 0.02442 -0.10566 109 2PX 0.05159 -0.03563 0.00358 0.14067 -0.11461 110 2PY -0.00210 0.01259 -0.01306 0.23689 0.16466 111 2PZ -0.11184 0.08272 -0.03868 0.09507 -0.24877 112 3S 0.76679 -0.31079 0.13280 -1.23650 -2.60512 113 3PX -0.10689 0.13947 -0.05235 0.67952 -1.08497 114 3PY -0.16433 0.05988 0.08899 1.77567 1.84281 115 3PZ -0.44608 0.23755 -0.00777 0.36170 -1.04338 116 4XX -0.00363 0.00040 0.00157 -0.00173 -0.01134 117 4YY -0.00763 0.00533 0.00595 0.02371 0.02631 118 4ZZ 0.00131 0.00168 -0.00285 -0.00710 -0.00871 119 4XY 0.00036 0.00088 -0.00607 0.00493 0.00249 120 4XZ -0.00694 0.00197 0.00529 -0.01626 0.01081 121 4YZ -0.00414 0.00114 0.00176 -0.00045 -0.00496 122 16 H 1S -0.03614 0.02342 0.00043 -0.04908 0.07988 123 2S -0.69392 0.35866 -0.21891 -0.30131 -1.11697 124 17 C 1S 0.04397 -0.01575 -0.00555 -0.01645 -0.10929 125 2S -0.08043 0.02068 0.02746 -0.02448 0.10567 126 2PX -0.05162 0.03573 0.00319 -0.14076 0.11453 127 2PY -0.00198 0.01249 0.01363 0.23688 0.16478 128 2PZ 0.11192 -0.08274 -0.03873 -0.09508 0.24872 129 3S -0.76730 0.31139 0.13562 1.23598 2.60517 130 3PX 0.10672 -0.13952 -0.05372 -0.67952 1.08505 131 3PY -0.16399 0.05955 -0.08446 1.77583 1.84299 132 3PZ 0.44633 -0.23763 -0.00818 -0.36205 1.04324 133 4XX 0.00363 -0.00040 0.00157 0.00172 0.01134 134 4YY 0.00764 -0.00532 0.00590 -0.02373 -0.02630 135 4ZZ -0.00130 -0.00169 -0.00283 0.00712 0.00870 136 4XY 0.00037 0.00090 0.00608 0.00491 0.00248 137 4XZ 0.00695 -0.00197 0.00533 0.01626 -0.01081 138 4YZ -0.00413 0.00114 -0.00177 -0.00045 -0.00495 139 18 H 1S 0.03622 -0.02346 0.00059 0.04909 -0.07987 140 2S 0.69461 -0.35939 -0.21746 0.30193 1.11710 141 19 O 1S 0.00148 0.00157 0.00072 0.02051 -0.03944 142 2S -0.01867 0.01697 -0.00109 -0.05545 0.02456 143 2PX 0.00889 -0.00538 -0.00389 0.21008 -0.19612 144 2PY 0.03113 0.00191 0.01635 -0.07453 -0.00623 145 2PZ 0.03820 -0.00240 -0.01059 0.13827 -0.12040 146 3S 0.05977 -0.10222 -0.02484 -0.19568 0.93446 147 3PX -0.05484 0.04177 0.00524 0.50958 -0.38662 148 3PY 0.02177 -0.00084 -0.00445 -0.20636 -0.29367 149 3PZ 0.02743 0.00813 -0.00064 0.33752 -0.26315 150 4XX -0.00186 0.00650 -0.00259 -0.00338 -0.01617 151 4YY -0.00868 0.00744 0.00172 0.00974 -0.00149 152 4ZZ 0.00262 0.00356 0.00177 -0.00277 -0.02685 153 4XY 0.00533 0.00118 0.00082 -0.02203 -0.02847 154 4XZ 0.00537 -0.00133 -0.00106 0.00176 0.01164 155 4YZ 0.00365 -0.00513 0.00049 -0.01349 -0.00895 156 20 O 1S -0.00148 -0.00156 0.00069 -0.02052 0.03944 157 2S 0.01863 -0.01700 -0.00095 0.05549 -0.02451 158 2PX -0.00884 0.00543 -0.00442 -0.21010 0.19610 159 2PY 0.03111 0.00188 -0.01655 -0.07454 -0.00614 160 2PZ -0.03833 0.00246 -0.01094 -0.13830 0.12044 161 3S -0.05969 0.10208 -0.02465 0.19558 -0.93453 162 3PX 0.05485 -0.04168 0.00404 -0.50966 0.38672 163 3PY 0.02173 -0.00084 0.00387 -0.20655 -0.29349 164 3PZ -0.02760 -0.00805 -0.00147 -0.33759 0.26332 165 4XX 0.00186 -0.00650 -0.00256 0.00339 0.01618 166 4YY 0.00867 -0.00745 0.00170 -0.00974 0.00150 167 4ZZ -0.00263 -0.00356 0.00178 0.00278 0.02686 168 4XY 0.00533 0.00117 -0.00088 -0.02203 -0.02847 169 4XZ -0.00538 0.00134 -0.00107 -0.00176 -0.01163 170 4YZ 0.00365 -0.00513 -0.00052 -0.01349 -0.00894 171 21 C 1S -0.00001 0.00000 -0.00291 0.00000 0.00001 172 2S 0.00002 -0.00002 -0.00490 0.00001 0.00001 173 2PX 0.00002 0.00001 -0.00337 0.00000 0.00001 174 2PY -0.02139 -0.00191 -0.00006 -0.03253 0.34539 175 2PZ 0.00006 -0.00001 -0.00930 0.00001 -0.00004 176 3S 0.00015 0.00000 0.02545 0.00020 -0.00019 177 3PX -0.00007 -0.00002 -0.04978 -0.00012 0.00012 178 3PY 0.08066 -0.01688 -0.00121 -0.94189 -0.13278 179 3PZ 0.00018 -0.00003 -0.02530 0.00015 0.00005 180 4XX 0.00000 0.00000 -0.00107 0.00000 0.00000 181 4YY 0.00000 0.00000 -0.00498 0.00001 0.00001 182 4ZZ -0.00001 0.00000 0.00101 0.00000 0.00000 183 4XY 0.00121 0.00071 -0.00002 -0.01231 0.02169 184 4XZ 0.00000 0.00000 -0.00178 0.00000 0.00000 185 4YZ 0.00467 0.00091 0.00001 0.00449 0.00612 186 22 H 1S 0.00001 0.00001 0.00936 0.00000 -0.00003 187 2S 0.00011 -0.00001 0.00357 0.00000 0.00001 188 23 H 1S -0.00002 -0.00001 0.00406 0.00000 -0.00001 189 2S -0.00028 0.00004 0.02606 -0.00007 0.00000 66 67 68 69 70 V V V V V Eigenvalues -- 0.43553 0.47078 0.48268 0.48732 0.50574 1 1 C 1S -0.09086 0.00821 -0.03935 0.01123 -0.00342 2 2S 0.02610 0.05823 0.01496 0.16107 -0.30050 3 2PX -0.08712 0.17995 -0.01962 0.17625 0.01680 4 2PY -0.17875 0.04541 0.21625 -0.25556 -0.10617 5 2PZ -0.06276 -0.12376 -0.19486 0.06985 0.17612 6 3S 3.40759 -0.14616 1.77280 -0.41844 0.32182 7 3PX -0.60525 -0.14835 -0.49498 -0.20043 -0.03217 8 3PY -2.40420 -0.15940 1.52119 0.30223 0.17476 9 3PZ -1.28389 0.14625 -2.38695 -0.03499 -0.18773 10 4XX 0.00366 -0.00116 0.00033 -0.00930 0.00716 11 4YY -0.01033 -0.00332 0.02145 0.05330 -0.02521 12 4ZZ 0.00674 0.02075 -0.01182 -0.00059 -0.04693 13 4XY -0.00265 -0.00773 -0.00232 0.00505 0.00580 14 4XZ 0.00370 0.00285 0.00767 0.00930 -0.02640 15 4YZ -0.01068 -0.01671 -0.00624 0.02106 0.00617 16 2 C 1S 0.09086 0.00824 0.03933 0.01131 -0.00340 17 2S -0.02621 0.05818 -0.01519 0.16098 -0.30048 18 2PX 0.08719 0.17995 0.01908 0.17621 0.01702 19 2PY -0.17885 -0.04502 0.21570 0.25593 0.10626 20 2PZ 0.06268 -0.12345 0.19485 0.07038 0.17617 21 3S -3.40745 -0.14757 -1.77232 -0.42249 0.32115 22 3PX 0.60469 -0.14787 0.49578 -0.19918 -0.03217 23 3PY -2.40456 0.16249 1.52108 -0.29994 -0.17351 24 3PZ 1.28330 0.14931 2.38762 -0.03026 -0.18651 25 4XX -0.00365 -0.00115 -0.00032 -0.00930 0.00715 26 4YY 0.01031 -0.00336 -0.02153 0.05325 -0.02521 27 4ZZ -0.00674 0.02076 0.01182 -0.00060 -0.04691 28 4XY -0.00265 0.00772 -0.00231 -0.00504 -0.00581 29 4XZ -0.00371 0.00284 -0.00767 0.00927 -0.02641 30 4YZ -0.01067 0.01670 -0.00621 -0.02106 -0.00615 31 3 H 1S -0.04304 0.00057 -0.03517 0.10841 -0.10302 32 2S 0.99324 0.08116 0.48789 0.03021 -0.04161 33 4 H 1S 0.04302 0.00058 0.03496 0.10841 -0.10296 34 2S -0.99326 0.08082 -0.48805 0.02895 -0.04171 35 5 C 1S 0.07624 -0.00674 0.04853 -0.01031 -0.00189 36 2S -0.06353 0.11359 0.00605 -0.03888 -0.02977 37 2PX 0.08884 0.10265 -0.12978 -0.14277 -0.01806 38 2PY 0.12632 -0.06462 0.06706 0.04997 -0.03000 39 2PZ 0.16752 0.08932 -0.11038 -0.09102 -0.30103 40 3S -2.15792 0.00951 -2.35277 0.27639 -0.19123 41 3PX 0.72276 -0.04464 -0.78464 0.34766 0.10214 42 3PY 1.79909 0.04572 1.08252 -0.24926 0.14254 43 3PZ 0.25988 -0.15879 -2.28327 0.26433 0.48153 44 4XX 0.00392 0.01018 -0.01329 0.00326 0.02659 45 4YY 0.00238 -0.00730 -0.00983 0.00006 -0.00480 46 4ZZ -0.01308 0.00748 0.02343 -0.01632 -0.01566 47 4XY 0.00539 0.00746 -0.00472 0.01586 0.01496 48 4XZ -0.00925 0.01510 -0.01110 0.01679 -0.00322 49 4YZ -0.01644 -0.01784 -0.01283 0.02502 0.02606 50 6 H 1S 0.08705 -0.05100 -0.03836 0.01639 -0.04425 51 2S -0.73450 -0.00399 -0.27728 0.04307 -0.05323 52 7 C 1S -0.07625 -0.00679 -0.04851 -0.01042 -0.00190 53 2S 0.06359 0.11352 -0.00604 -0.03890 -0.02980 54 2PX -0.08871 0.10285 0.12973 -0.14258 -0.01769 55 2PY 0.12643 0.06458 0.06708 -0.04977 0.03011 56 2PZ -0.16751 0.08957 0.11080 -0.09098 -0.30087 57 3S 2.15780 0.01236 2.35259 0.28135 -0.19034 58 3PX -0.72250 -0.04318 0.78398 0.34904 0.10231 59 3PY 1.79910 -0.04463 1.08139 0.25165 -0.14240 60 3PZ -0.25953 -0.15533 2.28334 0.26886 0.48287 61 4XX -0.00391 0.01019 0.01325 0.00328 0.02659 62 4YY -0.00237 -0.00729 0.00984 0.00008 -0.00478 63 4ZZ 0.01307 0.00745 -0.02338 -0.01636 -0.01569 64 4XY 0.00539 -0.00750 -0.00468 -0.01586 -0.01495 65 4XZ 0.00925 0.01511 0.01105 0.01680 -0.00322 66 4YZ -0.01643 0.01781 -0.01279 -0.02505 -0.02607 67 8 H 1S -0.08707 -0.05092 0.03841 0.01641 -0.04424 68 2S 0.73444 -0.00394 0.27720 0.04382 -0.05321 69 9 C 1S -0.05513 0.00113 -0.01133 -0.00271 0.00002 70 2S -0.01997 0.05973 0.00331 0.03144 -0.02586 71 2PX 0.10090 0.13074 -0.11131 0.09579 0.10957 72 2PY 0.03740 -0.13586 -0.20414 0.18366 0.18499 73 2PZ 0.04924 -0.07631 -0.06190 0.08310 -0.07394 74 3S 1.77136 -0.12265 0.10763 0.00978 0.18508 75 3PX 1.19974 -0.12385 -0.31802 -0.10236 -0.06955 76 3PY -0.28978 0.11811 -1.16079 -0.16240 -0.20154 77 3PZ 1.29935 0.12778 0.01322 -0.13414 0.09826 78 4XX -0.01216 -0.02855 0.02015 0.00502 -0.00666 79 4YY 0.00252 0.02829 -0.00834 -0.02649 -0.03809 80 4ZZ 0.00426 0.01168 -0.01230 0.02123 0.04463 81 4XY 0.00208 0.01468 0.00866 0.00409 0.02390 82 4XZ -0.02779 0.00253 -0.00740 0.01475 0.02434 83 4YZ -0.00110 -0.01622 0.00117 0.00474 -0.00340 84 10 H 1S 0.04497 -0.11375 0.06273 -0.00730 -0.11364 85 2S 0.28595 0.09323 -0.03051 0.03076 0.04429 86 11 H 1S 0.06892 0.07645 -0.05939 0.02479 0.12948 87 2S 0.25755 0.03255 0.21475 -0.05764 -0.04955 88 12 C 1S 0.05513 0.00113 0.01133 -0.00268 0.00001 89 2S 0.01998 0.05977 -0.00346 0.03137 -0.02585 90 2PX -0.10087 0.13102 0.11090 0.09591 0.10968 91 2PY 0.03745 0.13582 -0.20408 -0.18416 -0.18498 92 2PZ -0.04934 -0.07600 0.06170 0.08308 -0.07397 93 3S -1.77129 -0.12258 -0.10737 0.00944 0.18519 94 3PX -1.19927 -0.12321 0.31864 -0.10191 -0.06911 95 3PY -0.28932 -0.11990 -1.16083 0.16024 0.20072 96 3PZ -1.29982 0.12823 -0.01366 -0.13441 0.09860 97 4XX 0.01213 -0.02859 -0.02010 0.00498 -0.00666 98 4YY -0.00251 0.02826 0.00833 -0.02647 -0.03811 99 4ZZ -0.00422 0.01175 0.01224 0.02124 0.04464 100 4XY 0.00208 -0.01469 0.00866 -0.00407 -0.02390 101 4XZ 0.02779 0.00251 0.00733 0.01478 0.02428 102 4YZ -0.00111 0.01624 0.00117 -0.00477 0.00335 103 13 H 1S -0.06898 0.07668 0.05922 0.02484 0.12953 104 2S -0.25753 0.03267 -0.21479 -0.05817 -0.04962 105 14 H 1S -0.04491 -0.11387 -0.06245 -0.00742 -0.11361 106 2S -0.28600 0.09340 0.03026 0.03073 0.04432 107 15 C 1S -0.01374 0.00811 -0.01266 -0.00986 0.01874 108 2S 0.03213 0.19208 0.08227 -0.04555 -0.10557 109 2PX 0.05425 -0.08909 0.13678 -0.15291 -0.04690 110 2PY 0.01507 -0.31220 0.03335 0.03268 -0.15508 111 2PZ 0.00701 -0.19938 0.03008 0.18414 -0.25118 112 3S 0.22172 -0.03987 -0.02820 0.00017 0.07798 113 3PX -0.07282 0.10095 -0.13452 0.26843 0.00691 114 3PY -0.00488 0.39959 0.15562 -0.11731 0.13907 115 3PZ -0.00619 0.28654 -0.04626 -0.14222 0.28001 116 4XX 0.00092 -0.01304 0.01046 -0.01252 -0.01139 117 4YY 0.00053 0.06761 0.00200 -0.00045 -0.00390 118 4ZZ -0.00005 -0.01001 -0.00933 -0.00679 0.01966 119 4XY -0.00125 -0.00023 -0.00384 0.00750 0.01783 120 4XZ -0.00355 0.03392 -0.00252 -0.01448 0.01266 121 4YZ -0.00073 0.00279 -0.00340 0.01020 0.00185 122 16 H 1S -0.02022 0.12543 -0.04247 -0.08178 0.11497 123 2S -0.14683 -0.00080 -0.22684 0.14786 0.09041 124 17 C 1S 0.01375 0.00815 0.01267 -0.00984 0.01872 125 2S -0.03207 0.19202 -0.08243 -0.04574 -0.10559 126 2PX -0.05431 -0.08902 -0.13645 -0.15324 -0.04668 127 2PY 0.01526 0.31203 0.03301 -0.03246 0.15510 128 2PZ -0.00724 -0.19956 -0.03003 0.18405 -0.25121 129 3S -0.22180 -0.04082 0.02820 0.00061 0.07847 130 3PX 0.07274 0.10034 0.13388 0.26882 0.00636 131 3PY -0.00508 -0.40014 0.15588 0.11801 -0.13871 132 3PZ 0.00636 0.28616 0.04584 -0.14209 0.28004 133 4XX -0.00093 -0.01307 -0.01041 -0.01253 -0.01141 134 4YY -0.00050 0.06763 -0.00209 -0.00048 -0.00391 135 4ZZ 0.00005 -0.01001 0.00934 -0.00676 0.01965 136 4XY -0.00125 0.00023 -0.00383 -0.00751 -0.01783 137 4XZ 0.00357 0.03391 0.00249 -0.01447 0.01264 138 4YZ -0.00073 -0.00281 -0.00340 -0.01022 -0.00185 139 18 H 1S 0.02032 0.12544 0.04227 -0.08169 0.11492 140 2S 0.14682 -0.00113 0.22660 0.14850 0.09056 141 19 O 1S 0.00430 -0.01239 0.00557 0.00027 -0.00861 142 2S -0.03211 0.00218 -0.01285 -0.08496 0.06226 143 2PX 0.06332 -0.10436 0.05513 -0.05971 0.02797 144 2PY -0.01037 0.06617 -0.01709 0.04710 -0.10932 145 2PZ 0.00573 -0.02803 0.03817 0.08034 -0.14347 146 3S 0.00760 0.31740 -0.07984 0.41182 -0.20958 147 3PX 0.03930 0.07208 0.01404 -0.03375 0.02313 148 3PY -0.00051 -0.28065 0.00156 -0.14217 0.05481 149 3PZ 0.02357 -0.03013 0.01572 0.09151 -0.03176 150 4XX -0.00494 -0.03484 -0.00562 -0.01422 -0.00663 151 4YY -0.01060 0.06147 -0.00721 0.01547 -0.00576 152 4ZZ -0.00235 -0.03795 0.01311 -0.04759 0.01190 153 4XY 0.00460 -0.02821 0.02224 -0.02598 0.00349 154 4XZ -0.00107 0.00412 0.00736 0.01174 -0.03731 155 4YZ 0.00453 -0.01170 0.01166 -0.00595 -0.00326 156 20 O 1S -0.00432 -0.01240 -0.00556 0.00026 -0.00861 157 2S 0.03219 0.00213 0.01307 -0.08488 0.06224 158 2PX -0.06337 -0.10441 -0.05491 -0.05990 0.02799 159 2PY -0.01037 -0.06622 -0.01687 -0.04711 0.10920 160 2PZ -0.00581 -0.02802 -0.03821 0.08028 -0.14345 161 3S -0.00761 0.31802 0.07854 0.41179 -0.20930 162 3PX -0.03930 0.07195 -0.01414 -0.03384 0.02319 163 3PY -0.00043 0.28079 0.00087 0.14210 -0.05480 164 3PZ -0.02367 -0.03032 -0.01584 0.09140 -0.03181 165 4XX 0.00493 -0.03485 0.00572 -0.01419 -0.00663 166 4YY 0.01063 0.06146 0.00710 0.01551 -0.00575 167 4ZZ 0.00236 -0.03799 -0.01296 -0.04761 0.01188 168 4XY 0.00460 0.02824 0.02216 0.02603 -0.00349 169 4XZ 0.00106 0.00413 -0.00738 0.01173 -0.03729 170 4YZ 0.00453 0.01167 0.01163 0.00596 0.00326 171 21 C 1S 0.00000 -0.00507 0.00001 -0.00297 0.01419 172 2S 0.00002 0.28776 -0.00043 0.24092 -0.11606 173 2PX 0.00003 -0.37676 0.00072 -0.46277 0.23482 174 2PY -0.07969 -0.00014 -0.21614 -0.00021 -0.00011 175 2PZ -0.00003 -0.16382 0.00016 0.04639 -0.07757 176 3S -0.00002 -0.77695 0.00112 -0.56223 0.14337 177 3PX -0.00004 0.81100 -0.00164 1.06138 -0.33907 178 3PY 0.00707 0.00017 0.25591 0.00009 0.00021 179 3PZ 0.00012 0.35879 -0.00030 -0.13594 0.27208 180 4XX 0.00001 0.02731 -0.00002 -0.00533 0.01895 181 4YY -0.00001 -0.04092 0.00005 -0.01631 0.01106 182 4ZZ 0.00000 0.00172 -0.00002 0.02064 -0.01367 183 4XY -0.00517 -0.00002 -0.01083 -0.00001 -0.00001 184 4XZ -0.00001 0.00234 -0.00003 0.03194 -0.00193 185 4YZ -0.00291 0.00000 0.00303 0.00000 -0.00001 186 22 H 1S 0.00005 0.00252 0.00018 -0.19724 0.08019 187 2S 0.00002 -0.02737 0.00019 -0.20376 0.12770 188 23 H 1S -0.00002 -0.03606 -0.00001 0.06200 -0.02969 189 2S -0.00004 -0.02045 0.00003 0.03647 -0.12338 71 72 73 74 75 V V V V V Eigenvalues -- 0.53041 0.53410 0.54682 0.57017 0.57365 1 1 C 1S 0.00563 0.00196 0.00159 -0.01623 -0.03643 2 2S -0.24028 0.12069 -0.02475 0.08082 -0.12770 3 2PX 0.24211 -0.12718 -0.08498 -0.17288 0.16674 4 2PY 0.09142 -0.12658 -0.01608 0.24987 -0.29960 5 2PZ 0.05656 0.02604 0.08688 -0.04469 0.04135 6 3S 0.30123 -0.10692 -0.15482 -0.03224 0.75081 7 3PX -0.16676 0.13503 0.20831 0.08665 -0.26215 8 3PY -0.12890 0.17962 -0.16450 -0.26583 0.29171 9 3PZ -0.14584 -0.02289 0.23864 -0.02423 -0.61132 10 4XX 0.00139 -0.00624 -0.00007 0.00771 0.02761 11 4YY -0.04607 0.03438 -0.00228 -0.01859 -0.06989 12 4ZZ 0.01635 0.00036 -0.00634 0.00423 -0.01066 13 4XY -0.00379 0.00185 -0.00231 0.02933 0.00349 14 4XZ 0.00864 -0.01231 0.00538 0.01514 -0.02865 15 4YZ 0.03569 -0.00755 0.00001 0.03009 0.00748 16 2 C 1S 0.00564 0.00197 -0.00157 -0.01605 0.03649 17 2S -0.24036 0.12071 0.02506 0.08118 0.12715 18 2PX 0.24219 -0.12737 0.08491 -0.17302 -0.16637 19 2PY -0.09133 0.12665 -0.01573 -0.25080 -0.29871 20 2PZ 0.05662 0.02621 -0.08683 -0.04496 -0.04103 21 3S 0.30098 -0.10743 0.15439 -0.03566 -0.75108 22 3PX -0.16661 0.13532 -0.20818 0.08740 0.26206 23 3PY 0.12924 -0.17912 -0.16482 0.26709 0.29062 24 3PZ -0.14529 -0.02217 -0.23866 -0.02099 0.61155 25 4XX 0.00140 -0.00623 0.00004 0.00758 -0.02764 26 4YY -0.04608 0.03438 0.00237 -0.01832 0.06992 27 4ZZ 0.01634 0.00035 0.00637 0.00430 0.01063 28 4XY 0.00378 -0.00183 -0.00230 -0.02934 0.00358 29 4XZ 0.00863 -0.01230 -0.00540 0.01522 0.02858 30 4YZ -0.03571 0.00756 0.00002 -0.03006 0.00756 31 3 H 1S 0.12790 -0.05386 -0.01345 0.12713 -0.16225 32 2S -0.09585 0.02664 -0.10867 -0.04030 0.09916 33 4 H 1S 0.12788 -0.05389 0.01343 0.12780 0.16194 34 2S -0.09604 0.02643 0.10870 -0.04094 -0.09917 35 5 C 1S -0.00178 0.00642 -0.01239 0.03624 -0.00197 36 2S -0.08195 0.08051 0.01316 -0.00553 -0.09637 37 2PX 0.14736 0.04203 -0.06960 -0.05106 0.06601 38 2PY 0.00076 -0.05708 -0.00187 0.18356 -0.07636 39 2PZ -0.09230 -0.06527 0.01898 0.07998 -0.33037 40 3S -0.22473 -0.11389 0.40044 0.12033 -0.98692 41 3PX -0.20520 -0.20564 0.15630 0.10512 -0.16710 42 3PY 0.25379 0.02766 -0.21116 -0.21836 0.74805 43 3PZ 0.09951 0.20455 0.23191 -0.34062 0.27388 44 4XX -0.01061 0.00345 0.00586 -0.03060 0.03514 45 4YY 0.03746 0.00000 -0.00460 0.05788 -0.03442 46 4ZZ -0.04550 0.02369 -0.00108 0.01557 -0.03997 47 4XY -0.02718 0.00450 0.01739 0.03777 -0.04107 48 4XZ -0.03808 0.01303 0.00015 0.04583 -0.04331 49 4YZ -0.00361 0.02368 0.00350 -0.01380 -0.00826 50 6 H 1S 0.12424 -0.02851 -0.01486 0.33731 -0.18009 51 2S -0.21031 0.09027 0.04641 -0.05292 -0.22129 52 7 C 1S -0.00180 0.00640 0.01238 0.03622 0.00182 53 2S -0.08200 0.08056 -0.01298 -0.00520 0.09617 54 2PX 0.14754 0.04177 0.06977 -0.05092 -0.06594 55 2PY -0.00067 0.05710 -0.00174 -0.18367 -0.07612 56 2PZ -0.09233 -0.06516 -0.01906 0.08120 0.32993 57 3S -0.22435 -0.11283 -0.40059 0.12436 0.98704 58 3PX -0.20528 -0.20488 -0.15678 0.10543 0.16714 59 3PY -0.25376 -0.02726 -0.21105 0.22117 0.74828 60 3PZ 0.10010 0.20503 -0.23153 -0.34071 -0.27188 61 4XX -0.01058 0.00345 -0.00586 -0.03073 -0.03508 62 4YY 0.03743 0.00002 0.00461 0.05801 0.03428 63 4ZZ -0.04553 0.02368 0.00111 0.01570 0.03985 64 4XY 0.02721 -0.00454 0.01740 -0.03788 -0.04091 65 4XZ -0.03809 0.01305 -0.00014 0.04594 0.04310 66 4YZ 0.00364 -0.02369 0.00345 0.01376 -0.00833 67 8 H 1S 0.12415 -0.02848 0.01479 0.33786 0.17903 68 2S -0.21030 0.09032 -0.04623 -0.05210 0.22163 69 9 C 1S 0.00371 -0.00177 0.00777 -0.00966 0.00367 70 2S -0.16893 0.03786 -0.02048 0.09779 -0.18379 71 2PX -0.24033 -0.03373 0.04973 0.27579 -0.23692 72 2PY 0.06824 0.12005 0.04404 0.26260 0.02267 73 2PZ -0.31557 0.21631 0.03919 0.08032 -0.24414 74 3S 0.22574 -0.07166 -0.06311 -0.35727 0.84495 75 3PX 0.27800 0.07962 -0.11512 -0.36252 0.57339 76 3PY -0.09062 -0.17315 0.08170 -0.35956 -0.36683 77 3PZ 0.34620 -0.29630 -0.08879 -0.02387 0.63958 78 4XX -0.00583 0.04769 -0.01004 0.00002 -0.01474 79 4YY -0.03997 -0.01686 0.00313 -0.02769 0.00243 80 4ZZ 0.01975 -0.02368 0.00543 0.01839 0.00921 81 4XY -0.00558 -0.01680 -0.00021 -0.01244 0.00696 82 4XZ -0.02067 -0.00019 0.00986 -0.00229 0.00237 83 4YZ -0.01689 0.03143 0.00040 -0.03902 0.00758 84 10 H 1S 0.01800 0.14803 -0.02499 0.01402 -0.05046 85 2S -0.03868 -0.08089 0.01890 -0.02914 0.08265 86 11 H 1S 0.14554 -0.15838 0.01550 0.11141 0.09394 87 2S -0.08324 0.04411 0.01413 0.02293 0.12899 88 12 C 1S 0.00372 -0.00175 -0.00776 -0.00968 -0.00362 89 2S -0.16901 0.03787 0.02050 0.09854 0.18340 90 2PX -0.24018 -0.03354 -0.04991 0.27633 0.23584 91 2PY -0.06815 -0.12040 0.04396 -0.26230 0.02401 92 2PZ -0.31587 0.21634 -0.03883 0.08102 0.24398 93 3S 0.22592 -0.07175 0.06309 -0.36058 -0.84321 94 3PX 0.27804 0.07930 0.11535 -0.36403 -0.57188 95 3PY 0.09019 0.17308 0.08181 0.35755 -0.36881 96 3PZ 0.34657 -0.29624 0.08831 -0.02584 -0.64008 97 4XX -0.00579 0.04766 0.01015 0.00010 0.01468 98 4YY -0.03999 -0.01680 -0.00315 -0.02776 -0.00226 99 4ZZ 0.01972 -0.02369 -0.00550 0.01840 -0.00928 100 4XY 0.00561 0.01682 -0.00017 0.01249 0.00697 101 4XZ -0.02069 -0.00011 -0.00986 -0.00233 -0.00230 102 4YZ 0.01685 -0.03142 0.00033 0.03902 0.00749 103 13 H 1S 0.14548 -0.15835 -0.01580 0.11109 -0.09429 104 2S -0.08336 0.04410 -0.01414 0.02243 -0.12930 105 14 H 1S 0.01812 0.14792 0.02529 0.01422 0.05035 106 2S -0.03871 -0.08085 -0.01908 -0.02965 -0.08257 107 15 C 1S -0.01562 -0.00736 0.05307 0.00439 -0.01018 108 2S -0.06274 0.23127 -0.12323 0.14696 -0.21281 109 2PX 0.21120 0.38947 -0.16890 -0.11914 0.05128 110 2PY 0.15267 -0.00987 0.03923 0.07889 -0.12195 111 2PZ -0.00139 -0.07381 -0.09137 0.01491 -0.24526 112 3S -0.01025 -0.29868 -1.13773 -0.44815 0.77899 113 3PX -0.16797 -0.49297 -0.12029 0.18317 0.01593 114 3PY -0.29038 -0.00596 0.91168 -0.28423 -0.03904 115 3PZ 0.11910 0.05473 -0.34776 -0.00666 0.69147 116 4XX -0.00590 -0.01555 0.01094 -0.02029 0.00934 117 4YY -0.01908 0.03916 -0.00172 0.01223 -0.02749 118 4ZZ -0.00676 -0.00920 0.00145 0.03425 -0.00814 119 4XY -0.01450 -0.04165 -0.01518 0.02009 0.00519 120 4XZ -0.01460 0.00763 0.02099 0.00393 0.00566 121 4YZ -0.01269 -0.03249 -0.01292 -0.03675 -0.00151 122 16 H 1S 0.02063 0.11898 0.06614 0.15069 -0.02246 123 2S 0.14220 -0.07743 -0.44082 0.11733 0.13779 124 17 C 1S -0.01560 -0.00727 -0.05309 0.00443 0.01014 125 2S -0.06294 0.23102 0.12379 0.14779 0.21195 126 2PX 0.21124 0.38878 0.16987 -0.11866 -0.05117 127 2PY -0.15268 0.01001 0.03920 -0.07961 -0.12202 128 2PZ -0.00144 -0.07389 0.09135 0.01582 0.24498 129 3S -0.01020 -0.30024 1.13696 -0.45126 -0.77758 130 3PX -0.16826 -0.49241 0.11901 0.18160 -0.01570 131 3PY 0.29018 0.00489 0.91188 0.28408 -0.03910 132 3PZ 0.11919 0.05418 0.34762 -0.00912 -0.69094 133 4XX -0.00591 -0.01552 -0.01097 -0.02037 -0.00931 134 4YY -0.01908 0.03914 0.00179 0.01237 0.02737 135 4ZZ -0.00678 -0.00918 -0.00147 0.03423 0.00807 136 4XY 0.01450 0.04169 -0.01509 -0.02008 0.00519 137 4XZ -0.01460 0.00767 -0.02099 0.00389 -0.00572 138 4YZ 0.01270 0.03249 -0.01285 0.03676 -0.00165 139 18 H 1S 0.02067 0.11918 -0.06590 0.15084 0.02199 140 2S 0.14219 -0.07780 0.44070 0.11673 -0.13752 141 19 O 1S 0.00684 0.00078 -0.01247 -0.00456 0.00379 142 2S -0.08054 -0.16965 0.09203 -0.00834 -0.00556 143 2PX -0.01577 0.07266 0.00410 0.00787 -0.01598 144 2PY 0.16041 0.18246 -0.28437 0.08642 -0.04986 145 2PZ 0.04333 -0.03373 -0.05229 -0.04951 -0.06437 146 3S 0.26685 0.62512 -0.39493 0.15491 -0.27059 147 3PX 0.03663 -0.03159 -0.30860 -0.04005 0.14034 148 3PY -0.07409 -0.20184 0.03538 -0.04233 0.05912 149 3PZ -0.05000 -0.15950 -0.11034 -0.07088 0.05633 150 4XX -0.01501 -0.04565 -0.02726 0.00293 -0.02930 151 4YY 0.01478 -0.00490 -0.00372 0.00239 0.00242 152 4ZZ -0.01621 -0.05296 0.02118 -0.01114 0.00325 153 4XY -0.00091 0.00516 0.06192 0.00501 -0.01653 154 4XZ 0.02745 0.04386 -0.04614 -0.00002 -0.02623 155 4YZ 0.00167 0.00880 0.01960 -0.00627 0.00078 156 20 O 1S 0.00684 0.00076 0.01248 -0.00457 -0.00377 157 2S -0.08050 -0.16945 -0.09240 -0.00830 0.00545 158 2PX -0.01578 0.07259 -0.00398 0.00803 0.01586 159 2PY -0.16029 -0.18190 -0.28485 -0.08672 -0.04972 160 2PZ 0.04334 -0.03383 0.05237 -0.04916 0.06440 161 3S 0.26661 0.62406 0.39620 0.15624 0.27055 162 3PX 0.03658 -0.03217 0.30853 -0.04055 -0.14013 163 3PY 0.07405 0.20162 0.03577 0.04264 0.05903 164 3PZ -0.05007 -0.15972 0.10999 -0.07129 -0.05610 165 4XX -0.01502 -0.04570 0.02719 0.00306 0.02925 166 4YY 0.01478 -0.00489 0.00372 0.00238 -0.00242 167 4ZZ -0.01619 -0.05293 -0.02128 -0.01112 -0.00326 168 4XY 0.00091 -0.00526 0.06192 -0.00510 -0.01648 169 4XZ 0.02743 0.04373 0.04625 0.00015 0.02620 170 4YZ -0.00169 -0.00884 0.01957 0.00623 0.00078 171 21 C 1S -0.01483 -0.02372 -0.00004 -0.00489 0.00000 172 2S 0.12847 0.14505 0.00020 0.04266 0.00004 173 2PX -0.25266 -0.23367 -0.00033 0.00942 -0.00024 174 2PY 0.00016 0.00079 -0.84182 0.00011 0.01987 175 2PZ -0.11978 -0.27308 -0.00013 -0.17868 0.00008 176 3S -0.19964 -0.25609 -0.00030 -0.05982 -0.00006 177 3PX 0.42895 0.21363 0.00016 0.01955 0.00083 178 3PY -0.00027 -0.00138 1.45704 -0.00018 -0.06915 179 3PZ 0.20615 0.57001 0.00024 0.50303 -0.00013 180 4XX 0.00480 0.01347 0.00000 0.00465 0.00001 181 4YY -0.03160 -0.02817 -0.00004 -0.01605 -0.00001 182 4ZZ -0.00027 -0.02572 -0.00001 -0.00240 -0.00001 183 4XY 0.00001 0.00007 -0.07800 -0.00003 -0.00726 184 4XZ -0.00655 -0.03320 -0.00004 -0.01471 0.00004 185 4YZ 0.00001 0.00004 -0.03734 -0.00003 -0.01227 186 22 H 1S -0.00999 0.13730 0.00018 0.04846 -0.00022 187 2S -0.06569 0.09268 0.00010 0.11414 -0.00027 188 23 H 1S -0.04578 -0.16919 -0.00015 -0.05863 -0.00004 189 2S -0.04783 -0.08222 0.00001 -0.22659 -0.00004 76 77 78 79 80 V V V V V Eigenvalues -- 0.58250 0.58292 0.60597 0.62645 0.64668 1 1 C 1S -0.00559 -0.03424 -0.03174 -0.01260 0.05548 2 2S -0.12959 0.03362 -0.25534 -0.05702 -0.18087 3 2PX -0.27763 -0.22503 0.28197 -0.07750 0.04385 4 2PY 0.05210 0.00481 0.17028 0.15609 0.20102 5 2PZ 0.11089 0.03242 -0.37521 -0.06239 0.11242 6 3S -0.08675 0.46064 0.36798 0.53610 0.25828 7 3PX 0.24715 0.02325 -0.26719 -0.01726 0.05769 8 3PY -0.07736 0.24467 -0.10799 -0.23276 -0.45524 9 3PZ 0.01627 -0.70390 0.43443 -0.23690 0.19079 10 4XX 0.00713 0.01972 0.00895 0.02716 -0.03745 11 4YY -0.02006 -0.00676 -0.04866 -0.03027 0.04948 12 4ZZ -0.01903 -0.03033 -0.06211 -0.00614 0.02545 13 4XY 0.00815 -0.00552 -0.03206 -0.00825 -0.00423 14 4XZ -0.02572 0.00212 -0.07268 0.02852 0.02728 15 4YZ 0.00019 0.00213 0.00733 -0.02143 -0.01827 16 2 C 1S -0.00597 0.03421 -0.03172 -0.01272 -0.05546 17 2S -0.12940 -0.03468 -0.25529 -0.05670 0.18074 18 2PX -0.27970 0.22225 0.28207 -0.07778 -0.04363 19 2PY -0.05165 0.00479 -0.17023 -0.15605 0.20117 20 2PZ 0.11131 -0.03118 -0.37536 -0.06277 -0.11232 21 3S -0.08160 -0.46176 0.36763 0.53638 -0.25915 22 3PX 0.24725 -0.02071 -0.26720 -0.01738 -0.05769 23 3PY 0.07475 0.24467 0.10792 0.23145 -0.45540 24 3PZ 0.00898 0.70411 0.43495 -0.23830 -0.19034 25 4XX 0.00738 -0.01968 0.00896 0.02721 0.03743 26 4YY -0.02023 0.00665 -0.04866 -0.03032 -0.04946 27 4ZZ -0.01935 0.03016 -0.06212 -0.00620 -0.02548 28 4XY -0.00809 -0.00556 0.03207 0.00822 -0.00425 29 4XZ -0.02574 -0.00238 -0.07268 0.02846 -0.02733 30 4YZ -0.00022 0.00220 -0.00731 0.02140 -0.01837 31 3 H 1S -0.05348 -0.07927 -0.31626 -0.09177 0.17422 32 2S -0.01770 0.21883 -0.00288 0.11477 -0.11010 33 4 H 1S -0.05452 0.07853 -0.31624 -0.09206 -0.17399 34 2S -0.01555 -0.21883 -0.00299 0.11534 0.10972 35 5 C 1S -0.00895 0.00923 0.02908 0.02165 -0.02631 36 2S -0.08511 -0.05781 -0.18623 0.03492 0.02389 37 2PX -0.02659 -0.31466 -0.00982 -0.32418 0.17009 38 2PY 0.08400 0.13250 0.06475 -0.14526 -0.05247 39 2PZ -0.07064 -0.07143 -0.13894 0.12608 0.36214 40 3S 0.15840 -0.30007 0.35833 -0.46914 -0.01144 41 3PX 0.07341 0.28607 0.07180 0.31025 -0.15412 42 3PY -0.26391 0.03561 -0.04285 0.97373 0.04324 43 3PZ 0.24350 -0.53833 -0.00882 -0.40563 -0.12347 44 4XX 0.00085 0.00092 0.00584 0.01254 0.01635 45 4YY -0.00421 -0.01018 -0.03165 -0.02125 -0.03418 46 4ZZ -0.01255 0.00552 0.03947 0.02511 -0.01698 47 4XY -0.02289 0.02050 -0.02105 0.01565 -0.01090 48 4XZ -0.01226 0.00572 0.05174 -0.02299 -0.04420 49 4YZ -0.00246 -0.01000 -0.01166 -0.02275 0.01011 50 6 H 1S -0.04963 0.01721 -0.06017 -0.04113 -0.15365 51 2S 0.08957 -0.05213 0.08308 -0.42043 0.05237 52 7 C 1S -0.00888 -0.00938 0.02909 0.02173 0.02629 53 2S -0.08574 0.05713 -0.18626 0.03472 -0.02417 54 2PX -0.02972 0.31428 -0.00971 -0.32413 -0.16952 55 2PY -0.08516 0.13199 -0.06475 0.14493 -0.05286 56 2PZ -0.07185 0.07085 -0.13887 0.12538 -0.36239 57 3S 0.15447 0.30136 0.35887 -0.46956 0.01269 58 3PX 0.07626 -0.28534 0.07153 0.30965 0.15337 59 3PY 0.26261 0.03777 0.04308 -0.97324 0.04524 60 3PZ 0.23925 0.54106 -0.00881 -0.40710 0.12430 61 4XX 0.00092 -0.00086 0.00582 0.01248 -0.01641 62 4YY -0.00436 0.01003 -0.03164 -0.02118 0.03425 63 4ZZ -0.01255 -0.00564 0.03951 0.02516 0.01694 64 4XY 0.02275 0.02078 0.02104 -0.01569 -0.01088 65 4XZ -0.01225 -0.00589 0.05176 -0.02289 0.04423 66 4YZ 0.00258 -0.01000 0.01163 0.02275 0.01007 67 8 H 1S -0.04970 -0.01831 -0.06013 -0.04080 0.15390 68 2S 0.08881 0.05325 0.08314 -0.42045 -0.05167 69 9 C 1S 0.00587 0.00322 -0.01172 -0.00303 -0.01999 70 2S -0.00879 -0.03739 0.06998 -0.06151 0.05897 71 2PX -0.01190 0.09662 0.13851 -0.11885 -0.17765 72 2PY -0.27919 0.02575 0.09682 0.27467 -0.27648 73 2PZ 0.03278 0.05766 0.14589 -0.15848 -0.13686 74 3S 0.24679 0.12038 -0.03651 -0.09578 -0.38003 75 3PX 0.02183 -0.28158 -0.27189 0.31710 0.48853 76 3PY 0.50144 -0.34096 -0.07025 -0.64331 0.55986 77 3PZ -0.09900 -0.11674 -0.24080 0.47790 0.39434 78 4XX -0.01858 -0.01563 0.00730 0.02492 -0.00751 79 4YY 0.05384 0.00825 0.01427 -0.06543 -0.03097 80 4ZZ -0.01854 0.00026 -0.01549 0.01613 0.01498 81 4XY -0.01119 0.00923 0.01495 0.03495 -0.01000 82 4XZ 0.01930 0.01857 0.00465 -0.02934 -0.03330 83 4YZ -0.00127 0.00672 0.01441 0.03393 -0.00653 84 10 H 1S -0.04358 -0.01086 -0.09632 0.10370 -0.02466 85 2S 0.00567 0.09291 -0.08776 0.14033 0.04377 86 11 H 1S -0.05013 -0.00946 -0.15018 0.03709 0.02383 87 2S -0.05671 0.08802 -0.01937 0.23094 -0.03225 88 12 C 1S 0.00591 -0.00314 -0.01173 -0.00305 0.01999 89 2S -0.00955 0.03725 0.07008 -0.06112 -0.05889 90 2PX -0.01143 -0.09704 0.13857 -0.11815 0.17782 91 2PY 0.27862 0.02901 -0.09685 -0.27430 -0.27625 92 2PZ 0.03327 -0.05734 0.14591 -0.15839 0.13715 93 3S 0.24960 -0.11739 -0.03682 -0.09703 0.37993 94 3PX 0.02029 0.28224 -0.27184 0.31494 -0.48899 95 3PY -0.49728 -0.34659 0.07035 0.64292 0.55918 96 3PZ -0.09967 0.11553 -0.24121 0.47716 -0.39526 97 4XX -0.01879 0.01548 0.00731 0.02499 0.00747 98 4YY 0.05395 -0.00765 0.01428 -0.06542 0.03105 99 4ZZ -0.01852 -0.00051 -0.01551 0.01607 -0.01499 100 4XY 0.01106 0.00930 -0.01495 -0.03492 -0.00988 101 4XZ 0.01951 -0.01836 0.00464 -0.02931 0.03334 102 4YZ 0.00124 0.00666 -0.01439 -0.03400 -0.00645 103 13 H 1S -0.05009 0.00877 -0.15020 0.03694 -0.02400 104 2S -0.05562 -0.08870 -0.01953 0.23068 0.03187 105 14 H 1S -0.04377 0.01038 -0.09631 0.10360 0.02480 106 2S 0.00684 -0.09275 -0.08768 0.13999 -0.04412 107 15 C 1S -0.01697 -0.01944 -0.01706 -0.00682 -0.02228 108 2S -0.28951 -0.06098 -0.03840 -0.11546 -0.01576 109 2PX -0.15069 -0.41046 0.01956 0.05574 -0.07507 110 2PY 0.17298 -0.32071 0.18693 -0.12315 -0.33190 111 2PZ -0.13767 -0.13270 0.03315 -0.06777 -0.14271 112 3S 0.15720 0.37822 -0.12957 0.36393 -0.14477 113 3PX 0.43656 1.05328 -0.00371 0.00408 0.24995 114 3PY -0.46874 0.06216 -0.39681 0.31422 0.76181 115 3PZ 0.24882 0.11304 0.04060 -0.04634 0.13346 116 4XX -0.01789 0.03007 -0.01017 0.01026 0.04523 117 4YY -0.04824 -0.05366 -0.02622 0.00991 -0.06454 118 4ZZ 0.02160 0.02948 -0.00096 -0.03994 0.00361 119 4XY 0.03361 -0.00064 -0.00222 0.00515 -0.00136 120 4XZ -0.02818 0.00430 -0.00236 -0.01022 -0.00387 121 4YZ 0.02358 0.01289 0.00916 0.05940 0.00978 122 16 H 1S -0.07931 -0.11337 -0.04670 -0.30033 -0.19546 123 2S 0.34518 0.08609 0.19236 -0.04791 -0.13954 124 17 C 1S -0.01719 0.01924 -0.01707 -0.00678 0.02230 125 2S -0.29040 0.05796 -0.03846 -0.11546 0.01570 126 2PX -0.15476 0.40924 0.01950 0.05565 0.07489 127 2PY -0.16951 -0.32255 -0.18697 0.12254 -0.33187 128 2PZ -0.13945 0.13164 0.03314 -0.06731 0.14264 129 3S 0.16218 -0.37638 -0.12882 0.36470 0.14470 130 3PX 0.44744 -1.04935 -0.00329 0.00423 -0.24972 131 3PY 0.46813 0.06690 0.39730 -0.31251 0.76192 132 3PZ 0.25101 -0.11101 0.04118 -0.04650 -0.13315 133 4XX -0.01754 -0.03024 -0.01017 0.01015 -0.04525 134 4YY -0.04884 0.05314 -0.02621 0.01002 0.06452 135 4ZZ 0.02190 -0.02930 -0.00097 -0.03992 -0.00355 136 4XY -0.03361 -0.00093 0.00221 -0.00516 -0.00139 137 4XZ -0.02812 -0.00462 -0.00234 -0.01020 0.00389 138 4YZ -0.02371 0.01260 -0.00916 -0.05939 0.00988 139 18 H 1S -0.08057 0.11222 -0.04667 -0.29985 0.19605 140 2S 0.34627 -0.08269 0.19273 -0.04753 0.13958 141 19 O 1S 0.00070 0.00089 0.00392 0.00281 0.00559 142 2S -0.14419 -0.07605 -0.02420 -0.12864 -0.01178 143 2PX -0.02911 -0.06690 0.01764 0.02356 -0.08606 144 2PY 0.05426 -0.03338 0.03973 -0.12475 -0.05799 145 2PZ -0.11888 -0.08425 0.00201 -0.03875 0.05795 146 3S 0.41907 -0.11934 0.05912 0.22960 -0.23305 147 3PX 0.02772 0.06909 -0.02954 -0.00891 0.13491 148 3PY -0.09434 0.04859 0.06798 -0.04128 0.00774 149 3PZ 0.04510 0.16731 -0.01208 0.04072 0.02846 150 4XX -0.04412 -0.04157 0.00666 -0.04050 -0.03513 151 4YY -0.01076 -0.01309 -0.00892 -0.03627 0.01876 152 4ZZ -0.05699 -0.04117 -0.00434 -0.04199 0.00246 153 4XY -0.02336 -0.03604 0.00070 -0.02321 -0.00372 154 4XZ -0.02186 -0.05872 0.01145 -0.00163 -0.02441 155 4YZ -0.01658 -0.02164 0.00410 -0.00720 -0.00298 156 20 O 1S 0.00072 -0.00088 0.00393 0.00280 -0.00559 157 2S -0.14505 0.07441 -0.02413 -0.12859 0.01206 158 2PX -0.02979 0.06669 0.01761 0.02366 0.08597 159 2PY -0.05390 -0.03394 -0.03974 0.12458 -0.05808 160 2PZ -0.11985 0.08310 0.00203 -0.03890 -0.05787 161 3S 0.41759 0.12405 0.05867 0.22985 0.23228 162 3PX 0.02868 -0.06887 -0.02937 -0.00907 -0.13475 163 3PY 0.09375 0.04956 -0.06807 0.04128 0.00761 164 3PZ 0.04691 -0.16686 -0.01199 0.04075 -0.02848 165 4XX -0.04460 0.04109 0.00668 -0.04042 0.03518 166 4YY -0.01089 0.01292 -0.00890 -0.03628 -0.01868 167 4ZZ -0.05743 0.04058 -0.00431 -0.04199 -0.00237 168 4XY 0.02377 -0.03579 -0.00068 0.02321 -0.00374 169 4XZ -0.02251 0.05856 0.01145 -0.00160 0.02437 170 4YZ 0.01679 -0.02148 -0.00408 0.00722 -0.00298 171 21 C 1S -0.01339 -0.00008 -0.00393 -0.00911 0.00002 172 2S 0.13389 0.00068 0.01477 0.00608 -0.00003 173 2PX -0.31956 -0.00168 -0.04696 -0.11430 0.00012 174 2PY -0.00161 0.28186 -0.00002 -0.00008 0.00405 175 2PZ -0.28019 -0.00144 -0.03449 -0.08454 0.00009 176 3S -0.20409 -0.00098 0.07410 0.04476 -0.00007 177 3PX 1.22976 0.00630 0.08587 0.44178 -0.00030 178 3PY 0.00273 -0.46361 0.00006 0.00012 -0.04093 179 3PZ 0.95401 0.00482 0.09766 0.31172 -0.00029 180 4XX 0.02724 0.00013 -0.00286 0.01225 0.00000 181 4YY -0.03110 -0.00015 0.00298 0.02450 -0.00002 182 4ZZ -0.03339 -0.00018 -0.00042 -0.05074 0.00004 183 4XY -0.00001 0.00163 0.00000 -0.00001 -0.00913 184 4XZ 0.03159 0.00015 0.00663 0.01389 0.00000 185 4YZ 0.00011 -0.02011 0.00000 -0.00002 0.00020 186 22 H 1S -0.20346 -0.00104 -0.03742 -0.10419 0.00006 187 2S -0.10949 -0.00061 0.00858 -0.05196 0.00003 188 23 H 1S -0.23750 -0.00130 -0.02162 -0.22001 0.00023 189 2S -0.56466 -0.00276 -0.08101 -0.10711 0.00007 81 82 83 84 85 V V V V V Eigenvalues -- 0.65172 0.68029 0.69177 0.72548 0.73815 1 1 C 1S 0.02706 -0.01105 -0.00303 -0.00260 0.01282 2 2S -0.03185 -0.07460 0.11097 -0.06398 -0.01140 3 2PX -0.20958 -0.42519 -0.03900 0.10090 -0.28275 4 2PY 0.11650 -0.02757 -0.03257 0.01875 0.22114 5 2PZ 0.17576 0.32693 0.09949 -0.03108 0.05310 6 3S 0.27720 0.34018 0.06900 -0.21006 0.31217 7 3PX 0.34102 0.67890 -0.04662 -0.30863 0.49919 8 3PY -0.37507 -0.37667 -0.06254 -0.11415 -0.00501 9 3PZ -0.24929 -0.65754 -0.30878 0.15501 -0.61275 10 4XX -0.00578 0.00643 -0.00542 0.00327 -0.00990 11 4YY 0.02391 0.00065 0.01214 -0.01481 0.02906 12 4ZZ 0.01605 -0.01297 0.00244 -0.00505 0.00716 13 4XY -0.00470 -0.00628 0.00836 -0.00298 0.00716 14 4XZ 0.04810 0.00095 0.02600 -0.00397 0.00672 15 4YZ 0.00864 -0.00427 -0.05508 0.02042 0.01725 16 2 C 1S -0.02702 0.01105 -0.00313 -0.00264 -0.01279 17 2S 0.03187 0.07483 0.11121 -0.06389 0.01154 18 2PX 0.20962 0.42531 -0.03958 0.10149 0.28341 19 2PY 0.11675 -0.02749 0.03286 -0.01809 0.22148 20 2PZ -0.17559 -0.32683 0.09970 -0.03117 -0.05329 21 3S -0.27802 -0.33988 0.06757 -0.21133 -0.31291 22 3PX -0.34093 -0.67937 -0.04572 -0.30958 -0.49903 23 3PY -0.37542 -0.37666 0.06207 0.11382 -0.00610 24 3PZ 0.24964 0.65687 -0.30927 0.15653 0.61404 25 4XX 0.00576 -0.00645 -0.00536 0.00332 0.00985 26 4YY -0.02388 -0.00063 0.01205 -0.01490 -0.02899 27 4ZZ -0.01603 0.01300 0.00237 -0.00507 -0.00717 28 4XY -0.00470 -0.00628 -0.00835 0.00300 0.00715 29 4XZ -0.04812 -0.00088 0.02595 -0.00399 -0.00667 30 4YZ 0.00860 -0.00420 0.05506 -0.02039 0.01709 31 3 H 1S 0.12503 -0.04823 -0.07841 -0.01061 0.11913 32 2S -0.07867 0.20205 0.22945 -0.01100 0.02258 33 4 H 1S -0.12479 0.04828 -0.07876 -0.01096 -0.11866 34 2S 0.07836 -0.20170 0.22987 -0.01117 -0.02380 35 5 C 1S -0.01398 -0.00843 -0.01429 -0.00263 -0.00061 36 2S 0.21840 0.01763 0.19802 0.20495 -0.02616 37 2PX -0.26819 0.02118 0.00026 -0.60103 0.31995 38 2PY -0.18265 0.00729 -0.30021 0.00461 -0.13119 39 2PZ 0.06286 -0.03463 -0.04303 -0.05543 -0.20363 40 3S -0.73966 -0.24417 -0.43064 -0.65713 -0.46543 41 3PX 0.39120 -0.13826 0.38494 1.28334 -0.57727 42 3PY 0.61034 0.01775 0.67504 -0.02716 0.44465 43 3PZ 0.24698 0.38522 -0.09363 0.44570 -0.10094 44 4XX 0.00161 0.01037 0.01115 -0.01102 -0.01419 45 4YY -0.01555 -0.00527 -0.03447 0.03788 0.00754 46 4ZZ 0.01439 -0.00479 0.01709 -0.00589 -0.01532 47 4XY 0.00390 0.02115 0.01551 0.00184 -0.02189 48 4XZ -0.03868 -0.02208 0.00295 -0.00527 -0.01399 49 4YZ -0.01260 0.02803 -0.00588 -0.01376 -0.01522 50 6 H 1S -0.00788 -0.11814 -0.09501 0.08260 0.11909 51 2S -0.08384 0.02809 -0.18121 -0.03284 -0.15486 52 7 C 1S 0.01395 0.00842 -0.01428 -0.00264 0.00057 53 2S -0.21858 -0.01736 0.19777 0.20499 0.02582 54 2PX 0.26851 -0.02142 0.00004 -0.60181 -0.31904 55 2PY -0.18299 0.00769 0.29977 -0.00476 -0.13208 56 2PZ -0.06285 0.03485 -0.04347 -0.05517 0.20349 57 3S 0.74064 0.24341 -0.42919 -0.65623 0.46753 58 3PX -0.39164 0.13927 0.38490 1.28484 0.57511 59 3PY 0.61196 0.01663 -0.67311 0.02777 0.44790 60 3PZ -0.24636 -0.38595 -0.09314 0.44665 0.10142 61 4XX -0.00162 -0.01035 0.01112 -0.01101 0.01413 62 4YY 0.01559 0.00521 -0.03444 0.03788 -0.00748 63 4ZZ -0.01446 0.00483 0.01713 -0.00587 0.01530 64 4XY 0.00392 0.02112 -0.01556 -0.00187 -0.02191 65 4XZ 0.03869 0.02207 0.00299 -0.00526 0.01396 66 4YZ -0.01262 0.02805 0.00583 0.01374 -0.01525 67 8 H 1S 0.00796 0.11803 -0.09498 0.08236 -0.11907 68 2S 0.08438 -0.02855 -0.18061 -0.03267 0.15627 69 9 C 1S 0.03345 -0.01269 -0.00232 0.02057 0.00225 70 2S -0.36323 0.14243 0.06130 -0.07663 -0.03000 71 2PX -0.18189 0.05337 0.11927 -0.02767 -0.17419 72 2PY 0.43153 -0.38021 -0.03904 -0.27234 0.05972 73 2PZ -0.18895 0.00849 -0.21932 -0.14531 -0.11613 74 3S 1.35475 -0.49345 0.19966 0.88305 0.04489 75 3PX 0.73048 -0.17937 -0.18104 0.18496 0.57215 76 3PY -1.10585 1.17786 0.02431 0.60285 -0.56083 77 3PZ 0.70634 -0.22491 0.55714 0.47830 0.48825 78 4XX -0.00856 0.02159 -0.02306 0.02158 -0.01866 79 4YY 0.03533 -0.03474 0.01665 0.01567 0.00760 80 4ZZ -0.01898 0.01540 0.02912 -0.00281 0.01236 81 4XY 0.00591 -0.00581 0.08186 0.00064 0.00108 82 4XZ 0.00447 0.02043 0.01863 0.04487 -0.02133 83 4YZ 0.00856 0.00056 -0.01218 0.02207 -0.00457 84 10 H 1S 0.16708 -0.09465 -0.26496 0.14310 0.00019 85 2S 0.29311 -0.23783 0.07227 -0.08417 0.29253 86 11 H 1S 0.08914 -0.09918 0.11487 0.01230 0.17240 87 2S 0.27908 -0.27587 0.11338 0.12640 0.24055 88 12 C 1S -0.03345 0.01268 -0.00233 0.02058 -0.00225 89 2S 0.36320 -0.14244 0.06177 -0.07656 0.02991 90 2PX 0.18170 -0.05315 0.11987 -0.02743 0.17418 91 2PY 0.43170 -0.38021 0.03984 0.27267 0.05972 92 2PZ 0.18952 -0.00911 -0.21907 -0.14503 0.11657 93 3S -1.35470 0.49374 0.19759 0.88293 -0.04595 94 3PX -0.73011 0.17882 -0.18346 0.18416 -0.57236 95 3PY -1.10632 1.17789 -0.02725 -0.60472 -0.56080 96 3PZ -0.70810 0.22671 0.55509 0.47745 -0.49051 97 4XX 0.00853 -0.02161 -0.02299 0.02163 0.01864 98 4YY -0.03528 0.03474 0.01656 0.01566 -0.00760 99 4ZZ 0.01896 -0.01538 0.02916 -0.00283 -0.01241 100 4XY 0.00604 -0.00593 -0.08188 -0.00065 0.00127 101 4XZ -0.00446 -0.02043 0.01863 0.04493 0.02131 102 4YZ 0.00852 0.00062 0.01216 -0.02206 -0.00450 103 13 H 1S -0.08938 0.09940 0.11455 0.01187 -0.17257 104 2S -0.27933 0.27608 0.11239 0.12603 -0.24128 105 14 H 1S -0.16699 0.09424 -0.26524 0.14325 0.00030 106 2S -0.29331 0.23803 0.07146 -0.08479 -0.29306 107 15 C 1S 0.00303 0.01235 -0.01252 0.01722 -0.00359 108 2S 0.14480 -0.01074 0.24306 0.17791 -0.30944 109 2PX 0.25102 0.24590 0.00245 0.08618 -0.33640 110 2PY -0.09182 0.03581 0.19380 0.05999 0.35303 111 2PZ 0.00405 -0.02741 0.30349 -0.10736 0.10856 112 3S -0.82816 -0.15722 -0.58340 -0.73149 1.81472 113 3PX -0.69232 -0.66925 -0.20391 -0.10421 0.96974 114 3PY 0.46469 -0.11375 -0.42030 -0.34550 -1.05909 115 3PZ -0.46823 -0.05582 -0.52402 -0.00342 0.36070 116 4XX 0.01583 -0.02126 -0.02831 -0.00628 -0.02781 117 4YY -0.01912 0.00451 0.00310 0.01202 0.05518 118 4ZZ 0.00201 0.00773 0.03119 0.02418 -0.01521 119 4XY -0.00552 -0.00003 -0.01238 -0.04182 0.01522 120 4XZ -0.01721 -0.01095 -0.01006 -0.00440 0.00246 121 4YZ 0.00193 -0.00790 0.01282 -0.01986 0.00182 122 16 H 1S -0.03749 0.14234 -0.09273 0.15551 0.00406 123 2S -0.30778 -0.04336 0.05781 0.10488 0.30485 124 17 C 1S -0.00301 -0.01237 -0.01249 0.01722 0.00352 125 2S -0.14502 0.01100 0.24290 0.17847 0.30959 126 2PX -0.25124 -0.24594 0.00243 0.08682 0.33608 127 2PY -0.09186 0.03569 -0.19389 -0.05943 0.35333 128 2PZ -0.00427 0.02772 0.30372 -0.10770 -0.10810 129 3S 0.82838 0.15671 -0.58347 -0.73470 -1.81321 130 3PX 0.69268 0.66923 -0.20412 -0.10593 -0.96892 131 3PY 0.46499 -0.11352 0.42053 0.34383 -1.06074 132 3PZ 0.46867 0.05520 -0.52505 -0.00397 -0.36098 133 4XX -0.01582 0.02124 -0.02838 -0.00623 0.02786 134 4YY 0.01908 -0.00449 0.00312 0.01194 -0.05511 135 4ZZ -0.00197 -0.00772 0.03120 0.02418 0.01507 136 4XY -0.00552 -0.00004 0.01238 0.04184 0.01486 137 4XZ 0.01721 0.01093 -0.01010 -0.00443 -0.00251 138 4YZ 0.00198 -0.00795 -0.01281 0.01985 0.00161 139 18 H 1S 0.03785 -0.14270 -0.09255 0.15532 -0.00559 140 2S 0.30782 0.04341 0.05759 0.10451 -0.30425 141 19 O 1S -0.00307 -0.00532 -0.00254 -0.01047 0.00594 142 2S -0.08947 -0.08660 -0.03178 0.03921 0.05294 143 2PX 0.07764 0.11966 0.13644 0.13288 -0.06791 144 2PY 0.03034 0.05696 0.09919 0.07875 -0.01645 145 2PZ -0.01280 -0.13676 -0.09668 -0.01342 0.01183 146 3S 0.51408 0.46057 0.39319 0.21324 -0.50836 147 3PX -0.13519 -0.12478 -0.21848 -0.21998 0.19636 148 3PY -0.08225 -0.06054 -0.05738 -0.05987 0.10791 149 3PZ -0.06450 0.00463 -0.05050 -0.05624 0.12979 150 4XX -0.01614 -0.00966 0.03326 0.01998 0.01821 151 4YY -0.02504 -0.03832 -0.02541 0.01239 -0.00111 152 4ZZ -0.01863 -0.02239 -0.01074 -0.00366 0.02310 153 4XY 0.00930 0.00120 0.00984 0.00297 -0.02227 154 4XZ 0.01855 0.00572 0.04168 -0.00046 -0.02486 155 4YZ 0.02211 0.01684 0.00350 0.02434 -0.04010 156 20 O 1S 0.00306 0.00532 -0.00256 -0.01048 -0.00587 157 2S 0.08963 0.08650 -0.03195 0.03909 -0.05300 158 2PX -0.07780 -0.11953 0.13661 0.13301 0.06763 159 2PY 0.03024 0.05695 -0.09923 -0.07871 -0.01559 160 2PZ 0.01285 0.13663 -0.09681 -0.01332 -0.01204 161 3S -0.51449 -0.45999 0.39402 0.21412 0.50692 162 3PX 0.13535 0.12455 -0.21885 -0.22037 -0.19554 163 3PY -0.08220 -0.06040 0.05741 0.05996 0.10694 164 3PZ 0.06462 -0.00467 -0.05049 -0.05661 -0.12985 165 4XX 0.01615 0.00966 0.03323 0.01993 -0.01825 166 4YY 0.02512 0.03828 -0.02550 0.01237 0.00095 167 4ZZ 0.01866 0.02235 -0.01080 -0.00369 -0.02294 168 4XY 0.00928 0.00119 -0.00982 -0.00300 -0.02221 169 4XZ -0.01861 -0.00567 0.04168 -0.00040 0.02498 170 4YZ 0.02211 0.01685 -0.00350 -0.02442 -0.03990 171 21 C 1S 0.00001 -0.00001 -0.00618 0.02053 -0.00002 172 2S -0.00002 0.00005 0.09208 0.00948 0.00007 173 2PX 0.00001 0.00003 0.01958 -0.03795 0.00028 174 2PY 0.01458 0.05933 -0.00006 0.00008 0.04080 175 2PZ 0.00010 -0.00018 -0.15453 0.04678 -0.00051 176 3S -0.00008 -0.00003 -0.06227 -0.10409 0.00023 177 3PX 0.00018 -0.00009 -0.30964 -0.03022 -0.00123 178 3PY -0.01170 -0.09557 0.00014 -0.00028 -0.17811 179 3PZ -0.00025 0.00055 0.41062 -0.24267 0.00170 180 4XX 0.00000 0.00001 -0.00406 -0.01179 0.00010 181 4YY -0.00003 0.00001 0.02020 -0.00829 0.00012 182 4ZZ 0.00003 -0.00003 -0.01100 0.04668 -0.00019 183 4XY 0.00650 0.01354 0.00000 0.00001 -0.00509 184 4XZ 0.00002 -0.00004 -0.05213 0.01093 -0.00021 185 4YZ 0.00623 -0.00342 0.00001 0.00001 -0.00593 186 22 H 1S -0.00008 0.00011 0.20246 0.11882 0.00051 187 2S -0.00011 0.00010 0.17283 -0.04191 0.00045 188 23 H 1S 0.00016 -0.00023 -0.13343 0.27279 -0.00105 189 2S -0.00002 -0.00010 -0.03652 -0.00122 0.00013 86 87 88 89 90 V V V V V Eigenvalues -- 0.74711 0.76306 0.80486 0.81303 0.82474 1 1 C 1S -0.01220 -0.02004 -0.02024 0.01434 0.00353 2 2S 0.02241 0.21882 0.05087 -0.07772 -0.04099 3 2PX -0.22168 -0.07099 -0.06537 0.17876 -0.09761 4 2PY 0.11409 0.16079 0.17408 -0.23643 -0.00317 5 2PZ 0.05040 -0.20225 0.02541 -0.05922 -0.06325 6 3S 0.27171 -0.95370 0.57605 0.97361 -0.19943 7 3PX 0.17098 0.23172 0.28345 -0.25678 0.19380 8 3PY -0.25416 -0.45421 -0.64237 0.65164 -0.08895 9 3PZ -0.39557 0.45541 -0.66271 -0.05308 0.20547 10 4XX 0.02253 0.02452 0.00094 -0.04549 0.00861 11 4YY -0.01609 -0.00382 0.02839 0.01696 -0.00647 12 4ZZ -0.00168 -0.02142 -0.02641 0.02662 -0.00916 13 4XY -0.00060 0.02102 0.00253 -0.02251 0.01103 14 4XZ -0.00213 0.00217 -0.01639 0.00750 0.01046 15 4YZ -0.05009 0.05558 -0.00011 -0.02725 0.02500 16 2 C 1S -0.01223 -0.02002 0.02024 0.01427 0.00357 17 2S 0.02236 0.21872 -0.05078 -0.07743 -0.04144 18 2PX -0.22054 -0.07120 0.06561 0.17870 -0.09732 19 2PY -0.11347 -0.16101 0.17450 0.23579 0.00261 20 2PZ 0.05000 -0.20237 -0.02548 -0.05879 -0.06325 21 3S 0.27100 -0.95245 -0.57424 0.97541 -0.19664 22 3PX 0.16902 0.23220 -0.28383 -0.25705 0.19259 23 3PY 0.25390 0.45446 -0.64401 -0.64925 0.09037 24 3PZ -0.39306 0.45487 0.66244 -0.05658 0.20488 25 4XX 0.02254 0.02449 -0.00102 -0.04546 0.00857 26 4YY -0.01620 -0.00375 -0.02831 0.01704 -0.00637 27 4ZZ -0.00168 -0.02143 0.02642 0.02657 -0.00920 28 4XY 0.00062 -0.02103 0.00263 0.02250 -0.01104 29 4XZ -0.00214 0.00215 0.01636 0.00748 0.01044 30 4YZ 0.05014 -0.05558 -0.00004 0.02722 -0.02499 31 3 H 1S -0.15940 -0.03622 -0.01154 0.02835 0.08469 32 2S 0.32061 -0.11185 0.43460 -0.21111 -0.17894 33 4 H 1S -0.15978 -0.03604 0.01116 0.02824 0.08469 34 2S 0.32030 -0.11178 -0.43476 -0.20898 -0.17835 35 5 C 1S 0.01329 0.00255 0.01209 -0.01073 -0.00456 36 2S 0.02115 0.13469 -0.15431 0.27176 -0.12703 37 2PX 0.05471 0.03406 0.34003 -0.02912 0.08323 38 2PY -0.28900 -0.10258 0.08658 -0.12298 0.03065 39 2PZ -0.05094 -0.55738 -0.16219 0.18878 -0.06299 40 3S -0.25936 0.13579 0.58071 -0.73549 0.49512 41 3PX -0.14018 0.12776 -1.21205 0.01561 -0.14574 42 3PY 1.04377 -0.01043 -0.02325 0.13446 -0.11046 43 3PZ -0.15744 1.26046 -0.06934 -0.78518 0.23372 44 4XX 0.01095 -0.03178 0.02416 -0.00887 0.00129 45 4YY -0.03193 0.02717 -0.03335 0.01846 -0.01716 46 4ZZ 0.01935 0.03468 0.01521 -0.00200 0.00396 47 4XY -0.00151 -0.00034 0.01275 0.00433 -0.00289 48 4XZ 0.00286 0.00951 0.01782 0.00125 -0.00680 49 4YZ -0.00557 -0.04401 0.00466 0.01691 -0.00799 50 6 H 1S -0.03166 0.13869 -0.02169 0.04546 -0.05992 51 2S -0.43317 -0.05343 0.10163 0.00600 0.03193 52 7 C 1S 0.01330 0.00257 -0.01211 -0.01069 -0.00454 53 2S 0.02116 0.13442 0.15498 0.27140 -0.12693 54 2PX 0.05370 0.03479 -0.34001 -0.02862 0.08314 55 2PY 0.28859 0.10293 0.08684 0.12297 -0.03056 56 2PZ -0.05006 -0.55746 0.16229 0.18818 -0.06283 57 3S -0.25707 0.13597 -0.58223 -0.73585 0.49444 58 3PX -0.13848 0.12620 1.21159 0.01421 -0.14526 59 3PY -1.04198 0.00913 -0.02349 -0.13545 0.10945 60 3PZ -0.15842 1.25989 0.06810 -0.78499 0.23246 61 4XX 0.01098 -0.03176 -0.02421 -0.00883 0.00136 62 4YY -0.03196 0.02712 0.03338 0.01841 -0.01722 63 4ZZ 0.01943 0.03468 -0.01516 -0.00202 0.00397 64 4XY 0.00142 0.00037 0.01275 -0.00437 0.00288 65 4XZ 0.00293 0.00952 -0.01784 0.00125 -0.00676 66 4YZ 0.00549 0.04401 0.00463 -0.01691 0.00798 67 8 H 1S -0.03196 0.13880 0.02182 0.04557 -0.05995 68 2S -0.43258 -0.05383 -0.10142 0.00553 0.03170 69 9 C 1S -0.00492 0.02120 -0.00060 0.00547 -0.00248 70 2S 0.06880 0.08086 -0.01296 0.05611 0.04200 71 2PX -0.05048 -0.18925 -0.01362 -0.01729 0.02726 72 2PY 0.14835 -0.13654 0.22712 0.00279 0.03273 73 2PZ -0.05486 -0.02907 0.38748 -0.07019 -0.03247 74 3S -0.26754 0.14583 0.07793 -0.36021 -0.14373 75 3PX 0.22201 0.65385 -0.23006 -0.01017 -0.02992 76 3PY -0.46009 0.15109 -1.04918 -0.17309 -0.05918 77 3PZ 0.30590 0.14093 -1.30902 0.19173 -0.01681 78 4XX 0.00630 0.02780 -0.04698 0.02615 0.00362 79 4YY -0.01690 0.00215 0.01875 -0.00964 0.00596 80 4ZZ 0.01478 0.00980 0.02144 -0.00805 -0.00600 81 4XY 0.04707 -0.00059 0.00247 0.00565 -0.01017 82 4XZ -0.01875 0.00569 -0.01294 -0.00612 -0.01205 83 4YZ 0.02497 0.04249 -0.01039 0.00553 0.01622 84 10 H 1S -0.05689 0.24706 -0.19028 0.11737 0.02694 85 2S 0.20432 0.20484 0.36178 -0.02095 -0.04305 86 11 H 1S 0.01842 0.08874 0.17697 -0.00403 -0.05356 87 2S 0.26115 0.15191 -0.54926 0.21777 0.07889 88 12 C 1S -0.00492 0.02119 0.00063 0.00547 -0.00249 89 2S 0.06888 0.08097 0.01314 0.05592 0.04224 90 2PX -0.04947 -0.18924 0.01335 -0.01739 0.02801 91 2PY -0.14846 0.13623 0.22733 -0.00302 -0.03289 92 2PZ -0.05468 -0.02901 -0.38719 -0.06953 -0.03321 93 3S -0.26779 0.14579 -0.07935 -0.35914 -0.14363 94 3PX 0.21837 0.65381 0.23040 -0.01020 -0.03215 95 3PY 0.45913 -0.14953 -1.04914 0.17462 0.06005 96 3PZ 0.30465 0.14124 1.30852 0.19023 -0.01477 97 4XX 0.00637 0.02774 0.04703 0.02602 0.00362 98 4YY -0.01690 0.00223 -0.01880 -0.00962 0.00601 99 4ZZ 0.01472 0.00979 -0.02142 -0.00795 -0.00602 100 4XY -0.04704 0.00061 0.00239 -0.00565 0.01018 101 4XZ -0.01871 0.00567 0.01295 -0.00610 -0.01201 102 4YZ -0.02501 -0.04249 -0.01029 -0.00550 -0.01624 103 13 H 1S 0.01791 0.08890 -0.17638 -0.00342 -0.05382 104 2S 0.26061 0.15216 0.54922 0.21673 0.08041 105 14 H 1S -0.05698 0.24693 0.19040 0.11685 0.02694 106 2S 0.20299 0.20524 -0.36110 -0.02006 -0.04421 107 15 C 1S 0.00482 -0.00629 -0.00771 0.00232 -0.02180 108 2S -0.13262 0.14671 0.06516 0.03759 0.01806 109 2PX -0.01147 -0.16294 0.14937 -0.09587 -0.02932 110 2PY 0.03031 -0.09317 -0.45775 0.11468 -0.01720 111 2PZ -0.02761 0.20277 0.16798 -0.02405 -0.01156 112 3S 0.13032 0.23409 -1.02552 -0.13295 0.06179 113 3PX -0.12228 0.10713 -0.61621 0.23580 0.03992 114 3PY -0.12663 0.32939 1.70472 -0.30959 0.11748 115 3PZ 0.06626 -0.18948 -0.36373 0.14893 -0.05790 116 4XX -0.01214 -0.02358 0.01209 0.02509 -0.04625 117 4YY -0.02127 0.03119 -0.07975 -0.01733 0.01782 118 4ZZ 0.01804 0.00371 0.02498 0.02675 -0.01481 119 4XY -0.07011 0.03952 -0.00313 0.00069 0.00224 120 4XZ 0.02713 0.02693 0.01700 0.05692 -0.05357 121 4YZ -0.05114 -0.01243 -0.01773 -0.02222 0.02975 122 16 H 1S 0.30461 0.03171 0.16013 0.11587 -0.23271 123 2S -0.30815 -0.22579 -0.76532 0.03824 0.12692 124 17 C 1S 0.00483 -0.00631 0.00772 0.00231 -0.02182 125 2S -0.13145 0.14631 -0.06508 0.03763 0.01838 126 2PX -0.01018 -0.16321 -0.14958 -0.09562 -0.02930 127 2PY -0.02881 0.09307 -0.45795 -0.11371 0.01681 128 2PZ -0.02774 0.20288 -0.16793 -0.02346 -0.01235 129 3S 0.12316 0.23621 1.02547 -0.13469 0.06276 130 3PX -0.12621 0.10778 0.61671 0.23463 0.04062 131 3PY 0.12213 -0.32867 1.70525 0.30609 -0.11480 132 3PZ 0.06408 -0.18901 0.36387 0.14750 -0.05511 133 4XX -0.01205 -0.02361 -0.01198 0.02509 -0.04625 134 4YY -0.02148 0.03121 0.07971 -0.01749 0.01790 135 4ZZ 0.01809 0.00370 -0.02496 0.02681 -0.01478 136 4XY 0.07017 -0.03953 -0.00315 -0.00067 -0.00225 137 4XZ 0.02709 0.02694 -0.01683 0.05696 -0.05357 138 4YZ 0.05117 0.01243 -0.01769 0.02227 -0.02977 139 18 H 1S 0.30473 0.03176 -0.15977 0.11633 -0.23278 140 2S -0.30985 -0.22562 0.76516 0.03614 0.12922 141 19 O 1S -0.01073 0.00577 0.00411 0.00801 -0.00382 142 2S -0.03449 -0.02263 -0.03066 -0.18133 0.17790 143 2PX -0.04323 -0.07609 -0.01838 -0.19280 0.17581 144 2PY 0.16251 -0.08073 0.01312 -0.04399 0.02576 145 2PZ 0.07629 0.00934 0.00084 -0.07574 0.20060 146 3S 0.25779 -0.07764 0.13718 0.00542 -0.14714 147 3PX -0.05283 0.11333 0.10077 0.26602 -0.11913 148 3PY -0.19161 0.03880 -0.12378 0.23162 -0.13628 149 3PZ 0.04990 0.02473 0.02618 -0.06413 -0.31841 150 4XX -0.00695 0.00827 -0.01908 -0.04713 0.07343 151 4YY 0.02044 -0.01747 0.02960 -0.06181 0.06074 152 4ZZ -0.04610 -0.01043 -0.01722 -0.05520 0.03656 153 4XY 0.01369 -0.00860 0.03111 0.02242 -0.03530 154 4XZ -0.03092 0.00714 0.00345 -0.03574 -0.00757 155 4YZ 0.03909 -0.01437 0.01025 0.03353 0.02394 156 20 O 1S -0.01076 0.00577 -0.00409 0.00802 -0.00382 157 2S -0.03471 -0.02253 0.03018 -0.18142 0.17803 158 2PX -0.04296 -0.07619 0.01767 -0.19282 0.17585 159 2PY -0.16261 0.08072 0.01322 0.04396 -0.02575 160 2PZ 0.07624 0.00933 -0.00097 -0.07576 0.20048 161 3S 0.25994 -0.07822 -0.13719 0.00580 -0.14787 162 3PX -0.05368 0.11360 -0.09991 0.26619 -0.11900 163 3PY 0.19211 -0.03885 -0.12429 -0.23142 0.13597 164 3PZ 0.04941 0.02487 -0.02617 -0.06395 -0.31848 165 4XX -0.00701 0.00830 0.01894 -0.04715 0.07349 166 4YY 0.02043 -0.01744 -0.02975 -0.06176 0.06073 167 4ZZ -0.04618 -0.01040 0.01708 -0.05524 0.03661 168 4XY -0.01380 0.00861 0.03106 -0.02250 0.03535 169 4XZ -0.03081 0.00711 -0.00352 -0.03574 -0.00759 170 4YZ -0.03926 0.01441 0.01022 -0.03355 -0.02397 171 21 C 1S -0.01029 -0.01308 -0.00007 -0.03636 0.04841 172 2S -0.06050 0.09790 -0.00025 -0.29437 0.17751 173 2PX -0.10440 0.07456 0.00039 0.33828 0.11384 174 2PY 0.00008 -0.00003 0.00343 -0.00014 -0.00010 175 2PZ 0.25445 -0.04918 -0.00033 -0.54453 -0.68786 176 3S 0.01784 -0.15523 0.00065 0.67882 -0.44935 177 3PX 0.65981 -0.20915 -0.00053 -0.61468 -0.35070 178 3PY -0.00048 0.00013 -0.07796 0.00036 0.00019 179 3PZ -0.78185 0.14706 0.00098 1.32658 1.42322 180 4XX -0.05429 -0.01380 -0.00005 -0.05378 -0.04497 181 4YY -0.05375 0.03187 -0.00002 -0.02641 0.01357 182 4ZZ 0.06081 -0.01817 -0.00004 0.01012 0.11151 183 4XY 0.00000 0.00000 0.01158 0.00000 0.00001 184 4XZ 0.11369 -0.00890 0.00007 0.06828 0.07690 185 4YZ -0.00001 -0.00001 0.01395 -0.00001 0.00003 186 22 H 1S -0.42964 -0.10590 -0.00077 -0.53915 -0.10189 187 2S -0.18976 0.23689 0.00096 1.03465 1.09309 188 23 H 1S 0.32993 -0.14081 -0.00033 0.00731 0.76018 189 2S -0.03569 0.06897 -0.00066 -1.06697 -1.32123 91 92 93 94 95 V V V V V Eigenvalues -- 0.83568 0.84782 0.84911 0.85912 0.86660 1 1 C 1S -0.01247 -0.01465 0.01484 0.00232 -0.02008 2 2S 0.25375 0.11386 0.04322 0.05272 0.19901 3 2PX -0.03015 0.03237 -0.33302 -0.01684 0.18897 4 2PY -0.35245 0.15682 -0.43233 -0.10201 0.09685 5 2PZ 0.04043 0.09274 -0.27451 -0.19288 0.45542 6 3S -1.50686 -0.55790 -1.45865 0.40870 0.16794 7 3PX 0.19896 -0.13170 1.39229 0.03299 -0.57371 8 3PY 0.79623 -0.35478 1.94531 0.34367 -0.59500 9 3PZ 0.26986 -0.14386 1.49116 0.24845 -1.43820 10 4XX 0.01681 0.01180 0.01015 -0.03514 0.01871 11 4YY -0.04397 0.00489 -0.06322 0.01881 0.03645 12 4ZZ 0.02811 -0.01568 0.01916 0.01811 -0.00625 13 4XY -0.00171 0.00072 -0.00845 -0.02052 -0.01833 14 4XZ 0.02264 -0.01506 0.00464 -0.01954 -0.03008 15 4YZ 0.00636 -0.00041 -0.00572 0.00654 -0.04850 16 2 C 1S 0.01254 -0.01424 -0.01523 0.00239 0.02009 17 2S -0.25403 0.11445 -0.03995 0.05289 -0.19907 18 2PX 0.03027 0.02360 0.33356 -0.01809 -0.18903 19 2PY -0.35170 -0.14674 -0.43643 0.10321 0.09687 20 2PZ -0.04068 0.08527 0.27646 -0.19484 -0.45510 21 3S 1.50955 -0.59300 1.44270 0.40207 -0.16958 22 3PX -0.19910 -0.09459 -1.39454 0.03788 0.57375 23 3PY 0.79438 0.30749 1.95431 -0.34950 -0.59508 24 3PZ -0.26945 -0.10352 -1.49283 0.25710 1.43850 25 4XX -0.01692 0.01204 -0.00989 -0.03512 -0.01868 26 4YY 0.04400 0.00340 0.06341 0.01860 -0.03642 27 4ZZ -0.02800 -0.01534 -0.01959 0.01811 0.00619 28 4XY -0.00165 -0.00047 -0.00840 0.02050 -0.01838 29 4XZ -0.02264 -0.01511 -0.00514 -0.01948 0.03006 30 4YZ 0.00645 0.00063 -0.00572 -0.00664 -0.04857 31 3 H 1S -0.00720 -0.08793 0.17848 0.01189 -0.32301 32 2S -0.22474 0.35041 -1.41842 -0.26601 1.28253 33 4 H 1S 0.00738 -0.08351 -0.18102 0.01302 0.32307 34 2S 0.22377 0.31389 1.42679 -0.27263 -1.28258 35 5 C 1S -0.01297 0.01218 -0.00754 0.00056 -0.02484 36 2S 0.06658 -0.00445 -0.06929 0.09017 0.23060 37 2PX -0.13248 -0.14824 0.24831 -0.02750 0.02272 38 2PY -0.00047 0.16716 0.24360 -0.04633 0.23558 39 2PZ -0.00476 -0.02544 0.16168 0.01911 0.12384 40 3S -0.32143 -0.22883 1.44227 -0.06269 -0.78236 41 3PX 0.48946 0.34174 -1.39328 -0.19527 -0.30393 42 3PY -0.28811 -0.26146 -1.22852 0.00278 -0.25948 43 3PZ 0.74662 0.39709 -0.48117 -0.33061 -0.35969 44 4XX -0.03974 0.01102 -0.01061 0.01122 0.05055 45 4YY 0.04020 0.01016 -0.00013 -0.00274 -0.08247 46 4ZZ -0.01087 -0.00478 0.03237 0.00402 0.03979 47 4XY -0.00202 0.01001 -0.03186 -0.01345 -0.00921 48 4XZ -0.03134 -0.00037 0.00022 0.00555 0.00511 49 4YZ -0.00527 -0.00711 0.00117 -0.00974 0.04975 50 6 H 1S 0.00295 -0.01462 -0.15629 0.01238 -0.28011 51 2S 0.03424 0.17542 0.63019 0.04574 0.68984 52 7 C 1S 0.01291 0.01198 0.00785 0.00057 0.02483 53 2S -0.06604 -0.00608 0.06922 0.09007 -0.23056 54 2PX 0.13266 -0.14100 -0.25228 -0.02715 -0.02282 55 2PY -0.00002 -0.17440 0.23873 0.04546 0.23478 56 2PZ 0.00521 -0.02145 -0.16248 0.01878 -0.12382 57 3S 0.32049 -0.18780 -1.44744 -0.05798 0.78223 58 3PX -0.48968 0.30180 1.40150 -0.19660 0.30457 59 3PY -0.28819 0.29576 -1.21976 0.00226 -0.25718 60 3PZ -0.74920 0.38358 0.49200 -0.32918 0.36103 61 4XX 0.03972 0.01094 0.01090 0.01113 -0.05054 62 4YY -0.04020 0.00989 0.00041 -0.00264 0.08245 63 4ZZ 0.01086 -0.00374 -0.03246 0.00411 -0.03976 64 4XY -0.00200 -0.00912 -0.03206 0.01353 -0.00919 65 4XZ 0.03137 -0.00017 -0.00021 0.00557 -0.00509 66 4YZ -0.00533 0.00706 0.00138 0.00995 0.04977 67 8 H 1S -0.00289 -0.01933 0.15578 0.01218 0.27982 68 2S -0.03430 0.19428 -0.62422 0.04775 -0.68821 69 9 C 1S 0.00709 -0.00195 -0.00895 0.01128 0.00077 70 2S -0.15839 -0.23883 0.10724 0.18707 0.05332 71 2PX -0.38860 -0.16820 0.00062 -0.39049 -0.18589 72 2PY -0.22257 -0.10114 0.17881 0.04234 0.14410 73 2PZ 0.23993 0.30915 0.15752 0.28340 0.18831 74 3S 0.14288 0.89871 -0.86180 -0.75923 -0.07261 75 3PX 1.39252 0.18605 -0.25279 0.62132 0.42710 76 3PY 1.09130 0.45237 -0.92402 -0.32891 -0.51383 77 3PZ -0.41564 -0.44098 -1.15639 -0.36889 -0.85228 78 4XX 0.01284 -0.06199 0.03202 -0.02717 -0.00383 79 4YY -0.02646 -0.00747 0.02123 0.00218 0.01363 80 4ZZ -0.00698 0.04032 -0.06675 0.05613 -0.00076 81 4XY 0.00445 0.04185 -0.00381 0.07055 0.01462 82 4XZ -0.00594 0.02873 -0.04304 -0.02878 -0.00044 83 4YZ -0.00796 -0.08297 0.00494 -0.03944 0.00626 84 10 H 1S 0.06024 -0.34903 0.11951 -0.17151 -0.06958 85 2S 0.48192 0.33286 0.11331 0.85520 0.56128 86 11 H 1S 0.09466 0.28716 -0.15174 0.37625 -0.01509 87 2S -0.65247 -0.85402 -0.08493 -0.43617 -0.42649 88 12 C 1S -0.00708 -0.00221 0.00893 0.01126 -0.00079 89 2S 0.15907 -0.23505 -0.11334 0.18718 -0.05358 90 2PX 0.38910 -0.16739 -0.00605 -0.39034 0.18652 91 2PY -0.22261 0.09522 0.18155 -0.04244 0.14446 92 2PZ -0.24087 0.31287 -0.14847 0.28286 -0.18858 93 3S -0.14573 0.87374 0.88447 -0.76151 0.07426 94 3PX -1.39335 0.17578 0.25888 0.62034 -0.42856 95 3PY 1.09200 -0.42383 -0.93625 0.32867 -0.51584 96 3PZ 0.41746 -0.47290 1.14274 -0.36781 0.85215 97 4XX -0.01269 -0.06114 -0.03377 -0.02710 0.00381 98 4YY 0.02648 -0.00689 -0.02141 0.00212 -0.01355 99 4ZZ 0.00689 0.03863 0.06795 0.05606 0.00068 100 4XY 0.00457 -0.04179 -0.00511 -0.07056 0.01469 101 4XZ 0.00586 0.02750 0.04371 -0.02899 0.00055 102 4YZ -0.00818 0.08271 0.00728 0.03934 0.00629 103 13 H 1S -0.09541 0.28253 0.16035 0.37620 0.01461 104 2S 0.65512 -0.85486 0.06071 -0.43513 0.42668 105 14 H 1S -0.05920 -0.34604 -0.12932 -0.17126 0.06935 106 2S -0.48271 0.33505 -0.10248 0.85431 -0.56245 107 15 C 1S 0.01139 0.01854 -0.01099 -0.00751 -0.00191 108 2S -0.20689 -0.10889 0.01639 -0.17947 -0.03679 109 2PX -0.03475 0.28119 0.01976 -0.14921 -0.06412 110 2PY -0.07523 -0.18088 0.09562 0.06881 0.29324 111 2PZ 0.43080 0.18930 -0.20739 -0.07122 -0.13765 112 3S -0.14374 0.27404 0.03307 0.22115 0.57066 113 3PX -0.25613 -0.44117 0.06378 0.38619 0.27715 114 3PY 0.86343 0.37123 -0.06022 -0.13012 -0.85343 115 3PZ -1.63385 -0.46347 0.71472 0.25968 0.42879 116 4XX -0.00623 -0.00651 0.03305 0.03813 0.01766 117 4YY -0.02545 0.00679 0.00866 -0.02727 0.03881 118 4ZZ -0.02266 -0.00998 -0.03394 -0.01445 -0.03351 119 4XY -0.00160 -0.00533 0.01215 -0.00302 0.01097 120 4XZ -0.01041 0.01905 -0.00439 -0.00250 -0.01686 121 4YZ -0.00334 -0.01483 0.00880 -0.03395 0.01824 122 16 H 1S 0.01654 0.10096 -0.22704 0.00680 -0.23069 123 2S -1.13608 -0.49428 0.51580 0.13441 0.63624 124 17 C 1S -0.01142 0.01820 0.01147 -0.00751 0.00194 125 2S 0.20730 -0.10743 -0.01946 -0.17910 0.03754 126 2PX 0.03370 0.28177 -0.01257 -0.14892 0.06473 127 2PY -0.07608 0.17807 0.10028 -0.06797 0.29339 128 2PZ -0.43142 0.18197 0.21210 -0.07090 0.13764 129 3S 0.14242 0.27422 -0.02574 0.21793 -0.57197 130 3PX 0.25788 -0.43856 -0.07461 0.38483 -0.27824 131 3PY 0.86557 -0.36718 -0.06985 0.12653 -0.85364 132 3PZ 1.63540 -0.43767 -0.72608 0.25859 -0.42911 133 4XX 0.00633 -0.00559 -0.03312 0.03813 -0.01775 134 4YY 0.02538 0.00710 -0.00851 -0.02739 -0.03872 135 4ZZ 0.02276 -0.01079 0.03361 -0.01441 0.03355 136 4XY -0.00161 0.00499 0.01224 0.00303 0.01090 137 4XZ 0.01040 0.01898 0.00481 -0.00246 0.01682 138 4YZ -0.00334 0.01459 0.00924 0.03401 0.01814 139 18 H 1S -0.01645 0.09477 0.22956 0.00715 0.23057 140 2S 1.13769 -0.47585 -0.52805 0.13277 -0.63602 141 19 O 1S -0.00562 -0.00138 0.00253 0.00109 -0.00061 142 2S -0.05961 -0.08328 -0.04025 0.04959 0.06785 143 2PX -0.03275 -0.06102 -0.02087 0.04891 -0.04445 144 2PY -0.00374 -0.03290 -0.04215 0.02108 0.01545 145 2PZ 0.10938 0.02569 0.01520 0.00319 0.06116 146 3S 0.44774 0.32841 -0.10279 -0.32804 -0.21244 147 3PX -0.13620 0.03207 0.14024 0.02742 0.06200 148 3PY -0.10115 -0.06278 0.04413 0.04688 0.03197 149 3PZ -0.04415 -0.06611 -0.00108 -0.00493 -0.05712 150 4XX -0.01367 0.00717 -0.03776 -0.04695 0.01174 151 4YY -0.01385 -0.03617 -0.01575 0.05669 -0.00097 152 4ZZ -0.01913 -0.04052 0.01229 0.02838 0.03897 153 4XY 0.01603 -0.01903 -0.01353 0.03673 -0.01768 154 4XZ 0.00862 0.01956 0.00069 -0.02892 0.01104 155 4YZ -0.00548 0.02724 -0.01144 -0.00723 -0.01494 156 20 O 1S 0.00563 -0.00129 -0.00256 0.00109 0.00061 157 2S 0.05974 -0.08407 0.03846 0.04938 -0.06786 158 2PX 0.03271 -0.06148 0.01930 0.04898 0.04421 159 2PY -0.00390 0.03405 -0.04147 -0.02102 0.01547 160 2PZ -0.10994 0.02570 -0.01439 0.00313 -0.06105 161 3S -0.44889 0.32379 0.11051 -0.32724 0.21325 162 3PX 0.13634 0.03640 -0.13923 0.02738 -0.06187 163 3PY -0.10155 0.06119 0.04593 -0.04669 0.03208 164 3PZ 0.04502 -0.06600 -0.00068 -0.00489 0.05695 165 4XX 0.01355 0.00621 0.03796 -0.04703 -0.01152 166 4YY 0.01391 -0.03652 0.01497 0.05671 0.00081 167 4ZZ 0.01927 -0.04008 -0.01317 0.02828 -0.03898 168 4XY 0.01591 0.01944 -0.01304 -0.03680 -0.01753 169 4XZ -0.00869 0.01956 -0.00015 -0.02891 -0.01091 170 4YZ -0.00533 -0.02694 -0.01210 0.00719 -0.01497 171 21 C 1S 0.00001 -0.02393 -0.00029 0.02832 -0.00004 172 2S -0.00064 0.31747 0.00407 -0.59427 0.00132 173 2PX -0.00039 0.19446 0.00237 -0.21519 0.00048 174 2PY 0.00076 0.00000 -0.00219 0.00000 -0.00928 175 2PZ 0.00082 -0.19908 -0.00245 -0.11681 0.00014 176 3S 0.00122 -0.61770 -0.00802 1.22521 -0.00280 177 3PX 0.00106 -0.53337 -0.00655 0.49972 -0.00115 178 3PY 0.00697 0.00134 -0.09534 0.00010 0.00535 179 3PZ -0.00136 0.29078 0.00373 0.49356 -0.00065 180 4XX 0.00017 -0.06532 -0.00078 0.07533 -0.00013 181 4YY -0.00013 0.06304 0.00077 -0.11123 0.00022 182 4ZZ -0.00011 0.01436 0.00017 -0.00164 0.00001 183 4XY -0.00331 0.00015 -0.01039 -0.00001 -0.00182 184 4XZ -0.00017 0.04601 0.00054 -0.02624 0.00004 185 4YZ 0.00987 -0.00009 0.00672 0.00002 0.00534 186 22 H 1S 0.00095 -0.40981 -0.00488 0.47342 -0.00086 187 2S -0.00238 0.92105 0.01133 -0.78888 0.00178 188 23 H 1S -0.00065 -0.00197 -0.00008 0.18046 -0.00032 189 2S 0.00106 -0.02408 -0.00018 -0.75983 0.00141 96 97 98 99 100 V V V V V Eigenvalues -- 0.88230 0.88806 0.89108 0.89725 0.90402 1 1 C 1S -0.02138 -0.00679 0.00461 0.00553 -0.00764 2 2S 0.01139 0.10155 -0.14370 -0.02001 0.32312 3 2PX 0.21913 0.07756 0.06413 0.00445 0.19878 4 2PY 0.12649 -0.24853 -0.09331 0.08406 0.20400 5 2PZ 0.26880 0.38498 0.18978 -0.05439 0.36312 6 3S 0.24997 0.06449 1.07563 -0.75745 -0.90282 7 3PX -0.39086 -0.32356 -0.35971 -0.05511 -0.50415 8 3PY -0.19299 1.48068 0.48979 -0.66275 -0.63533 9 3PZ -0.87698 -2.04197 -1.23793 0.09440 -0.88026 10 4XX 0.02900 0.02087 -0.01243 -0.00044 0.02032 11 4YY -0.01099 -0.02733 -0.01763 -0.03674 0.00912 12 4ZZ -0.02062 0.03476 0.04447 0.02703 0.02659 13 4XY -0.03166 -0.00493 -0.00567 0.06951 -0.01820 14 4XZ 0.00051 0.02674 0.00987 0.03472 -0.04270 15 4YZ -0.07051 -0.02097 0.00320 0.04741 -0.04592 16 2 C 1S -0.02132 0.00684 -0.00473 0.00554 -0.00764 17 2S 0.01025 -0.10195 0.14387 -0.02024 0.32300 18 2PX 0.21909 -0.07823 -0.06311 0.00414 0.19875 19 2PY -0.12690 -0.24767 -0.09360 -0.08549 -0.20406 20 2PZ 0.26835 -0.38556 -0.18817 -0.05645 0.36299 21 3S 0.25553 -0.06169 -1.07265 -0.76025 -0.90228 22 3PX -0.39148 0.32513 0.35824 -0.05318 -0.50403 23 3PY 0.19534 1.47720 0.48811 0.67144 0.63544 24 3PZ -0.87688 2.04420 1.23375 0.10710 -0.87991 25 4XX 0.02888 -0.02091 0.01260 -0.00053 0.02031 26 4YY -0.01105 0.02744 0.01772 -0.03652 0.00908 27 4ZZ -0.02045 -0.03482 -0.04468 0.02671 0.02662 28 4XY 0.03164 -0.00478 -0.00526 -0.06957 0.01821 29 4XZ 0.00055 -0.02681 -0.00998 0.03455 -0.04269 30 4YZ 0.07039 -0.02097 0.00371 -0.04750 0.04592 31 3 H 1S -0.26163 -0.04379 -0.03419 0.31302 -0.18749 32 2S 0.83035 0.58212 0.29086 -0.07927 1.15516 33 4 H 1S -0.26135 0.04345 0.03177 0.31316 -0.18747 34 2S 0.82956 -0.58432 -0.28653 -0.08236 1.15487 35 5 C 1S 0.00047 -0.01294 0.01883 0.01045 0.01558 36 2S -0.13833 -0.06831 -0.36483 -0.13272 -0.01568 37 2PX 0.02566 0.20308 -0.00427 -0.01467 0.00090 38 2PY -0.21355 -0.08382 -0.56269 -0.10918 -0.24445 39 2PZ 0.08220 0.18591 0.22059 -0.06002 -0.01843 40 3S -0.18210 -0.84728 0.34110 0.35914 -0.09739 41 3PX -0.09546 -0.71928 -0.49940 0.46564 0.15702 42 3PY 0.75811 0.45355 1.66349 0.42594 0.79140 43 3PZ -0.45339 -1.62432 -1.11221 0.84768 0.22239 44 4XX -0.01878 -0.01330 -0.02552 0.01853 -0.00325 45 4YY 0.00684 -0.00989 0.06497 0.00394 0.03558 46 4ZZ -0.03090 -0.01733 -0.07995 -0.03219 -0.03984 47 4XY 0.02630 0.00757 0.02754 0.00946 0.00298 48 4XZ -0.02748 -0.03114 -0.00596 0.02184 0.03275 49 4YZ 0.01744 0.05804 0.04546 -0.03342 0.01635 50 6 H 1S 0.11937 -0.00822 0.34327 0.05428 0.27994 51 2S -0.57504 -0.18517 -1.46351 -0.39012 -0.70985 52 7 C 1S 0.00063 0.01290 -0.01889 0.01042 0.01558 53 2S -0.14008 0.06896 0.36458 -0.13110 -0.01555 54 2PX 0.02515 -0.20292 0.00458 -0.01561 0.00096 55 2PY 0.21637 -0.08422 -0.56223 0.10723 0.24449 56 2PZ 0.08262 -0.18604 -0.22029 -0.06149 -0.01828 57 3S -0.17854 0.84682 -0.34288 0.36050 -0.09782 58 3PX -0.09526 0.71752 0.49712 0.47168 0.15688 59 3PY -0.76590 0.45516 1.66207 -0.41940 -0.79184 60 3PZ -0.45385 1.62293 1.10829 0.85845 0.22192 61 4XX -0.01892 0.01324 0.02532 0.01861 -0.00325 62 4YY 0.00727 0.00986 -0.06497 0.00374 0.03560 63 4ZZ -0.03130 0.01753 0.07997 -0.03181 -0.03985 64 4XY -0.02640 0.00763 0.02746 -0.00935 -0.00298 65 4XZ -0.02746 0.03113 0.00574 0.02199 0.03277 66 4YZ -0.01745 0.05794 0.04518 0.03378 -0.01632 67 8 H 1S 0.12131 0.00794 -0.34295 0.05322 0.27989 68 2S -0.58254 0.18692 1.46278 -0.38474 -0.70999 69 9 C 1S 0.00607 0.00294 -0.00253 -0.02599 -0.00465 70 2S -0.41343 -0.17224 -0.01569 -0.02989 0.19086 71 2PX 0.10121 0.44423 -0.05038 0.05821 -0.11013 72 2PY -0.10032 0.11324 0.06970 0.02003 0.00358 73 2PZ 0.13556 -0.23786 0.33674 -0.04302 0.11745 74 3S 0.72109 0.21251 0.28349 0.76055 0.05672 75 3PX -0.09551 -1.51547 -0.07670 0.08038 0.37001 76 3PY 0.05485 -0.90446 -0.73463 0.30096 0.07374 77 3PZ -0.24859 0.42236 -1.16615 0.19245 -0.21975 78 4XX 0.01085 0.03556 -0.01345 -0.03488 -0.01973 79 4YY -0.07128 -0.00134 0.00090 0.03675 0.03699 80 4ZZ -0.00721 -0.05812 0.01583 -0.01902 0.02123 81 4XY -0.07027 -0.02932 -0.02416 -0.00869 -0.00999 82 4XZ -0.00621 -0.02394 0.02671 0.03468 0.04778 83 4YZ -0.00871 -0.00302 -0.03647 0.05574 0.01275 84 10 H 1S 0.29774 0.27495 -0.11187 -0.21140 -0.12952 85 2S -0.47229 -1.08708 0.31617 -0.02543 0.39404 86 11 H 1S 0.02937 -0.17669 0.02102 -0.32001 -0.10535 87 2S -0.28948 0.72346 -0.69495 0.23219 -0.16420 88 12 C 1S 0.00605 -0.00288 0.00265 -0.02599 -0.00466 89 2S -0.41326 0.17339 0.01359 -0.02907 0.19103 90 2PX 0.10002 -0.44456 0.05150 0.05721 -0.11021 91 2PY 0.10053 0.11274 0.07061 -0.01914 -0.00371 92 2PZ 0.13752 0.23716 -0.33644 -0.04426 0.11737 93 3S 0.72269 -0.21684 -0.28207 0.75867 0.05653 94 3PX -0.09163 1.51555 0.07450 0.08556 0.37049 95 3PY -0.05446 -0.90244 -0.73506 -0.30852 -0.07318 96 3PZ -0.25341 -0.42167 1.16440 0.19798 -0.21913 97 4XX 0.01073 -0.03541 0.01376 -0.03489 -0.01978 98 4YY -0.07128 0.00136 -0.00135 0.03680 0.03701 99 4ZZ -0.00703 0.05816 -0.01598 -0.01894 0.02127 100 4XY 0.07035 -0.02951 -0.02366 0.00849 0.00994 101 4XZ -0.00598 0.02378 -0.02685 0.03472 0.04778 102 4YZ 0.00883 -0.00298 -0.03632 -0.05586 -0.01271 103 13 H 1S 0.02991 0.17736 -0.02034 -0.31993 -0.10522 104 2S -0.29363 -0.72266 0.69369 0.23399 -0.16397 105 14 H 1S 0.29689 -0.27469 0.11474 -0.21170 -0.12958 106 2S -0.46897 1.08775 -0.32010 -0.02391 0.39437 107 15 C 1S -0.00487 -0.00327 -0.00754 0.00908 -0.00626 108 2S -0.39790 -0.14838 -0.03138 -0.21481 0.36019 109 2PX -0.15076 -0.05278 -0.00101 0.14318 -0.00957 110 2PY -0.14645 -0.11920 0.09791 -0.13284 0.16695 111 2PZ 0.23134 0.23697 -0.21017 0.18806 -0.25248 112 3S 0.96402 0.20064 0.52444 0.50125 -0.83097 113 3PX 0.19009 -0.11906 0.26852 -0.34770 0.10284 114 3PY 0.40080 0.53962 -0.67881 0.25368 -0.45239 115 3PZ -0.43314 -0.83477 0.78707 -0.44408 0.58934 116 4XX -0.03903 -0.01936 0.02117 -0.02171 0.02825 117 4YY -0.01894 -0.02135 0.02186 -0.01305 0.01991 118 4ZZ -0.00330 -0.00290 -0.02035 0.01886 0.00550 119 4XY -0.02733 -0.00240 0.00120 -0.04094 0.04941 120 4XZ -0.00387 -0.00825 -0.00991 0.05601 -0.00386 121 4YZ -0.05377 -0.00724 0.01578 -0.01928 0.05179 122 16 H 1S 0.14635 0.06499 -0.15911 0.16332 -0.22168 123 2S -0.76522 -0.78155 0.69929 -0.68045 0.92268 124 17 C 1S -0.00490 0.00325 0.00747 0.00913 -0.00625 125 2S -0.39766 0.15012 0.03067 -0.21417 0.36024 126 2PX -0.15065 0.05269 -0.00030 0.14326 -0.00950 127 2PY 0.14602 -0.12004 0.09807 0.13300 -0.16693 128 2PZ 0.22992 -0.23802 0.21036 0.18831 -0.25245 129 3S 0.96568 -0.20465 -0.52227 0.49849 -0.83062 130 3PX 0.19158 0.11954 -0.26642 -0.34807 0.10316 131 3PY -0.39721 0.54156 -0.67980 -0.25468 0.45278 132 3PZ -0.42784 0.83708 -0.78714 -0.44513 0.59004 133 4XX -0.03890 0.01951 -0.02134 -0.02178 0.02825 134 4YY -0.01880 0.02145 -0.02187 -0.01307 0.01989 135 4ZZ -0.00337 0.00285 0.02031 0.01900 0.00557 136 4XY 0.02732 -0.00259 0.00115 0.04096 -0.04941 137 4XZ -0.00389 0.00811 0.00966 0.05607 -0.00380 138 4YZ 0.05370 -0.00744 0.01593 0.01934 -0.05177 139 18 H 1S 0.14568 -0.06586 0.15914 0.16408 -0.22134 140 2S -0.76083 0.78560 -0.70012 -0.68125 0.92287 141 19 O 1S -0.00655 -0.00311 0.00204 -0.00257 0.00884 142 2S 0.06971 0.01723 -0.01051 -0.22849 -0.02629 143 2PX 0.09028 -0.06275 0.00445 0.03036 -0.07705 144 2PY 0.07783 0.04309 -0.00058 -0.20592 -0.15545 145 2PZ -0.05051 0.08843 -0.01974 -0.09992 0.08491 146 3S -0.08854 0.10393 -0.19118 0.28755 -0.15887 147 3PX -0.06689 0.00307 0.08772 -0.16523 0.13346 148 3PY -0.21626 -0.11052 0.05317 0.26963 0.34765 149 3PZ 0.04544 -0.05066 0.02649 0.06649 -0.12719 150 4XX -0.00978 0.00662 -0.01070 -0.07688 -0.00317 151 4YY 0.06139 0.00887 -0.01523 -0.06124 -0.03348 152 4ZZ 0.00617 0.00341 0.01279 -0.09613 0.00735 153 4XY 0.01311 0.01401 -0.02014 0.03745 -0.00434 154 4XZ -0.02066 -0.00260 -0.01088 -0.01823 0.00749 155 4YZ -0.00500 -0.00709 -0.00358 0.03300 -0.01019 156 20 O 1S -0.00653 0.00314 -0.00206 -0.00257 0.00885 157 2S 0.06948 -0.01667 0.01171 -0.22845 -0.02622 158 2PX 0.09049 0.06244 -0.00426 0.03062 -0.07708 159 2PY -0.07765 0.04259 -0.00174 0.20598 0.15547 160 2PZ -0.05082 -0.08794 0.01990 -0.10023 0.08477 161 3S -0.08936 -0.10461 0.18977 0.28792 -0.15934 162 3PX -0.06650 -0.00244 -0.08734 -0.16580 0.13371 163 3PY 0.21569 -0.11014 0.05519 -0.26973 -0.34779 164 3PZ 0.04569 0.05039 -0.02654 0.06668 -0.12692 165 4XX -0.00988 -0.00634 0.01101 -0.07681 -0.00315 166 4YY 0.06129 -0.00883 0.01570 -0.06119 -0.03343 167 4ZZ 0.00614 -0.00312 -0.01239 -0.09619 0.00735 168 4XY -0.01300 0.01416 -0.02003 -0.03750 0.00433 169 4XZ -0.02072 0.00271 0.01087 -0.01817 0.00747 170 4YZ 0.00497 -0.00700 -0.00342 -0.03306 0.01019 171 21 C 1S 0.01456 -0.00001 0.00003 -0.00425 0.01178 172 2S -0.12035 0.00130 0.00152 -0.79109 -0.10203 173 2PX -0.00934 0.00035 0.00062 -0.27496 -0.06518 174 2PY -0.00007 -0.00341 0.00625 -0.00002 -0.00002 175 2PZ -0.20259 0.00057 -0.00001 -0.15277 -0.02887 176 3S 0.14926 -0.00323 -0.00427 2.08166 0.36146 177 3PX 0.20433 -0.00042 -0.00015 0.22278 -0.15392 178 3PY 0.00030 -0.00906 -0.06145 -0.00020 0.00007 179 3PZ 0.74335 -0.00132 0.00108 0.09588 -0.05860 180 4XX 0.05560 -0.00005 0.00014 -0.02242 -0.01677 181 4YY -0.05509 0.00012 -0.00001 -0.03575 0.01911 182 4ZZ -0.00945 0.00001 -0.00003 0.00220 0.02530 183 4XY 0.00002 0.01254 -0.00059 0.00002 -0.00001 184 4XZ 0.00030 -0.00003 -0.00003 0.01681 -0.01497 185 4YZ 0.00004 0.00489 -0.00418 0.00001 0.00000 186 22 H 1S 0.20610 -0.00048 -0.00007 0.16758 0.05320 187 2S -0.04237 0.00083 0.00142 -0.66475 -0.06499 188 23 H 1S 0.02058 -0.00035 -0.00056 0.23780 0.18577 189 2S -0.53210 0.00195 0.00087 -0.80029 -0.16637 101 102 103 104 105 V V V V V Eigenvalues -- 0.91950 0.95055 0.96228 0.97337 0.98560 1 1 C 1S -0.00330 -0.00177 -0.00183 -0.00021 0.01005 2 2S 0.29420 -0.23083 -0.13969 0.41412 0.47060 3 2PX -0.03949 -0.13866 0.05344 -0.02776 -0.07720 4 2PY 0.10515 -0.12478 0.19166 0.22529 -0.08760 5 2PZ 0.09029 -0.16169 -0.06443 -0.03412 0.06227 6 3S -0.45323 0.64490 0.56144 -1.29670 -1.99958 7 3PX 0.12647 0.22387 0.10709 0.43706 -0.07722 8 3PY 0.06257 0.26584 -1.00050 -1.98258 0.70337 9 3PZ -0.00076 0.24969 0.60252 1.16806 -0.52342 10 4XX 0.02940 -0.00713 -0.00574 0.01883 0.03156 11 4YY 0.04954 -0.02606 0.02119 0.03615 -0.00088 12 4ZZ -0.03563 0.00575 -0.02244 -0.00811 0.03679 13 4XY -0.03045 -0.01270 -0.01629 -0.00653 0.02414 14 4XZ -0.00681 0.00227 -0.02805 -0.02085 0.02835 15 4YZ -0.04626 0.02890 -0.00578 0.00985 0.03067 16 2 C 1S -0.00331 -0.00179 0.00183 0.00021 -0.01006 17 2S 0.29419 -0.23119 0.13988 -0.41437 -0.47089 18 2PX -0.03952 -0.13849 -0.05330 0.02775 0.07736 19 2PY -0.10539 0.12442 0.19154 0.22530 -0.08748 20 2PZ 0.09012 -0.16176 0.06451 0.03420 -0.06216 21 3S -0.45338 0.64647 -0.56223 1.29684 2.00158 22 3PX 0.12683 0.22411 -0.10743 -0.43737 0.07707 23 3PY -0.06141 -0.26332 -0.99992 -1.98215 0.70219 24 3PZ 0.00002 0.25084 -0.60278 -1.16852 0.52307 25 4XX 0.02942 -0.00715 0.00574 -0.01884 -0.03156 26 4YY 0.04954 -0.02601 -0.02118 -0.03618 0.00086 27 4ZZ -0.03566 0.00566 0.02246 0.00812 -0.03681 28 4XY 0.03045 0.01273 -0.01631 -0.00658 0.02418 29 4XZ -0.00680 0.00221 0.02803 0.02085 -0.02836 30 4YZ 0.04626 -0.02891 -0.00581 0.00982 0.03077 31 3 H 1S -0.28604 0.09432 -0.12564 -0.16339 0.17215 32 2S 0.34989 -0.49412 0.03150 0.39394 0.24623 33 4 H 1S -0.28606 0.09402 0.12562 0.16340 -0.17239 34 2S 0.34986 -0.49391 -0.03121 -0.39412 -0.24621 35 5 C 1S -0.00459 -0.00595 -0.00522 0.00838 0.01182 36 2S 0.31157 -0.30304 -0.01782 -0.16819 0.14278 37 2PX 0.04565 0.04959 0.03402 0.02371 -0.00377 38 2PY 0.38755 -0.27601 0.01886 -0.18974 0.04424 39 2PZ -0.07821 -0.00671 -0.04946 -0.27837 -0.21074 40 3S -0.66591 0.84144 0.48384 1.70526 -0.72972 41 3PX -0.17119 -0.21581 -0.16172 0.24408 0.21422 42 3PY -0.80608 0.34725 -0.13483 0.27409 -0.19117 43 3PZ -0.05441 -0.19742 0.54712 2.11761 0.57251 44 4XX -0.00385 -0.03729 -0.01880 -0.07710 -0.00583 45 4YY -0.02880 0.02239 -0.00614 0.01804 0.05915 46 4ZZ 0.08431 -0.03674 0.02270 0.07324 -0.02618 47 4XY -0.01546 0.00406 -0.05136 -0.04802 0.02977 48 4XZ -0.01146 -0.02587 -0.02629 0.02440 -0.00075 49 4YZ 0.01142 0.00126 0.01509 0.02647 -0.02530 50 6 H 1S -0.29953 0.18692 -0.04294 0.08070 0.08771 51 2S 0.93927 -0.59431 0.14560 -0.46000 -0.00263 52 7 C 1S -0.00458 -0.00595 0.00521 -0.00839 -0.01181 53 2S 0.31118 -0.30346 0.01757 0.16812 -0.14202 54 2PX 0.04568 0.04971 -0.03403 -0.02388 0.00367 55 2PY -0.38745 0.27622 0.01879 -0.18982 0.04386 56 2PZ -0.07852 -0.00677 0.04944 0.27829 0.21098 57 3S -0.66410 0.84401 -0.48327 -1.70562 0.72722 58 3PX -0.17139 -0.21616 0.16203 -0.24288 -0.21438 59 3PY 0.80634 -0.34729 -0.13466 0.27475 -0.19026 60 3PZ -0.05316 -0.19645 -0.54690 -2.11719 -0.57410 61 4XX -0.00389 -0.03733 0.01878 0.07709 0.00587 62 4YY -0.02877 0.02237 0.00611 -0.01802 -0.05912 63 4ZZ 0.08431 -0.03669 -0.02269 -0.07328 0.02621 64 4XY 0.01546 -0.00400 -0.05134 -0.04803 0.02973 65 4XZ -0.01148 -0.02587 0.02626 -0.02440 0.00076 66 4YZ -0.01147 -0.00129 0.01510 0.02650 -0.02536 67 8 H 1S -0.29930 0.18710 0.04277 -0.08072 -0.08778 68 2S 0.93897 -0.59476 -0.14557 0.45995 0.00371 69 9 C 1S 0.01139 0.00822 0.02506 -0.00752 0.00997 70 2S -0.21556 -0.39455 -0.70454 0.17384 -0.18433 71 2PX 0.15055 0.30679 0.20034 -0.03977 0.10941 72 2PY -0.00981 -0.19621 -0.21226 -0.01825 -0.17245 73 2PZ -0.17927 0.19506 0.25204 -0.08228 0.02673 74 3S 0.19472 0.80503 1.64282 0.02361 0.49300 75 3PX -0.39638 -0.58442 -0.11456 0.74135 -0.05481 76 3PY 0.03908 0.16858 0.43306 0.55971 0.90832 77 3PZ 0.22581 -0.31960 -0.75621 -0.12924 0.16221 78 4XX 0.03282 0.00013 0.02838 0.10917 -0.03235 79 4YY -0.04090 -0.07178 -0.04732 0.00703 -0.02114 80 4ZZ -0.01774 0.00949 -0.04866 -0.09483 0.03787 81 4XY 0.00981 -0.00393 -0.01981 -0.01477 -0.00559 82 4XZ -0.02102 -0.03071 -0.06520 0.03654 0.00149 83 4YZ -0.03208 -0.06580 -0.00839 0.02978 -0.01082 84 10 H 1S 0.15871 0.21082 0.54836 0.14291 0.07320 85 2S -0.47307 -0.66870 -0.93393 -0.00581 -0.35313 86 11 H 1S 0.10651 0.38383 0.32194 -0.45439 0.25621 87 2S 0.05718 -0.74678 -1.05366 0.37127 -0.51785 88 12 C 1S 0.01139 0.00822 -0.02506 0.00750 -0.00996 89 2S -0.21571 -0.39454 0.70387 -0.17497 0.18492 90 2PX 0.15062 0.30693 -0.19991 0.04007 -0.10965 91 2PY 0.00993 0.19606 -0.21203 -0.01807 -0.17255 92 2PZ -0.17901 0.19520 -0.25223 0.08229 -0.02702 93 3S 0.19518 0.80514 -1.64145 -0.02077 -0.49480 94 3PX -0.39662 -0.58498 0.11375 -0.74190 0.05495 95 3PY -0.03943 -0.16842 0.43239 0.55876 0.90878 96 3PZ 0.22446 -0.32076 0.75658 0.12962 -0.16146 97 4XX 0.03288 0.00028 -0.02845 -0.10919 0.03236 98 4YY -0.04094 -0.07184 0.04724 -0.00719 0.02123 99 4ZZ -0.01777 0.00942 0.04871 0.09481 -0.03787 100 4XY -0.00975 0.00398 -0.01983 -0.01477 -0.00559 101 4XZ -0.02099 -0.03071 0.06509 -0.03668 -0.00141 102 4YZ 0.03205 0.06573 -0.00837 0.02974 -0.01078 103 13 H 1S 0.10631 0.38332 -0.32168 0.45464 -0.25634 104 2S 0.05672 -0.74650 1.05321 -0.37200 0.51848 105 14 H 1S 0.15879 0.21103 -0.54812 -0.14273 -0.07332 106 2S -0.47331 -0.66952 0.93310 0.00471 0.35388 107 15 C 1S 0.00373 0.00231 -0.00986 -0.01328 0.00075 108 2S 0.12454 0.24967 -0.19009 0.04745 0.64305 109 2PX 0.09301 0.14991 0.04025 0.05857 -0.02050 110 2PY 0.03905 0.07764 0.07903 -0.05723 -0.05221 111 2PZ 0.04486 -0.06254 -0.08638 -0.00467 -0.26743 112 3S -0.18133 -0.67361 1.06256 -0.20001 -2.50809 113 3PX -0.15063 -0.30228 0.07899 -0.63767 -0.40858 114 3PY -0.08843 -0.29797 -0.66510 0.29468 0.62112 115 3PZ -0.02543 0.14400 0.52832 -0.19349 0.72090 116 4XX 0.02840 0.00519 0.00121 0.01167 0.00748 117 4YY -0.00142 0.00944 0.00904 -0.00977 -0.00054 118 4ZZ 0.00312 0.00927 -0.01370 -0.01904 0.02251 119 4XY 0.02313 -0.01129 0.01147 0.00043 -0.00696 120 4XZ 0.02628 0.01700 0.00276 0.01191 -0.01169 121 4YZ -0.01465 0.07993 0.00317 0.00802 0.01041 122 16 H 1S 0.01113 -0.15512 -0.05326 -0.17768 -0.18502 123 2S 0.05170 0.57734 0.43608 -0.10210 0.86925 124 17 C 1S 0.00372 0.00229 0.00986 0.01330 -0.00075 125 2S 0.12438 0.24899 0.19006 -0.04726 -0.64315 126 2PX 0.09302 0.15001 -0.04026 -0.05834 0.02029 127 2PY -0.03904 -0.07754 0.07899 -0.05723 -0.05201 128 2PZ 0.04484 -0.06228 0.08622 0.00497 0.26751 129 3S -0.18124 -0.67157 -1.06275 0.19967 2.50868 130 3PX -0.15110 -0.30280 -0.07891 0.63732 0.40908 131 3PY 0.08806 0.29798 -0.66501 0.29487 0.62046 132 3PZ -0.02583 0.14290 -0.52799 0.19289 -0.72119 133 4XX 0.02840 0.00516 -0.00122 -0.01167 -0.00745 134 4YY -0.00142 0.00939 -0.00905 0.00976 0.00058 135 4ZZ 0.00307 0.00925 0.01372 0.01909 -0.02259 136 4XY -0.02313 0.01129 0.01150 0.00042 -0.00699 137 4XZ 0.02625 0.01699 -0.00277 -0.01189 0.01167 138 4YZ 0.01464 -0.07991 0.00316 0.00796 0.01048 139 18 H 1S 0.01087 -0.15510 0.05323 0.17775 0.18506 140 2S 0.05153 0.57634 -0.43590 0.10190 -0.86989 141 19 O 1S 0.00305 0.00299 0.00211 -0.00135 0.00232 142 2S -0.07997 -0.08913 -0.10175 -0.19496 0.21937 143 2PX -0.11501 -0.02825 0.02000 -0.04362 -0.05854 144 2PY -0.15129 -0.10362 -0.08882 -0.23638 0.06538 145 2PZ 0.04846 -0.02427 -0.11107 0.14197 0.32029 146 3S 0.01587 0.16687 0.02010 0.54834 -0.29838 147 3PX 0.06908 -0.06690 0.10281 0.01618 -0.03479 148 3PY 0.27597 0.22105 0.18421 0.29846 -0.15372 149 3PZ -0.05883 0.03324 0.15991 -0.23860 -0.59657 150 4XX -0.03932 0.01369 -0.04768 -0.07271 0.10711 151 4YY -0.02898 -0.06248 -0.02843 -0.02161 0.07287 152 4ZZ -0.02121 -0.03370 -0.02371 -0.07957 0.03749 153 4XY 0.02843 -0.00123 -0.01336 0.00088 0.01076 154 4XZ 0.00959 0.01253 -0.00891 0.01057 0.01985 155 4YZ 0.01981 0.01954 -0.00567 0.00001 0.00772 156 20 O 1S 0.00305 0.00299 -0.00211 0.00136 -0.00233 157 2S -0.08006 -0.08948 0.10173 0.19487 -0.21926 158 2PX -0.11499 -0.02818 -0.02000 0.04358 0.05870 159 2PY 0.15137 0.10385 -0.08880 -0.23623 0.06515 160 2PZ 0.04850 -0.02444 0.11109 -0.14210 -0.32030 161 3S 0.01618 0.16761 -0.02008 -0.54813 0.29816 162 3PX 0.06898 -0.06701 -0.10280 -0.01628 0.03466 163 3PY -0.27599 -0.22135 0.18411 0.29823 -0.15324 164 3PZ -0.05889 0.03354 -0.16001 0.23875 0.59664 165 4XX -0.03937 0.01354 0.04768 0.07276 -0.10713 166 4YY -0.02902 -0.06258 0.02844 0.02153 -0.07281 167 4ZZ -0.02121 -0.03378 0.02369 0.07953 -0.03743 168 4XY -0.02841 0.00124 -0.01336 0.00089 0.01078 169 4XZ 0.00959 0.01251 0.00891 -0.01054 -0.01987 170 4YZ -0.01980 -0.01952 -0.00567 -0.00003 0.00775 171 21 C 1S -0.00175 -0.00921 0.00000 -0.00001 0.00001 172 2S -0.63059 -0.22682 0.00005 -0.00020 0.00011 173 2PX -0.31096 -0.18001 0.00005 -0.00015 0.00007 174 2PY 0.00000 -0.00004 0.05360 0.07028 -0.10994 175 2PZ -0.09730 0.10639 0.00001 -0.00010 -0.00007 176 3S 1.69453 0.75659 -0.00012 0.00069 -0.00037 177 3PX 0.24927 0.10163 -0.00006 0.00001 0.00002 178 3PY -0.00002 0.00004 -0.19179 -0.09735 0.42764 179 3PZ 0.02718 -0.62171 0.00002 0.00000 0.00030 180 4XX -0.03711 -0.07256 0.00001 -0.00007 0.00004 181 4YY -0.04325 0.02747 0.00001 0.00002 -0.00003 182 4ZZ 0.02589 0.02301 -0.00001 0.00004 0.00000 183 4XY 0.00001 0.00005 -0.02464 -0.05419 0.03409 184 4XZ -0.00286 0.00550 0.00001 0.00000 -0.00001 185 4YZ 0.00001 0.00000 0.00080 -0.03215 -0.04365 186 22 H 1S 0.18775 -0.03774 -0.00004 0.00004 0.00003 187 2S -0.64882 -0.38044 0.00008 -0.00015 0.00018 188 23 H 1S 0.30401 0.15585 -0.00003 0.00015 -0.00007 189 2S -0.72429 0.04719 0.00006 -0.00031 -0.00006 106 107 108 109 110 V V V V V Eigenvalues -- 1.01136 1.05344 1.07612 1.12043 1.12968 1 1 C 1S -0.01225 -0.01782 0.00088 -0.01792 -0.01862 2 2S -0.25311 -0.46976 0.26341 -0.57014 -0.57865 3 2PX -0.10740 -0.18211 0.03434 0.01027 0.01589 4 2PY 0.17230 -0.19593 -0.00220 -0.03412 0.08319 5 2PZ -0.16641 0.01377 -0.00165 0.08435 0.13581 6 3S 0.94607 1.63402 -1.27497 2.13130 1.08139 7 3PX 0.47132 0.43291 0.22152 -0.13429 -0.18811 8 3PY -1.85589 1.08496 -0.14363 0.46708 -0.22592 9 3PZ 1.14219 0.23233 0.57125 -0.77149 -0.74600 10 4XX 0.01241 0.01701 0.00577 0.01745 0.06985 11 4YY 0.01804 -0.01080 0.00338 -0.08727 -0.09304 12 4ZZ -0.06834 -0.06250 -0.00045 0.00406 -0.03713 13 4XY -0.00524 -0.08433 0.00273 0.00972 0.08909 14 4XZ -0.02141 -0.00019 0.01904 -0.01581 0.02457 15 4YZ 0.00001 -0.00550 0.00295 -0.06777 -0.03634 16 2 C 1S 0.01224 -0.01782 -0.00087 -0.01791 -0.01860 17 2S 0.25289 -0.46995 -0.26349 -0.56994 -0.57847 18 2PX 0.10724 -0.18207 -0.03420 0.01033 0.01569 19 2PY 0.17238 0.19598 -0.00234 0.03421 -0.08297 20 2PZ 0.16636 0.01388 0.00170 0.08444 0.13571 21 3S -0.94550 1.63485 1.27559 2.13043 1.08304 22 3PX -0.47114 0.43217 -0.22207 -0.13250 -0.18601 23 3PY -1.85610 -1.08547 -0.14290 -0.46833 0.22595 24 3PZ -1.14211 0.23003 -0.57223 -0.76863 -0.74281 25 4XX -0.01240 0.01707 -0.00579 0.01732 0.06962 26 4YY -0.01804 -0.01083 -0.00346 -0.08731 -0.09304 27 4ZZ 0.06831 -0.06253 0.00055 0.00420 -0.03690 28 4XY -0.00524 0.08431 0.00264 -0.00965 -0.08902 29 4XZ 0.02144 -0.00011 -0.01908 -0.01596 0.02434 30 4YZ -0.00004 0.00548 0.00302 0.06789 0.03651 31 3 H 1S -0.04809 -0.31595 -0.05788 0.01525 0.12062 32 2S -0.16513 -0.57651 0.00111 -0.07541 0.11725 33 4 H 1S 0.04793 -0.31544 0.05823 0.01390 0.11930 34 2S 0.16445 -0.57611 -0.00069 -0.07632 0.11621 35 5 C 1S -0.00566 -0.00338 -0.01649 0.00761 0.00631 36 2S -0.48266 -0.25506 -0.05799 0.61402 0.39054 37 2PX -0.10997 -0.03868 0.11565 0.14458 0.00043 38 2PY -0.04354 -0.00383 -0.04976 0.02630 0.04942 39 2PZ -0.08682 0.12290 -0.12833 0.13259 0.02103 40 3S 1.94297 0.18367 0.89513 -2.09864 -1.58429 41 3PX 0.27155 -0.33425 0.10011 -0.46046 0.15689 42 3PY 0.15634 -0.67633 -0.28419 0.41999 0.55101 43 3PZ 1.00299 -0.89414 0.71242 -1.01377 -0.01925 44 4XX 0.01334 -0.09741 -0.04938 0.03127 0.08626 45 4YY -0.08133 0.08020 0.01170 0.03429 -0.00412 46 4ZZ 0.02778 -0.01440 0.01839 -0.02011 -0.03888 47 4XY -0.02206 0.03290 0.01676 -0.00422 0.07005 48 4XZ -0.02108 -0.03603 0.00041 0.03592 0.01485 49 4YZ 0.00757 0.04070 -0.00563 -0.01073 -0.01088 50 6 H 1S -0.12894 0.35148 0.02036 -0.06639 -0.18956 51 2S -0.19417 -0.08098 -0.07406 0.23488 0.12714 52 7 C 1S 0.00565 -0.00337 0.01649 0.00760 0.00631 53 2S 0.48248 -0.25537 0.05899 0.61584 0.39244 54 2PX 0.10996 -0.03871 -0.11548 0.14500 0.00077 55 2PY -0.04361 0.00346 -0.04984 -0.02573 -0.04817 56 2PZ 0.08676 0.12288 0.12834 0.13267 0.02123 57 3S -1.94265 0.18274 -0.89763 -2.09988 -1.58467 58 3PX -0.27129 -0.33460 -0.10014 -0.46199 0.15476 59 3PY 0.15725 0.67695 -0.28512 -0.41955 -0.55433 60 3PZ -1.00302 -0.89487 -0.71284 -1.01357 -0.01969 61 4XX -0.01343 -0.09735 0.04952 0.03099 0.08605 62 4YY 0.08137 0.08018 -0.01176 0.03453 -0.00399 63 4ZZ -0.02777 -0.01446 -0.01840 -0.01992 -0.03864 64 4XY -0.02207 -0.03289 0.01682 0.00434 -0.06983 65 4XZ 0.02106 -0.03612 -0.00030 0.03616 0.01521 66 4YZ 0.00760 -0.04068 -0.00557 0.01063 0.01078 67 8 H 1S 0.12908 0.35151 -0.02085 -0.06612 -0.19002 68 2S 0.19424 -0.08058 0.07451 0.23490 0.12573 69 9 C 1S -0.00787 0.00180 0.00038 0.00443 -0.00762 70 2S -0.10863 0.30120 -0.00430 0.02616 -0.13598 71 2PX 0.05116 -0.13020 0.00562 -0.11798 -0.08227 72 2PY 0.00833 0.01755 -0.04173 0.05593 0.02274 73 2PZ 0.03540 -0.17457 -0.06254 0.13868 0.18876 74 3S 0.60068 -1.23016 -0.09707 -0.30600 0.71367 75 3PX -0.08937 -0.17895 0.07266 0.32458 0.45971 76 3PY -0.06776 -0.11199 0.38068 -0.27702 0.07607 77 3PZ -0.25763 0.08661 0.09198 -0.17453 -0.23296 78 4XX 0.01776 0.03254 0.00946 0.00127 -0.04868 79 4YY -0.00186 0.04884 -0.00455 -0.00923 -0.02349 80 4ZZ -0.03097 -0.04392 -0.01447 0.01696 0.05318 81 4XY -0.00477 -0.02498 -0.00660 0.01106 -0.03061 82 4XZ -0.00642 0.06069 0.00497 -0.01927 0.02585 83 4YZ 0.01706 -0.09322 -0.00044 0.03593 0.06458 84 10 H 1S 0.00978 -0.14381 0.03372 0.06428 0.01608 85 2S -0.17989 0.22758 -0.11809 0.28356 0.22123 86 11 H 1S -0.11748 -0.15177 -0.03930 0.04296 -0.02163 87 2S -0.05256 0.45498 0.05952 -0.12417 -0.38607 88 12 C 1S 0.00786 0.00178 -0.00037 0.00454 -0.00747 89 2S 0.10838 0.30130 0.00399 0.02750 -0.13403 90 2PX -0.05111 -0.13008 -0.00560 -0.11863 -0.08298 91 2PY 0.00834 -0.01769 -0.04183 -0.05595 -0.02284 92 2PZ -0.03568 -0.17466 0.06277 0.13846 0.18883 93 3S -0.60043 -1.23046 0.09790 -0.31123 0.70791 94 3PX 0.08906 -0.17965 -0.07225 0.32809 0.46421 95 3PY -0.06800 0.11273 0.38104 0.27668 -0.07434 96 3PZ 0.25808 0.08636 -0.09181 -0.17405 -0.23305 97 4XX -0.01775 0.03250 -0.00950 0.00159 -0.04831 98 4YY 0.00182 0.04876 0.00448 -0.00916 -0.02333 99 4ZZ 0.03094 -0.04382 0.01454 0.01677 0.05296 100 4XY -0.00477 0.02492 -0.00667 -0.01106 0.03049 101 4XZ 0.00640 0.06072 -0.00510 -0.01926 0.02583 102 4YZ 0.01709 0.09331 -0.00060 -0.03600 -0.06472 103 13 H 1S 0.11742 -0.15210 0.03957 0.04294 -0.02151 104 2S 0.05294 0.45557 -0.05997 -0.12280 -0.38431 105 14 H 1S -0.00983 -0.14398 -0.03347 0.06532 0.01757 106 2S 0.17956 0.22751 0.11809 0.28519 0.22364 107 15 C 1S -0.01204 0.01974 0.00238 -0.01325 0.01073 108 2S -0.49388 0.16935 0.42430 0.10410 0.37471 109 2PX 0.01269 0.02767 -0.16506 -0.02588 -0.09687 110 2PY -0.02557 -0.15417 -0.10206 0.06278 -0.04443 111 2PZ 0.01022 0.23000 0.07955 0.09295 0.07961 112 3S 0.69177 0.09587 -2.26596 -0.03570 -0.17528 113 3PX -0.42235 0.08964 -0.12826 0.23937 0.05558 114 3PY 0.10884 0.35156 1.61219 -0.26013 0.35133 115 3PZ -0.65486 -0.37907 -1.17928 0.03024 -0.13939 116 4XX -0.05502 0.03044 0.06576 -0.09501 0.00104 117 4YY -0.01490 0.03874 -0.01315 0.00415 0.05311 118 4ZZ -0.04770 -0.03895 -0.05613 0.06798 -0.02843 119 4XY -0.00480 0.04595 0.03777 0.06906 0.03425 120 4XZ -0.09753 -0.00820 -0.02847 0.02206 0.02318 121 4YZ 0.02185 -0.01030 0.03330 -0.02446 0.07062 122 16 H 1S -0.13609 0.12865 -0.39385 0.13635 -0.11655 123 2S -0.41755 -0.44659 -0.30513 -0.03854 0.04113 124 17 C 1S 0.01206 0.01974 -0.00242 -0.01327 0.01070 125 2S 0.49414 0.16863 -0.42453 0.10576 0.37617 126 2PX -0.01265 0.02783 0.16507 -0.02657 -0.09764 127 2PY -0.02545 0.15426 -0.10230 -0.06192 0.04525 128 2PZ -0.00994 0.22989 -0.07962 0.09278 0.07922 129 3S -0.69179 0.09744 2.26612 -0.04327 -0.17966 130 3PX 0.42232 0.08923 0.12833 0.24096 0.05903 131 3PY 0.10871 -0.35113 1.61306 0.25445 -0.35465 132 3PZ 0.65447 -0.37856 1.17941 0.03186 -0.13439 133 4XX 0.05501 0.03032 -0.06588 -0.09509 0.00080 134 4YY 0.01494 0.03872 0.01310 0.00412 0.05309 135 4ZZ 0.04770 -0.03892 0.05625 0.06808 -0.02812 136 4XY -0.00482 -0.04591 0.03775 -0.06911 -0.03421 137 4XZ 0.09753 -0.00824 0.02847 0.02210 0.02333 138 4YZ 0.02187 0.01032 0.03334 0.02461 -0.07042 139 18 H 1S 0.13624 0.12900 0.39393 0.13687 -0.11502 140 2S 0.41714 -0.44710 0.30539 -0.03897 0.04165 141 19 O 1S -0.01097 0.00404 0.00323 0.00409 0.00960 142 2S 0.21434 0.13383 0.26001 -0.02712 0.20280 143 2PX 0.08253 -0.13818 0.24242 0.17321 -0.12443 144 2PY 0.31262 -0.04459 0.12061 -0.28206 0.23591 145 2PZ 0.23537 0.04121 -0.32225 -0.12909 -0.05359 146 3S -0.27888 -0.21641 -0.26763 0.14248 -0.58478 147 3PX -0.35642 0.13204 -0.57850 -0.22568 0.11788 148 3PY -0.54147 -0.01233 -0.33985 0.45952 -0.36128 149 3PZ -0.39155 0.02135 0.40844 0.32233 0.16151 150 4XX 0.10174 0.05191 0.01138 0.00713 0.13806 151 4YY -0.00612 -0.00951 0.06242 0.02030 -0.06406 152 4ZZ 0.09345 0.06536 0.15913 -0.07789 0.11544 153 4XY -0.02738 -0.03283 -0.01445 -0.04615 -0.01562 154 4XZ -0.03501 0.03616 0.11675 0.02198 0.01783 155 4YZ -0.01413 0.00336 -0.02745 0.00970 -0.00045 156 20 O 1S 0.01097 0.00403 -0.00323 0.00412 0.00964 157 2S -0.21421 0.13379 -0.26021 -0.02642 0.20338 158 2PX -0.08264 -0.13831 -0.24210 0.17364 -0.12432 159 2PY 0.31262 0.04450 0.12095 0.28129 -0.23674 160 2PZ -0.23543 0.04187 0.32195 -0.12922 -0.05338 161 3S 0.27856 -0.21642 0.26797 0.14006 -0.58809 162 3PX 0.35646 0.13211 0.57820 -0.22607 0.11870 163 3PY -0.54146 0.01247 -0.34044 -0.45794 0.36272 164 3PZ 0.39176 0.02035 -0.40786 0.32258 0.16151 165 4XX -0.10167 0.05200 -0.01142 0.00738 0.13841 166 4YY 0.00610 -0.00956 -0.06242 0.02045 -0.06393 167 4ZZ -0.09339 0.06528 -0.15927 -0.07762 0.11555 168 4XY -0.02734 0.03286 -0.01446 0.04614 0.01557 169 4XZ 0.03505 0.03599 -0.11676 0.02196 0.01760 170 4YZ -0.01417 -0.00336 -0.02750 -0.00963 0.00056 171 21 C 1S -0.00001 -0.00529 0.00003 0.05232 -0.05102 172 2S -0.00017 -0.08714 0.00045 0.81767 -0.78642 173 2PX -0.00017 -0.22102 0.00000 -0.16841 -0.10884 174 2PY -0.16923 0.00002 -0.12321 0.00024 0.00018 175 2PZ 0.00000 -0.07481 0.00011 0.07340 0.00844 176 3S 0.00057 0.40747 -0.00097 -1.40289 1.65110 177 3PX 0.00013 0.15079 0.00005 0.15911 0.25155 178 3PY 0.56975 -0.00012 0.52691 -0.00062 -0.00013 179 3PZ -0.00014 0.12843 -0.00044 -0.58040 -0.19246 180 4XX -0.00005 -0.08741 0.00005 0.02803 -0.20967 181 4YY 0.00000 0.02557 0.00010 0.10916 -0.00388 182 4ZZ 0.00002 0.02366 -0.00004 0.02927 0.03404 183 4XY 0.06239 -0.00005 -0.05644 -0.00004 -0.00015 184 4XZ -0.00003 -0.04283 0.00007 0.07601 -0.09108 185 4YZ -0.02628 0.00013 0.19718 -0.00008 0.00007 186 22 H 1S 0.00009 0.14560 -0.00002 0.09505 -0.08860 187 2S -0.00027 -0.23306 0.00015 0.08079 -0.55437 188 23 H 1S 0.00007 0.09885 0.00006 0.20899 0.00245 189 2S -0.00018 -0.27753 0.00040 0.53716 -0.37981 111 112 113 114 115 V V V V V Eigenvalues -- 1.14032 1.14811 1.19962 1.20299 1.25152 1 1 C 1S 0.00076 0.01037 -0.00784 0.01092 0.00997 2 2S 0.12035 0.38248 -0.00123 0.34166 0.07752 3 2PX 0.04002 0.06526 0.01266 -0.12718 -0.09260 4 2PY 0.04143 0.05396 -0.03330 -0.07509 -0.02312 5 2PZ 0.00567 0.00933 -0.02666 -0.15341 -0.07795 6 3S -0.77097 -1.15848 0.17756 0.03784 -0.64626 7 3PX -0.52508 0.06284 0.14272 0.26634 0.17497 8 3PY -0.20985 -0.16310 0.29412 -0.74033 -0.15704 9 3PZ -0.72168 0.39519 0.21840 0.98407 0.52200 10 4XX 0.04342 -0.01561 -0.00091 -0.03699 -0.03397 11 4YY 0.00527 0.04673 0.01646 0.01086 0.04268 12 4ZZ -0.02906 0.01736 -0.03722 0.06275 0.01598 13 4XY 0.02922 -0.05034 -0.01012 0.01462 0.14154 14 4XZ 0.05653 0.00739 0.07814 -0.00993 0.02799 15 4YZ 0.04882 0.05250 -0.00994 -0.03746 -0.00606 16 2 C 1S -0.00067 0.01034 -0.00807 -0.01074 0.00992 17 2S -0.11734 0.38156 -0.00844 -0.34107 0.07643 18 2PX -0.04048 0.06492 0.01535 0.12723 -0.09272 19 2PY 0.04211 -0.05378 0.03171 -0.07609 0.02300 20 2PZ -0.00675 0.00907 -0.02345 0.15404 -0.07788 21 3S 0.76509 -1.15324 0.17719 -0.04336 -0.64570 22 3PX 0.52652 0.06546 0.13637 -0.26984 0.17661 23 3PY -0.21155 0.16317 -0.30798 -0.73254 0.15596 24 3PZ 0.72641 0.39958 0.19674 -0.98919 0.52372 25 4XX -0.04372 -0.01576 -0.00009 0.03708 -0.03390 26 4YY -0.00472 0.04671 0.01624 -0.01119 0.04270 27 4ZZ 0.02908 0.01739 -0.03856 -0.06203 0.01575 28 4XY 0.02957 0.05044 0.01036 0.01461 -0.14148 29 4XZ -0.05650 0.00717 0.07843 0.00843 0.02788 30 4YZ 0.04868 -0.05226 0.00911 -0.03771 0.00607 31 3 H 1S 0.36961 -0.06982 -0.13208 -0.06435 -0.01836 32 2S 0.32679 0.13783 -0.18870 -0.21394 -0.26553 33 4 H 1S -0.37024 -0.07151 -0.13012 0.06738 -0.01905 34 2S -0.32824 0.13574 -0.18372 0.21881 -0.26652 35 5 C 1S 0.00036 -0.03050 0.00056 -0.01808 -0.02269 36 2S -0.48380 -0.55226 0.17668 -0.14965 -0.44878 37 2PX -0.09386 0.03397 0.12315 -0.06468 -0.09826 38 2PY 0.23590 0.11157 0.12559 -0.37919 -0.02499 39 2PZ -0.07312 0.00451 -0.05068 0.04374 0.00610 40 3S 0.31337 2.12537 -0.56645 1.71533 0.84823 41 3PX 0.57942 -0.31664 -0.05174 0.53618 0.73415 42 3PY -0.44916 -0.56005 -0.55303 1.79416 0.18784 43 3PZ 0.25095 -0.07763 0.14634 -0.07717 0.55754 44 4XX 0.05117 -0.02264 -0.10446 0.06390 -0.02814 45 4YY -0.04496 -0.03283 0.08539 -0.13691 -0.00663 46 4ZZ -0.04496 -0.00938 0.01655 0.02783 -0.03852 47 4XY 0.04805 -0.02070 0.06513 -0.00140 -0.01034 48 4XZ -0.07625 -0.04140 -0.01743 0.07271 0.04168 49 4YZ -0.02982 -0.00383 0.00134 -0.06611 -0.02962 50 6 H 1S 0.02373 -0.10213 0.10932 -0.54382 -0.11387 51 2S 0.16212 0.03476 0.27001 -0.85550 -0.30994 52 7 C 1S -0.00033 -0.03051 0.00091 0.01806 -0.02269 53 2S 0.48221 -0.55058 0.17907 0.14603 -0.44887 54 2PX 0.09348 0.03418 0.12435 0.06226 -0.09819 55 2PY 0.23648 -0.11045 -0.13354 -0.37651 0.02444 56 2PZ 0.07266 0.00479 -0.05181 -0.04294 0.00612 57 3S -0.30744 2.12529 -0.60099 -1.70173 0.84821 58 3PX -0.57820 -0.31766 -0.06214 -0.53595 0.73315 59 3PY -0.44659 0.55736 0.58978 1.78202 -0.18404 60 3PZ -0.24894 -0.07854 0.14888 0.07497 0.55827 61 4XX -0.05170 -0.02273 -0.10567 -0.06170 -0.02831 62 4YY 0.04502 -0.03279 0.08811 0.13503 -0.00644 63 4ZZ 0.04528 -0.00922 0.01591 -0.02806 -0.03848 64 4XY 0.04819 0.02081 -0.06524 -0.00009 0.01034 65 4XZ 0.07614 -0.04108 -0.01907 -0.07248 0.04154 66 4YZ -0.02992 0.00378 -0.00265 -0.06604 0.02945 67 8 H 1S -0.02228 -0.10257 0.12041 0.54118 -0.11288 68 2S -0.16322 0.03367 0.28746 0.84971 -0.30839 69 9 C 1S -0.03034 0.02178 -0.02585 -0.01252 -0.04972 70 2S -0.35314 0.37134 -0.41465 -0.14429 -1.01099 71 2PX 0.15385 -0.12435 -0.09928 0.16956 -0.18901 72 2PY 0.00279 0.04700 0.01490 -0.05204 0.10141 73 2PZ -0.02941 -0.01099 -0.02766 0.02022 -0.03537 74 3S 1.22227 -1.52625 0.96971 1.45272 2.08034 75 3PX -0.84742 -0.03331 0.07083 -0.71379 0.42232 76 3PY 0.28656 -0.37025 0.30916 -1.11373 0.20633 77 3PZ 0.19369 -0.30398 -0.09075 0.40892 0.15232 78 4XX -0.08613 0.00650 0.00506 -0.07624 -0.05037 79 4YY -0.01134 0.03130 -0.03820 0.01776 -0.08257 80 4ZZ 0.04014 0.02228 -0.03320 0.04619 -0.02749 81 4XY -0.01938 -0.07483 -0.03696 0.05628 0.01044 82 4XZ -0.00153 -0.01793 0.08422 0.00319 -0.03985 83 4YZ -0.01226 -0.01891 -0.10084 0.04735 0.05645 84 10 H 1S -0.29820 0.06854 -0.17967 -0.11249 -0.17688 85 2S -0.48554 0.29108 -0.07143 -0.24600 -0.14694 86 11 H 1S -0.00743 0.05961 -0.11661 0.17056 -0.16686 87 2S -0.29327 0.16093 -0.32486 0.09378 -0.35628 88 12 C 1S 0.03028 0.02188 -0.02560 0.01314 -0.04969 89 2S 0.35221 0.37238 -0.41173 0.15464 -1.01090 90 2PX -0.15265 -0.12476 -0.10265 -0.16747 -0.18930 91 2PY 0.00318 -0.04695 -0.01597 -0.05168 -0.10152 92 2PZ 0.02778 -0.01104 -0.02802 -0.01942 -0.03567 93 3S -1.21981 -1.52931 0.94044 -1.47621 2.07755 94 3PX 0.84387 -0.03111 0.08545 0.71275 0.42323 95 3PY 0.28527 0.37192 -0.33240 -1.10608 -0.20815 96 3PZ -0.19019 -0.30331 -0.09975 -0.40842 0.15195 97 4XX 0.08634 0.00668 0.00651 0.07625 -0.05022 98 4YY 0.01135 0.03135 -0.03865 -0.01684 -0.08256 99 4ZZ -0.04054 0.02223 -0.03395 -0.04546 -0.02766 100 4XY -0.01965 0.07471 0.03806 0.05553 -0.01027 101 4XZ 0.00164 -0.01787 0.08416 -0.00477 -0.03987 102 4YZ -0.01177 0.01887 0.10183 0.04544 -0.05642 103 13 H 1S 0.00725 0.05994 -0.12015 -0.16796 -0.16709 104 2S 0.29529 0.16221 -0.32730 -0.08678 -0.35623 105 14 H 1S 0.29765 0.06931 -0.17735 0.11658 -0.17672 106 2S 0.48225 0.29248 -0.06661 0.24838 -0.14663 107 15 C 1S 0.00515 0.01875 0.00865 0.00213 0.01884 108 2S -0.37021 0.18673 0.42814 0.14828 0.48304 109 2PX 0.17558 -0.00985 -0.16662 -0.05853 -0.21614 110 2PY 0.20095 -0.00301 -0.01831 0.12793 0.09732 111 2PZ 0.08588 0.00365 -0.07365 0.13195 -0.01921 112 3S 1.25882 0.02099 -1.10849 0.61783 -0.80802 113 3PX -0.79019 0.43402 -0.21325 0.25630 0.69546 114 3PY -0.93725 0.09472 -0.00818 -0.78012 -0.39737 115 3PZ -1.11314 0.10220 -0.26678 -0.28319 0.27208 116 4XX 0.05003 0.04596 0.02251 0.01336 0.10466 117 4YY -0.00078 0.00136 0.08784 0.00795 0.00859 118 4ZZ -0.06053 0.03074 -0.11411 0.01208 -0.03665 119 4XY 0.00063 -0.06569 -0.11816 -0.02116 0.03193 120 4XZ -0.03241 0.00397 0.05443 0.05113 -0.01884 121 4YZ 0.05410 0.11576 -0.00860 0.02865 -0.08204 122 16 H 1S -0.34221 0.03341 -0.18032 -0.03699 0.08931 123 2S -0.10182 0.12933 0.30022 0.13277 0.52885 124 17 C 1S -0.00521 0.01875 0.00863 -0.00232 0.01886 125 2S 0.36815 0.18841 0.42514 -0.15748 0.48281 126 2PX -0.17531 -0.01042 -0.16526 0.06206 -0.21587 127 2PY 0.20092 0.00355 0.02073 0.12763 -0.09724 128 2PZ -0.08662 0.00367 -0.07631 -0.13061 -0.01918 129 3S -1.25874 0.01559 -1.12153 -0.59369 -0.80950 130 3PX 0.78794 0.43577 -0.21885 -0.25226 0.69390 131 3PY -0.93615 -0.09792 -0.00785 -0.78105 0.39613 132 3PZ 1.11338 0.10408 -0.26142 0.28883 0.27088 133 4XX -0.04982 0.04587 0.02230 -0.01386 0.10479 134 4YY 0.00062 0.00133 0.08766 -0.00977 0.00860 135 4ZZ 0.06022 0.03091 -0.11435 -0.00970 -0.03683 136 4XY 0.00082 0.06572 0.11770 -0.02353 -0.03196 137 4XZ 0.03221 0.00413 0.05336 -0.05223 -0.01889 138 4YZ 0.05477 -0.11561 0.00910 0.02828 0.08205 139 18 H 1S 0.34201 0.03416 -0.17967 0.04040 0.08904 140 2S 0.10151 0.12924 0.29764 -0.13918 0.52816 141 19 O 1S -0.00899 0.01450 -0.01740 0.00174 -0.00469 142 2S -0.11432 0.20071 -0.30266 0.06322 0.07041 143 2PX -0.03301 0.04153 0.33768 -0.15819 -0.16418 144 2PY -0.19448 0.02478 0.04918 -0.05783 -0.05312 145 2PZ -0.02436 -0.47689 -0.02135 -0.03016 -0.05155 146 3S 0.70905 -0.59077 0.72208 0.02141 0.08690 147 3PX -0.18281 0.04958 -0.87859 0.28262 0.39559 148 3PY 0.34210 0.01349 -0.07722 0.17366 0.05104 149 3PZ -0.03834 0.90224 -0.09469 0.13837 0.15853 150 4XX -0.07175 0.10872 -0.13971 0.02936 -0.05564 151 4YY -0.02404 0.02561 -0.03859 0.02748 0.05012 152 4ZZ -0.02306 0.04178 -0.07921 -0.01786 0.02732 153 4XY -0.01204 -0.05389 0.00820 0.02293 0.00481 154 4XZ 0.04912 0.00478 -0.04064 0.03575 0.03433 155 4YZ 0.01623 0.09887 0.05360 0.03832 0.03915 156 20 O 1S 0.00887 0.01452 -0.01743 -0.00136 -0.00471 157 2S 0.11265 0.20103 -0.30381 -0.05695 0.07018 158 2PX 0.03302 0.04151 0.34065 0.15140 -0.16408 159 2PY -0.19440 -0.02533 -0.05027 -0.05722 0.05316 160 2PZ 0.02654 -0.47667 -0.02070 0.03028 -0.05137 161 3S -0.70440 -0.59214 0.72172 -0.03692 0.08805 162 3PX 0.18248 0.04999 -0.88395 -0.26469 0.39509 163 3PY 0.34244 -0.01244 0.08064 0.17273 -0.05092 164 3PZ 0.03375 0.90216 -0.09757 -0.13584 0.15806 165 4XX 0.07066 0.10889 -0.14027 -0.02632 -0.05581 166 4YY 0.02411 0.02567 -0.03913 -0.02678 0.05005 167 4ZZ 0.02265 0.04187 -0.07880 0.01952 0.02735 168 4XY -0.01244 0.05382 -0.00777 0.02308 -0.00476 169 4XZ -0.04931 0.00472 -0.04128 -0.03501 0.03436 170 4YZ 0.01654 -0.09883 -0.05284 0.03941 -0.03911 171 21 C 1S 0.00001 0.00540 -0.03739 0.00035 0.03727 172 2S 0.00014 0.08106 -0.59421 0.00550 0.59548 173 2PX 0.00062 -0.04535 0.08261 -0.00078 0.02465 174 2PY 0.08545 0.00009 0.00054 0.05380 0.00000 175 2PZ -0.00002 -0.04812 0.14547 -0.00146 -0.07809 176 3S -0.00077 -0.28501 1.68918 -0.01626 -1.71768 177 3PX -0.00089 0.17346 0.16494 -0.00154 0.00845 178 3PY -0.01205 -0.00008 -0.00293 -0.28551 -0.00008 179 3PZ 0.00192 -0.44289 -0.52657 0.00509 0.40248 180 4XX 0.00062 -0.12845 0.07268 -0.00086 0.05269 181 4YY -0.00023 0.02211 -0.06310 0.00063 -0.03781 182 4ZZ -0.00028 0.09973 -0.04303 0.00047 0.04174 183 4XY -0.06630 -0.00006 0.00015 0.01340 0.00003 184 4XZ 0.00005 0.03802 0.13928 -0.00146 0.00369 185 4YZ 0.02376 0.00003 -0.00005 -0.00208 0.00000 186 22 H 1S 0.00009 -0.07457 -0.30364 0.00292 0.18730 187 2S 0.00095 0.00482 -0.38822 0.00369 0.39036 188 23 H 1S -0.00068 0.20205 -0.14653 0.00149 0.08963 189 2S -0.00002 -0.00244 -0.04591 0.00033 0.07192 116 117 118 119 120 V V V V V Eigenvalues -- 1.28998 1.31433 1.32934 1.39992 1.41504 1 1 C 1S 0.03115 0.02922 0.00903 -0.00363 0.04953 2 2S 0.67304 0.56148 0.32214 0.03633 0.90310 3 2PX 0.18858 0.05164 0.03613 -0.05420 -0.12241 4 2PY -0.03637 0.05312 -0.07039 -0.06919 0.02581 5 2PZ 0.04541 -0.00432 -0.09301 0.00745 -0.07060 6 3S -1.59827 -2.59999 -0.33082 0.51720 -5.14003 7 3PX -1.06451 -0.21042 0.00256 0.16752 1.04439 8 3PY -0.11301 -0.12592 0.20066 0.53206 2.77110 9 3PZ -1.10928 0.28819 0.31114 0.08801 2.23199 10 4XX -0.05953 0.00891 -0.14620 -0.06626 -0.11379 11 4YY 0.01015 0.01266 0.05375 -0.02261 -0.01073 12 4ZZ 0.11226 0.03857 0.07473 0.10873 0.15347 13 4XY -0.00803 -0.00970 -0.00618 0.10972 -0.02308 14 4XZ 0.04927 0.01276 -0.05170 -0.19375 -0.16049 15 4YZ 0.04927 0.04446 -0.02245 -0.00909 0.01990 16 2 C 1S -0.03119 -0.02924 0.00914 -0.00343 -0.04954 17 2S -0.67371 -0.56129 0.32430 0.04002 -0.90272 18 2PX -0.18856 -0.05152 0.03627 -0.05461 0.12231 19 2PY -0.03632 0.05324 0.07032 0.06904 0.02610 20 2PZ -0.04528 0.00424 -0.09304 0.00724 0.07027 21 3S 1.60038 2.60061 -0.34041 0.49554 5.14227 22 3PX 1.06433 0.21044 0.00230 0.17146 -1.04326 23 3PY -0.11392 -0.12665 -0.20194 -0.54310 2.76991 24 3PZ 1.10825 -0.28806 0.31293 0.09685 -2.23100 25 4XX 0.05960 -0.00910 -0.14626 -0.06665 0.11371 26 4YY -0.01029 -0.01266 0.05377 -0.02262 0.01067 27 4ZZ -0.11228 -0.03846 0.07496 0.10928 -0.15332 28 4XY -0.00788 -0.00975 0.00629 -0.10957 -0.02375 29 4XZ -0.04929 -0.01285 -0.05170 -0.19436 0.16008 30 4YZ 0.04934 0.04455 0.02235 0.00898 0.02034 31 3 H 1S 0.44729 0.19587 -0.05036 -0.14813 -0.38552 32 2S 0.73909 0.30843 -0.06955 -0.15354 -0.72798 33 4 H 1S -0.44731 -0.19610 -0.05005 -0.14962 0.38523 34 2S -0.73895 -0.30859 -0.06905 -0.15630 0.72728 35 5 C 1S -0.00266 0.00526 0.01336 0.00484 0.00692 36 2S -0.03640 -0.26560 0.15265 0.06351 -0.12551 37 2PX 0.00635 -0.11117 0.03443 0.01706 -0.01380 38 2PY -0.04645 0.05513 -0.02077 0.03394 0.07710 39 2PZ -0.03069 -0.07823 -0.00740 0.02788 0.19215 40 3S -0.03476 0.98274 -0.49771 -0.11869 2.03252 41 3PX 0.15667 0.18329 0.03378 -0.40149 -0.52392 42 3PY 0.85783 -0.42997 -0.16287 -0.49927 -1.92293 43 3PZ 0.02048 0.94157 0.21851 -0.51204 -0.42174 44 4XX -0.02099 -0.00192 -0.06965 0.17008 0.04028 45 4YY -0.03067 0.01262 0.03477 0.01977 0.10287 46 4ZZ 0.03154 0.01543 0.02074 -0.18111 -0.09096 47 4XY -0.07053 -0.04550 -0.09535 -0.10090 -0.21622 48 4XZ 0.01307 -0.04319 0.06419 0.11969 0.06594 49 4YZ -0.02540 0.02118 -0.02056 -0.05685 -0.04080 50 6 H 1S -0.23803 0.03874 0.16167 0.15185 0.25671 51 2S -0.29037 -0.01298 0.04424 0.21423 0.48512 52 7 C 1S 0.00271 -0.00520 0.01338 0.00488 -0.00684 53 2S 0.03720 0.26640 0.15204 0.06306 0.12644 54 2PX -0.00624 0.11129 0.03423 0.01705 0.01399 55 2PY -0.04646 0.05496 0.02067 -0.03445 0.07732 56 2PZ 0.03070 0.07825 -0.00739 0.02860 -0.19220 57 3S 0.03188 -0.98564 -0.49432 -0.11153 -2.03480 58 3PX -0.15732 -0.18334 0.03408 -0.40309 0.52189 59 3PY 0.85782 -0.42873 0.16420 0.50801 -1.92228 60 3PZ -0.02072 -0.94153 0.22054 -0.51258 0.41961 61 4XX 0.02098 0.00185 -0.06974 0.17014 -0.03968 62 4YY 0.03077 -0.01250 0.03481 0.02020 -0.10292 63 4ZZ -0.03153 -0.01544 0.02083 -0.18139 0.09048 64 4XY -0.07055 -0.04542 0.09556 0.10164 -0.21598 65 4XZ -0.01309 0.04333 0.06414 0.12001 -0.06560 66 4YZ -0.02542 0.02121 0.02056 0.05704 -0.04060 67 8 H 1S 0.23831 -0.03825 0.16174 0.15313 -0.25587 68 2S 0.29067 0.01371 0.04425 0.21660 -0.48465 69 9 C 1S 0.00228 0.01042 -0.02366 0.01802 0.01167 70 2S 0.15659 0.22362 -0.47499 0.19967 0.13400 71 2PX -0.01320 -0.05941 -0.04655 0.11341 0.05508 72 2PY 0.01818 -0.01181 0.04042 -0.04606 -0.00473 73 2PZ 0.13759 0.03574 -0.06038 -0.09385 -0.16686 74 3S 0.07609 -0.78752 0.98381 -0.79833 -1.66600 75 3PX 0.33966 0.60498 0.12028 -0.40123 -1.03540 76 3PY -0.33706 0.56106 0.15427 -0.11320 0.09413 77 3PZ -0.32169 -0.25674 0.20585 0.07618 0.34509 78 4XX 0.05256 0.05318 0.02871 -0.14494 -0.09009 79 4YY 0.01899 0.00316 -0.02688 0.03303 0.00995 80 4ZZ -0.04479 -0.04359 -0.05742 0.12910 0.07476 81 4XY 0.03377 -0.02306 0.08180 -0.06328 -0.02819 82 4XZ -0.02049 -0.01888 -0.06607 -0.05434 -0.08543 83 4YZ 0.01572 0.00533 0.02216 0.16975 0.04810 84 10 H 1S 0.08410 0.14709 -0.10331 0.09557 -0.10422 85 2S 0.22159 0.20783 -0.16683 -0.15128 -0.24723 86 11 H 1S -0.02926 -0.07109 -0.08826 0.10174 0.19957 87 2S -0.03012 0.04818 -0.03599 0.18916 0.32948 88 12 C 1S -0.00226 -0.01046 -0.02368 0.01802 -0.01162 89 2S -0.15603 -0.22436 -0.47487 0.19950 -0.13339 90 2PX 0.01335 0.05941 -0.04667 0.11355 -0.05466 91 2PY 0.01835 -0.01181 -0.04035 0.04619 -0.00470 92 2PZ -0.13745 -0.03579 -0.06035 -0.09446 0.16655 93 3S -0.07677 0.78936 0.98309 -0.80278 1.66382 94 3PX -0.33968 -0.60504 0.12111 -0.40465 1.03428 95 3PY -0.33746 0.56027 -0.15510 0.11199 0.09504 96 3PZ 0.32112 0.25716 0.20519 0.07737 -0.34408 97 4XX -0.05251 -0.05321 0.02888 -0.14525 0.08947 98 4YY -0.01895 -0.00323 -0.02687 0.03324 -0.00983 99 4ZZ 0.04479 0.04360 -0.05762 0.12910 -0.07428 100 4XY 0.03367 -0.02316 -0.08171 0.06348 -0.02818 101 4XZ 0.02050 0.01877 -0.06615 -0.05469 0.08532 102 4YZ 0.01576 0.00518 -0.02222 -0.16995 0.04750 103 13 H 1S 0.02924 0.07097 -0.08849 0.10227 -0.19910 104 2S 0.03011 -0.04846 -0.03596 0.19000 -0.32869 105 14 H 1S -0.08403 -0.14731 -0.10320 0.09505 0.10457 106 2S -0.22142 -0.20812 -0.16649 -0.15240 0.24666 107 15 C 1S -0.02563 0.00955 -0.00970 -0.00081 -0.01115 108 2S -0.35295 -0.21786 -0.22733 -0.05448 -0.43113 109 2PX -0.03955 0.04223 0.06766 0.08503 0.15611 110 2PY -0.01688 0.00704 -0.03188 -0.04319 -0.06704 111 2PZ -0.11206 -0.13189 -0.10987 0.07900 -0.05173 112 3S 1.89843 0.80636 0.30143 0.11935 1.17331 113 3PX 0.59145 0.81543 0.07421 -0.22829 -0.18361 114 3PY -1.30727 0.56446 0.00448 0.15274 -0.37592 115 3PZ 0.67940 1.35625 0.26456 -0.22081 0.28027 116 4XX -0.12572 0.07884 -0.15452 0.20363 0.06958 117 4YY 0.01035 -0.00529 0.00760 0.02276 0.01296 118 4ZZ 0.09132 -0.00612 0.08740 -0.24557 -0.08070 119 4XY -0.02472 0.01126 0.24783 0.05571 -0.02194 120 4XZ -0.04609 0.02110 -0.11900 -0.01112 -0.06169 121 4YZ 0.00474 -0.00068 -0.02429 -0.07460 0.00683 122 16 H 1S 0.19121 0.11307 0.10653 -0.01385 0.02713 123 2S 0.28843 0.20165 0.01875 -0.17502 0.02172 124 17 C 1S 0.02561 -0.00957 -0.00971 -0.00084 0.01109 125 2S 0.35248 0.21744 -0.22830 -0.05593 0.43007 126 2PX 0.03976 -0.04210 0.06782 0.08558 -0.15553 127 2PY -0.01670 0.00722 0.03192 0.04355 -0.06698 128 2PZ 0.11208 0.13173 -0.11026 0.07870 0.05167 129 3S -1.89786 -0.80617 0.30501 0.12268 -1.17059 130 3PX -0.59238 -0.81604 0.07572 -0.22874 0.18330 131 3PY -1.30788 0.56388 -0.00420 -0.15212 -0.37677 132 3PZ -0.67960 -1.35650 0.26753 -0.21904 -0.27981 133 4XX 0.12547 -0.07915 -0.15443 0.20389 -0.06857 134 4YY -0.01032 0.00534 0.00759 0.02283 -0.01305 135 4ZZ -0.09124 0.00623 0.08739 -0.24589 0.07976 136 4XY -0.02507 0.01091 -0.24785 -0.05568 -0.02279 137 4XZ 0.04604 -0.02127 -0.11900 -0.01131 0.06137 138 4YZ 0.00479 -0.00068 0.02428 0.07454 0.00749 139 18 H 1S -0.19125 -0.11307 0.10678 -0.01363 -0.02729 140 2S -0.28903 -0.20187 0.01936 -0.17473 -0.02214 141 19 O 1S 0.01587 -0.00315 0.02311 0.00410 0.00572 142 2S 0.08193 -0.05085 0.16103 0.02975 0.03214 143 2PX 0.29768 -0.40057 0.13419 0.09161 0.05722 144 2PY -0.01106 0.20438 0.03451 0.00213 -0.00029 145 2PZ -0.07432 -0.22285 -0.06876 -0.01151 0.00954 146 3S -0.80787 -0.25241 -0.83223 -0.12372 -0.28251 147 3PX -0.54062 1.41925 -0.30966 -0.27683 -0.10530 148 3PY 0.26419 -0.56992 0.09606 0.04460 0.07867 149 3PZ 0.05167 0.70375 0.10734 0.09025 -0.02464 150 4XX 0.09921 -0.02066 0.20346 -0.15970 -0.04854 151 4YY 0.03532 -0.10570 -0.14801 0.01980 0.02459 152 4ZZ -0.03094 0.08119 0.14082 0.16691 0.06254 153 4XY -0.07212 0.05399 -0.10631 -0.07774 -0.06267 154 4XZ -0.09991 -0.01071 -0.03839 0.05986 -0.01859 155 4YZ 0.03419 -0.00592 -0.09219 0.11414 0.03467 156 20 O 1S -0.01587 0.00317 0.02313 0.00413 -0.00569 157 2S -0.08215 0.05076 0.16112 0.02996 -0.03189 158 2PX -0.29754 0.40086 0.13385 0.09181 -0.05704 159 2PY -0.01126 0.20423 -0.03485 -0.00221 -0.00039 160 2PZ 0.07470 0.22300 -0.06915 -0.01144 -0.00997 161 3S 0.80818 0.25196 -0.83375 -0.12519 0.28155 162 3PX 0.54014 -1.42017 -0.30798 -0.27709 0.10537 163 3PY 0.26459 -0.56994 -0.09535 -0.04469 0.07892 164 3PZ -0.05258 -0.70429 0.10848 0.09010 0.02632 165 4XX -0.09910 0.02092 0.20352 -0.15988 0.04783 166 4YY -0.03566 0.10532 -0.14809 0.01984 -0.02457 167 4ZZ 0.03107 -0.08102 0.14096 0.16727 -0.06158 168 4XY -0.07206 0.05409 0.10629 0.07798 -0.06225 169 4XZ 0.09983 0.01057 -0.03854 0.05976 0.01887 170 4YZ 0.03446 -0.00573 0.09227 -0.11413 0.03412 171 21 C 1S -0.00004 -0.00003 -0.02263 -0.01887 0.00001 172 2S -0.00062 -0.00063 -0.45103 -0.20939 0.00018 173 2PX 0.00002 -0.00004 -0.11651 -0.01168 -0.00006 174 2PY 0.06311 -0.20286 0.00015 0.00000 0.01399 175 2PZ -0.00002 0.00005 0.00354 0.00147 0.00002 176 3S 0.00140 0.00194 1.47809 0.84441 -0.00051 177 3PX 0.00000 -0.00006 0.16314 -0.00631 0.00053 178 3PY 0.55371 -1.22024 0.00052 -0.00040 0.18483 179 3PZ -0.00008 -0.00003 -0.36982 -0.17744 -0.00069 180 4XX -0.00013 -0.00015 -0.23553 0.00780 -0.00008 181 4YY 0.00004 0.00015 0.17131 -0.04019 -0.00009 182 4ZZ 0.00002 -0.00006 0.03099 0.03387 0.00019 183 4XY -0.03114 0.13707 -0.00008 0.00009 -0.02984 184 4XZ -0.00016 -0.00015 -0.13751 0.10839 0.00020 185 4YZ -0.13787 0.15997 -0.00009 -0.00002 -0.02511 186 22 H 1S -0.00015 -0.00019 -0.15801 -0.12179 -0.00012 187 2S -0.00028 -0.00041 -0.42776 -0.09755 -0.00013 188 23 H 1S -0.00009 -0.00009 -0.00090 -0.07495 0.00012 189 2S -0.00019 -0.00019 -0.13074 -0.10656 0.00014 121 122 123 124 125 V V V V V Eigenvalues -- 1.44140 1.46298 1.48673 1.53314 1.56387 1 1 C 1S -0.00264 0.00163 -0.00074 0.00377 -0.00230 2 2S -0.00489 -0.17435 -0.16657 -0.13216 0.11654 3 2PX -0.07819 0.07066 -0.03910 -0.04426 0.05907 4 2PY -0.04395 0.08792 0.00472 0.07033 -0.02261 5 2PZ 0.03093 0.13657 0.06153 0.19856 -0.01886 6 3S 0.37980 -0.40608 0.87365 -0.51881 0.51525 7 3PX 0.17783 -0.07234 -0.38923 -0.20630 -0.36307 8 3PY 0.41944 -0.51488 -0.28483 -0.59004 -0.27528 9 3PZ 0.15211 -0.20440 -0.87038 -0.27041 -0.38664 10 4XX -0.14206 -0.03456 -0.01583 -0.09030 -0.08194 11 4YY 0.01129 0.00710 -0.00376 -0.06489 -0.00013 12 4ZZ 0.14480 0.02644 0.04309 0.18500 0.05804 13 4XY 0.04862 0.24123 0.02035 -0.40922 0.02218 14 4XZ -0.18518 -0.06336 -0.10520 -0.04782 0.03183 15 4YZ 0.05616 -0.00899 0.02363 0.26789 -0.01053 16 2 C 1S -0.00274 0.00161 0.00073 0.00374 0.00229 17 2S -0.00661 -0.17455 0.16655 -0.13276 -0.11643 18 2PX -0.07795 0.07065 0.03918 -0.04427 -0.05914 19 2PY 0.04398 -0.08792 0.00472 -0.07032 -0.02244 20 2PZ 0.03108 0.13647 -0.06152 0.19852 0.01859 21 3S 0.38886 -0.40408 -0.87352 -0.51633 -0.51379 22 3PX 0.17616 -0.07226 0.38910 -0.20592 0.36345 23 3PY -0.41473 0.51510 -0.28525 0.59173 -0.27666 24 3PZ 0.14819 -0.20469 0.87026 -0.27016 0.38669 25 4XX -0.14181 -0.03457 0.01586 -0.08992 0.08208 26 4YY 0.01135 0.00719 0.00372 -0.06486 0.00011 27 4ZZ 0.14442 0.02635 -0.04310 0.18458 -0.05817 28 4XY -0.04854 -0.24119 0.02030 0.40932 0.02169 29 4XZ -0.18492 -0.06333 0.10527 -0.04753 -0.03193 30 4YZ -0.05613 0.00904 0.02364 -0.26787 -0.01007 31 3 H 1S -0.17154 0.07835 0.16835 0.07804 0.04448 32 2S -0.16525 0.23277 0.28847 0.28740 0.17308 33 4 H 1S -0.17098 0.07828 -0.16841 0.07801 -0.04457 34 2S -0.16398 0.23271 -0.28844 0.28736 -0.17357 35 5 C 1S -0.01078 -0.04231 0.00031 -0.01459 0.02195 36 2S -0.09075 -0.48622 -0.14057 -0.06202 0.41695 37 2PX -0.03345 -0.06896 -0.13450 -0.03965 0.07319 38 2PY 0.08533 -0.04505 -0.02386 -0.03540 -0.06145 39 2PZ 0.06358 0.06744 0.02454 0.01701 -0.04965 40 3S 0.16559 1.73992 -0.22186 0.14411 -1.51175 41 3PX -0.13948 -0.09174 0.04224 0.67326 0.29035 42 3PY -0.35265 0.33566 0.46206 0.53969 0.83454 43 3PZ -0.42367 -0.09719 -0.35548 0.51686 0.25096 44 4XX 0.04866 -0.13946 0.10995 -0.02544 -0.00826 45 4YY 0.08155 0.01967 -0.02671 -0.00016 -0.01443 46 4ZZ -0.14025 0.07050 -0.06689 0.01332 -0.00640 47 4XY -0.13870 -0.18348 -0.12798 -0.03950 0.08363 48 4XZ 0.10011 0.10626 0.06116 -0.05429 0.08725 49 4YZ -0.01127 0.16330 0.02031 -0.03379 -0.07279 50 6 H 1S -0.02384 -0.24018 -0.04472 -0.18976 -0.06529 51 2S 0.15854 -0.32266 -0.17369 -0.22260 -0.12564 52 7 C 1S -0.01078 -0.04231 -0.00030 -0.01463 -0.02187 53 2S -0.09035 -0.48600 0.14063 -0.06239 -0.41595 54 2PX -0.03339 -0.06886 0.13452 -0.03968 -0.07304 55 2PY -0.08532 0.04519 -0.02394 0.03549 -0.06153 56 2PZ 0.06318 0.06739 -0.02455 0.01699 0.04949 57 3S 0.16140 1.73961 0.22151 0.14577 1.50875 58 3PX -0.13882 -0.09203 -0.04239 0.67304 -0.29162 59 3PY 0.35019 -0.33666 0.46237 -0.54025 0.83562 60 3PZ -0.42247 -0.09823 0.35567 0.51671 -0.25116 61 4XX 0.04849 -0.13951 -0.10987 -0.02568 0.00832 62 4YY 0.08142 0.01968 0.02672 -0.00027 0.01452 63 4ZZ -0.14001 0.07053 0.06683 0.01366 0.00633 64 4XY 0.13830 0.18336 -0.12807 0.03937 0.08393 65 4XZ 0.10002 0.10618 -0.06128 -0.05454 -0.08707 66 4YZ 0.01120 -0.16332 0.02036 0.03359 -0.07284 67 8 H 1S -0.02405 -0.24042 0.04480 -0.18996 0.06593 68 2S 0.15807 -0.32296 0.17391 -0.22289 0.12643 69 9 C 1S 0.00349 0.03314 0.01575 -0.01339 -0.03623 70 2S -0.11491 0.38833 0.20397 -0.18006 -0.45624 71 2PX -0.07346 -0.02910 -0.01026 0.04535 0.07838 72 2PY 0.04554 -0.03214 0.00594 0.05137 -0.04419 73 2PZ -0.07020 0.03210 0.05658 0.09612 -0.00799 74 3S -0.30170 -1.21822 -0.51946 0.88632 2.30538 75 3PX -0.07165 -0.05353 0.12694 0.23097 -0.02757 76 3PY -0.16039 -0.32867 -0.15329 0.14668 -0.25769 77 3PZ 0.04758 -0.26539 -0.23778 0.04808 0.35584 78 4XX -0.05415 0.20150 0.01894 -0.00405 -0.06809 79 4YY 0.00675 0.03601 0.01410 0.05406 0.00583 80 4ZZ 0.05501 -0.19901 -0.00872 -0.05586 0.03922 81 4XY -0.08468 0.17017 0.01873 0.15781 0.02867 82 4XZ -0.03522 0.03485 -0.02766 -0.13539 0.05165 83 4YZ 0.06348 -0.19527 0.03714 0.05824 0.03325 84 10 H 1S -0.02745 0.16915 0.10070 -0.00150 -0.13354 85 2S 0.01987 0.16224 0.18069 -0.01111 -0.27959 86 11 H 1S 0.02563 0.12213 0.02460 -0.05462 -0.07916 87 2S 0.06306 0.09194 -0.00531 -0.14056 -0.19839 88 12 C 1S 0.00349 0.03315 -0.01575 -0.01332 0.03623 89 2S -0.11510 0.38859 -0.20387 -0.17921 0.45633 90 2PX -0.07368 -0.02901 0.01027 0.04525 -0.07825 91 2PY -0.04555 0.03211 0.00601 -0.05148 -0.04415 92 2PZ -0.06986 0.03214 -0.05652 0.09621 0.00777 93 3S -0.29939 -1.21867 0.51938 0.88326 -2.30572 94 3PX -0.06916 -0.05412 -0.12697 0.23116 0.02752 95 3PY 0.15993 0.32930 -0.15362 -0.14703 -0.25758 96 3PZ 0.04653 -0.26520 0.23742 0.04785 -0.35583 97 4XX -0.05387 0.20157 -0.01904 -0.00371 0.06820 98 4YY 0.00681 0.03572 -0.01412 0.05404 -0.00586 99 4ZZ 0.05470 -0.19878 0.00886 -0.05613 -0.03931 100 4XY 0.08471 -0.17020 0.01878 -0.15776 0.02858 101 4XZ -0.03505 0.03494 0.02767 -0.13540 -0.05156 102 4YZ -0.06339 0.19542 0.03710 -0.05805 0.03341 103 13 H 1S 0.02523 0.12228 -0.02463 -0.05436 0.07912 104 2S 0.06223 0.09205 0.00515 -0.14036 0.19874 105 14 H 1S -0.02720 0.16912 -0.10069 -0.00129 0.13362 106 2S 0.02060 0.16207 -0.18062 -0.01064 0.27934 107 15 C 1S 0.00937 0.01923 -0.00278 0.01315 -0.01258 108 2S 0.16024 0.27582 -0.12746 0.33375 0.03066 109 2PX -0.10314 -0.06925 0.01681 -0.10651 -0.04715 110 2PY -0.01882 -0.00384 -0.04228 0.03983 0.00241 111 2PZ 0.07022 0.06908 -0.05207 0.06972 -0.04362 112 3S -0.41242 -0.81500 1.20670 -0.77968 -0.89408 113 3PX 0.04828 -0.02200 0.33393 0.07925 -1.05680 114 3PY -0.07537 -0.27825 -0.99024 -0.31442 -0.25509 115 3PZ -0.12769 -0.24056 0.70334 -0.15217 -0.30013 116 4XX -0.18097 0.01180 -0.06920 0.01380 0.00245 117 4YY 0.04359 0.05876 0.01656 0.05111 0.00531 118 4ZZ 0.12278 -0.08190 0.08150 -0.09658 -0.08970 119 4XY -0.25747 -0.01954 0.04603 -0.00812 0.00873 120 4XZ 0.09086 -0.02203 -0.01311 0.01931 -0.01462 121 4YZ 0.20782 -0.03225 -0.03903 -0.04752 -0.03617 122 16 H 1S 0.06376 0.13120 0.18123 0.10258 0.01956 123 2S -0.01700 0.03508 0.29906 0.14001 0.07176 124 17 C 1S 0.00939 0.01922 0.00278 0.01316 0.01252 125 2S 0.16091 0.27598 0.12751 0.33374 -0.03182 126 2PX -0.10339 -0.06934 -0.01678 -0.10649 0.04731 127 2PY 0.01878 0.00385 -0.04223 -0.03987 0.00262 128 2PZ 0.07024 0.06908 0.05210 0.06977 0.04353 129 3S -0.41503 -0.81536 -1.20667 -0.77807 0.89750 130 3PX 0.04837 -0.02192 -0.33410 0.08053 1.05674 131 3PY 0.07387 0.27831 -0.99064 0.31480 -0.25646 132 3PZ -0.12789 -0.24084 -0.70341 -0.15214 0.30076 133 4XX -0.18110 0.01173 0.06920 0.01362 -0.00230 134 4YY 0.04351 0.05878 -0.01656 0.05112 -0.00545 135 4ZZ 0.12295 -0.08188 -0.08151 -0.09633 0.08973 136 4XY 0.25740 0.01955 0.04601 0.00814 0.00897 137 4XZ 0.09089 -0.02200 0.01317 0.01936 0.01457 138 4YZ -0.20775 0.03221 -0.03902 0.04740 -0.03641 139 18 H 1S 0.06372 0.13116 -0.18134 0.10248 -0.01988 140 2S -0.01715 0.03509 -0.29918 0.14003 -0.07252 141 19 O 1S -0.00033 0.00208 0.02341 0.00643 -0.05018 142 2S 0.02736 0.05448 0.35118 0.11920 -0.92111 143 2PX -0.00328 0.07246 0.02442 0.02796 0.09143 144 2PY -0.02780 -0.06620 -0.11357 -0.04304 0.15026 145 2PZ 0.10075 0.06324 0.09503 0.06292 0.11078 146 3S -0.09134 -0.14561 -1.13324 -0.30981 2.50908 147 3PX -0.10190 -0.45837 -0.01337 -0.28610 -0.39428 148 3PY 0.13786 0.28361 0.45096 0.26278 -0.50142 149 3PZ -0.37367 -0.27397 -0.29537 -0.23757 -0.52158 150 4XX 0.16975 -0.02407 0.02039 -0.02828 -0.35097 151 4YY 0.02404 -0.00744 0.17629 0.02904 -0.34560 152 4ZZ -0.18452 0.07013 0.08365 0.08715 0.02103 153 4XY 0.06181 -0.05492 0.10328 -0.04251 0.03621 154 4XZ -0.04303 0.02508 0.15568 0.04482 -0.13264 155 4YZ -0.10337 0.01746 -0.29796 0.03484 -0.18425 156 20 O 1S -0.00036 0.00208 -0.02343 0.00649 0.05016 157 2S 0.02698 0.05441 -0.35140 0.12030 0.92087 158 2PX -0.00347 0.07249 -0.02438 0.02789 -0.09167 159 2PY 0.02770 0.06620 -0.11364 0.04329 0.15001 160 2PZ 0.10074 0.06324 -0.09499 0.06276 -0.11105 161 3S -0.09007 -0.14540 1.13394 -0.31278 -2.50839 162 3PX -0.10134 -0.45857 0.01331 -0.28582 0.39565 163 3PY -0.13735 -0.28369 0.45128 -0.26364 -0.50013 164 3PZ -0.37358 -0.27397 0.29532 -0.23697 0.52266 165 4XX 0.16974 -0.02405 -0.02044 -0.02775 0.35099 166 4YY 0.02385 -0.00746 -0.17652 0.02947 0.34544 167 4ZZ -0.18465 0.07007 -0.08354 0.08702 -0.02108 168 4XY -0.06196 0.05492 0.10323 0.04251 0.03620 169 4XZ -0.04298 0.02501 -0.15575 0.04494 0.13255 170 4YZ 0.10342 -0.01746 -0.29791 -0.03494 -0.18438 171 21 C 1S -0.01050 -0.02737 0.00000 -0.02245 0.00005 172 2S -0.19019 -0.35419 -0.00002 -0.27264 0.00056 173 2PX 0.00545 -0.03563 0.00001 -0.01998 0.00006 174 2PY 0.00008 -0.00003 0.11155 -0.00010 -0.10502 175 2PZ -0.03036 -0.03288 0.00003 -0.03930 0.00003 176 3S 0.72233 1.57210 -0.00018 1.25973 -0.00257 177 3PX -0.29696 -0.24150 0.00015 -0.27738 0.00043 178 3PY 0.00047 -0.00002 0.38351 -0.00015 -0.20252 179 3PZ 0.30798 0.08601 -0.00020 0.16471 0.00009 180 4XX 0.03062 -0.01194 -0.00003 0.00892 -0.00003 181 4YY 0.05456 0.04022 0.00012 0.01872 0.00002 182 4ZZ -0.08915 -0.02025 -0.00009 -0.01475 -0.00003 183 4XY -0.00006 0.00000 -0.23553 -0.00001 -0.06823 184 4XZ -0.06494 0.01298 0.00005 0.01881 0.00000 185 4YZ -0.00008 0.00005 0.45730 0.00011 0.21558 186 22 H 1S 0.02381 -0.11254 -0.00003 -0.07449 0.00023 187 2S 0.02664 -0.10812 -0.00006 -0.02865 0.00021 188 23 H 1S -0.08103 -0.15985 0.00001 -0.15858 0.00025 189 2S -0.17373 -0.25744 0.00009 -0.22683 0.00027 126 127 128 129 130 V V V V V Eigenvalues -- 1.58414 1.62901 1.64403 1.67985 1.73242 1 1 C 1S -0.00056 0.02161 -0.02046 0.00961 -0.00544 2 2S 0.04651 0.48682 -0.38894 0.08393 -0.06772 3 2PX 0.03391 -0.00546 -0.01775 0.04117 0.06324 4 2PY -0.00404 -0.02629 0.00988 -0.02509 -0.09788 5 2PZ -0.00603 -0.11269 0.08262 -0.04937 0.11188 6 3S -0.10372 -2.72369 2.46896 -0.22248 0.02153 7 3PX -0.00385 0.85748 -0.57651 -0.06364 0.08549 8 3PY 0.06375 1.27681 -0.53917 0.09955 0.34387 9 3PZ 0.22016 1.93377 -1.67285 0.14779 0.18027 10 4XX 0.01867 0.01235 -0.10251 0.12545 0.09063 11 4YY 0.03279 0.00942 -0.01713 0.06437 -0.12723 12 4ZZ -0.05558 -0.05229 0.12341 -0.19009 0.04832 13 4XY 0.03330 -0.07354 0.08503 0.01830 0.08626 14 4XZ 0.10119 0.14811 -0.17396 0.11099 0.20219 15 4YZ 0.02201 -0.03319 0.02875 -0.09132 -0.02995 16 2 C 1S -0.00063 -0.02161 0.02047 0.00956 -0.00551 17 2S 0.04499 -0.48694 0.38913 0.08301 -0.06808 18 2PX 0.03390 0.00531 0.01785 0.04108 0.06339 19 2PY 0.00400 -0.02635 0.00998 0.02509 0.09799 20 2PZ -0.00575 0.11277 -0.08270 -0.04926 0.11174 21 3S -0.09576 2.72387 -2.46927 -0.21779 0.02812 22 3PX -0.00582 -0.85720 0.57644 -0.06417 0.08385 23 3PY -0.06105 1.27792 -0.54027 -0.09796 -0.34369 24 3PZ 0.21504 -1.93393 1.67344 0.14561 0.17540 25 4XX 0.01865 -0.01258 0.10266 0.12540 0.09064 26 4YY 0.03278 -0.00946 0.01720 0.06434 -0.12714 27 4ZZ -0.05550 0.05257 -0.12363 -0.18998 0.04826 28 4XY -0.03346 -0.07324 0.08477 -0.01847 -0.08616 29 4XZ 0.10083 -0.14845 0.17432 0.11076 0.20216 30 4YZ -0.02206 -0.03334 0.02889 0.09141 0.02983 31 3 H 1S -0.07023 -0.32718 0.15561 0.06274 -0.20933 32 2S -0.06548 -0.66263 0.41791 -0.04270 -0.09410 33 4 H 1S -0.06953 0.32732 -0.15579 0.06294 -0.20892 34 2S -0.06399 0.66279 -0.41822 -0.04217 -0.09296 35 5 C 1S -0.05604 0.00148 0.03654 0.02153 -0.01412 36 2S -0.71983 -0.05981 0.54458 0.14526 -0.12323 37 2PX -0.06376 0.06368 0.03485 0.07048 -0.00246 38 2PY -0.01490 0.02039 0.01496 0.02115 0.09608 39 2PZ 0.08772 0.10287 -0.06334 0.00066 -0.03728 40 3S 2.37256 1.38629 -3.02754 -0.58296 0.45688 41 3PX 0.06880 -0.14260 -0.02334 0.08795 -0.07045 42 3PY 0.03073 -1.04033 0.96391 -0.45721 -0.74486 43 3PZ -0.79566 0.09249 0.02256 0.20385 -0.02527 44 4XX 0.09323 -0.13622 0.09553 0.03004 0.01154 45 4YY -0.07405 0.01162 0.06441 -0.09226 0.01317 46 4ZZ -0.07251 0.14089 -0.16998 0.09682 -0.03435 47 4XY 0.16176 0.11929 -0.11171 0.02574 -0.08332 48 4XZ -0.06455 -0.16385 0.22848 -0.04376 -0.05367 49 4YZ -0.11115 -0.04828 -0.01804 0.06215 -0.16059 50 6 H 1S -0.29123 0.08848 0.05402 0.24690 0.06026 51 2S -0.27504 0.25808 -0.03597 0.25997 0.32729 52 7 C 1S -0.05601 -0.00145 -0.03661 0.02156 -0.01399 53 2S -0.71923 0.06046 -0.54551 0.14573 -0.12108 54 2PX -0.06390 -0.06372 -0.03484 0.07049 -0.00268 55 2PY 0.01492 0.02056 0.01486 -0.02123 -0.09549 56 2PZ 0.08741 -0.10294 0.06338 0.00057 -0.03795 57 3S 2.36782 -1.38808 3.03065 -0.58631 0.45212 58 3PX 0.06886 0.14277 0.02337 0.08802 -0.07205 59 3PY -0.03283 -1.04142 0.96497 0.45609 0.74159 60 3PZ -0.79628 -0.09215 -0.02328 0.20405 -0.02785 61 4XX 0.09356 0.13608 -0.09528 0.03002 0.01178 62 4YY -0.07408 -0.01152 -0.06456 -0.09213 0.01319 63 4ZZ -0.07280 -0.14084 0.16985 0.09670 -0.03442 64 4XY -0.16149 0.11963 -0.11198 -0.02546 0.08312 65 4XZ -0.06417 0.16407 -0.22873 -0.04350 -0.05365 66 4YZ 0.11101 -0.04834 -0.01792 -0.06243 0.16030 67 8 H 1S -0.29128 -0.08851 -0.05412 0.24699 0.05989 68 2S -0.27537 -0.25833 0.03611 0.25995 0.32659 69 9 C 1S 0.02929 -0.01379 -0.03127 -0.01081 0.01241 70 2S 0.34014 -0.17108 -0.39372 -0.13418 0.14129 71 2PX -0.06272 0.00322 0.01374 0.00119 0.05901 72 2PY -0.00889 0.01637 -0.02872 -0.06732 0.04605 73 2PZ -0.01454 -0.08035 0.02472 0.02397 0.07930 74 3S -1.52443 -0.04291 2.13432 0.55959 -0.48642 75 3PX -0.34087 -0.52579 0.51488 0.03079 -0.18243 76 3PY -0.44527 0.04211 -0.31625 0.34560 -0.00261 77 3PZ -0.20541 0.32654 0.07610 0.02744 -0.27877 78 4XX -0.11335 -0.01152 -0.02955 -0.00076 -0.07466 79 4YY 0.00905 -0.01778 0.01851 -0.03733 0.19549 80 4ZZ 0.14078 0.01789 0.00731 0.02379 -0.11011 81 4XY -0.23740 -0.01237 0.01319 0.14304 0.13319 82 4XZ 0.04408 -0.03703 0.03745 -0.11665 -0.20826 83 4YZ 0.02295 -0.05959 0.10134 0.19880 0.05973 84 10 H 1S 0.06000 -0.18498 -0.02859 -0.06293 0.06002 85 2S 0.15995 -0.21082 -0.03007 -0.07886 0.02381 86 11 H 1S 0.14521 0.03897 -0.18394 -0.00287 0.05726 87 2S 0.06363 0.12590 -0.15300 -0.12008 -0.08518 88 12 C 1S 0.02937 0.01377 0.03132 -0.01083 0.01287 89 2S 0.34112 0.17070 0.39437 -0.13461 0.14716 90 2PX -0.06272 -0.00318 -0.01372 0.00118 0.05987 91 2PY 0.00887 0.01616 -0.02856 0.06730 -0.04623 92 2PZ -0.01433 0.08039 -0.02480 0.02397 0.07942 93 3S -1.52641 0.04435 -2.13672 0.56175 -0.50444 94 3PX -0.33957 0.52624 -0.51546 0.03111 -0.18516 95 3PY 0.44502 0.04243 -0.31603 -0.34533 -0.00110 96 3PZ -0.20606 -0.32590 -0.07682 0.02778 -0.27815 97 4XX -0.11336 0.01159 0.02932 -0.00056 -0.07467 98 4YY 0.00921 0.01795 -0.01861 -0.03718 0.19541 99 4ZZ 0.14075 -0.01814 -0.00694 0.02344 -0.10976 100 4XY 0.23736 -0.01256 0.01336 -0.14302 -0.13273 101 4XZ 0.04417 0.03698 -0.03748 -0.11662 -0.20778 102 4YZ -0.02312 -0.05949 0.10121 -0.19889 -0.05946 103 13 H 1S 0.14529 -0.03902 0.18415 -0.00295 0.05902 104 2S 0.06361 -0.12581 0.15312 -0.12009 -0.08365 105 14 H 1S 0.06056 0.18491 0.02877 -0.06302 0.06144 106 2S 0.16062 0.21071 0.03018 -0.07899 0.02399 107 15 C 1S 0.04069 -0.00844 -0.02733 0.00906 0.01840 108 2S 0.52757 -0.22198 -0.21634 -0.04808 0.22559 109 2PX -0.01810 0.09467 0.05097 0.00758 -0.06176 110 2PY 0.07985 -0.01179 -0.09694 0.05762 -0.08115 111 2PZ 0.01394 -0.10763 0.02669 -0.00423 0.04722 112 3S -2.00593 0.73880 0.53999 -0.27037 -0.77761 113 3PX -0.05225 -0.04186 -0.48885 0.08008 -0.16576 114 3PY -0.96050 -0.15203 0.97511 -0.43237 -0.08313 115 3PZ -0.23807 0.08485 -0.66876 0.34557 -0.28315 116 4XX -0.07808 -0.23517 -0.16384 0.13934 0.05908 117 4YY 0.00159 -0.01014 0.00343 -0.02876 -0.03150 118 4ZZ 0.10222 0.25180 0.09980 -0.07154 0.01788 119 4XY 0.10244 0.03044 0.07177 -0.24332 -0.13850 120 4XZ -0.07972 0.00452 0.10568 -0.15834 -0.14881 121 4YZ -0.10907 0.08452 0.11827 0.13203 0.05609 122 16 H 1S 0.27304 -0.11769 -0.34713 0.22670 0.09256 123 2S 0.37706 0.01299 -0.64689 0.30391 0.03901 124 17 C 1S 0.04065 0.00841 0.02739 0.00906 0.01825 125 2S 0.52699 0.22171 0.21674 -0.04790 0.22336 126 2PX -0.01801 -0.09472 -0.05083 0.00753 -0.06114 127 2PY -0.07973 -0.01174 -0.09704 -0.05748 0.08137 128 2PZ 0.01410 0.10763 -0.02664 -0.00412 0.04744 129 3S -2.00305 -0.73738 -0.54244 -0.27198 -0.77054 130 3PX -0.05162 0.04206 0.48853 0.07914 -0.17103 131 3PY 0.95939 -0.15273 0.97663 0.43086 0.08470 132 3PZ -0.23896 -0.08465 0.66831 0.34448 -0.28683 133 4XX -0.07814 0.23516 0.16382 0.13940 0.05901 134 4YY 0.00162 0.01021 -0.00345 -0.02877 -0.03148 135 4ZZ 0.10226 -0.25192 -0.09963 -0.07167 0.01780 136 4XY -0.10246 0.03029 0.07176 0.24326 0.13856 137 4XZ -0.07962 -0.00439 -0.10592 -0.15825 -0.14895 138 4YZ 0.10891 0.08446 0.11827 -0.13207 -0.05664 139 18 H 1S 0.27256 0.11750 0.34762 0.22651 0.09149 140 2S 0.37590 -0.01325 0.64722 0.30324 0.03692 141 19 O 1S 0.00409 -0.00370 -0.00931 0.04055 -0.04798 142 2S 0.02488 -0.00665 -0.04994 0.59323 -0.58786 143 2PX 0.15437 0.00053 -0.04797 0.00247 -0.00416 144 2PY -0.13981 -0.03818 -0.00213 -0.14691 0.00920 145 2PZ 0.16773 -0.06130 -0.08877 0.04747 0.02379 146 3S -0.07847 0.02870 0.35000 -1.93864 2.11520 147 3PX -0.89363 0.17074 0.36309 -0.33585 -0.07037 148 3PY 0.64873 -0.01048 -0.26545 0.87788 -0.54094 149 3PZ -0.67260 0.07644 0.31435 -0.34442 -0.17251 150 4XX 0.02965 0.25972 0.26327 0.16588 -0.14362 151 4YY -0.05178 -0.08047 -0.18193 0.18383 -0.29623 152 4ZZ 0.04485 -0.18946 -0.14448 0.09029 0.02488 153 4XY -0.03603 0.10598 0.01063 -0.15149 -0.00923 154 4XZ -0.02916 -0.04043 0.00409 0.08155 -0.22995 155 4YZ -0.07767 -0.23888 -0.04737 0.04675 -0.02450 156 20 O 1S 0.00415 0.00368 0.00933 0.04052 -0.04805 157 2S 0.02592 0.00651 0.05027 0.59295 -0.58912 158 2PX 0.15418 -0.00067 0.04818 0.00241 -0.00416 159 2PY 0.14000 -0.03832 -0.00183 0.14685 -0.00913 160 2PZ 0.16746 0.06119 0.08900 0.04747 0.02386 161 3S -0.08123 -0.02819 -0.35112 -1.93757 2.11963 162 3PX -0.89283 -0.16989 -0.36451 -0.33581 -0.07068 163 3PY -0.64927 -0.00978 -0.26688 -0.87753 0.54119 164 3PZ -0.67147 -0.07580 -0.31537 -0.34424 -0.17326 165 4XX 0.03021 -0.25983 -0.26310 0.16584 -0.14377 166 4YY -0.05148 0.08033 0.18197 0.18357 -0.29688 167 4ZZ 0.04473 0.18960 0.14452 0.09035 0.02485 168 4XY 0.03612 0.10595 0.01075 0.15158 0.00936 169 4XZ -0.02901 0.04039 -0.00416 0.08154 -0.23006 170 4YZ 0.07737 -0.23894 -0.04725 -0.04689 0.02488 171 21 C 1S -0.04643 0.00002 -0.00004 -0.03928 0.02830 172 2S -0.53514 0.00033 -0.00046 -0.51802 0.45833 173 2PX -0.09171 0.00004 -0.00010 -0.11897 0.03048 174 2PY -0.00002 -0.04566 -0.14168 0.00005 0.00015 175 2PZ -0.04883 0.00006 -0.00003 -0.08691 0.00224 176 3S 2.74923 -0.00153 0.00264 2.87776 -1.93215 177 3PX -0.45494 0.00030 -0.00056 -0.75713 0.55810 178 3PY 0.00011 -0.21986 -0.48695 0.00022 0.00028 179 3PZ 0.07274 -0.00003 0.00012 0.25038 0.35587 180 4XX -0.01593 0.00003 0.00001 -0.07969 -0.06671 181 4YY 0.11185 -0.00008 0.00007 0.20625 -0.07575 182 4ZZ -0.05340 0.00004 -0.00005 -0.10377 0.13787 183 4XY -0.00010 0.02135 0.16949 -0.00004 0.00003 184 4XZ -0.07367 0.00006 -0.00007 0.02836 -0.16617 185 4YZ 0.00019 0.10871 -0.09299 0.00001 -0.00005 186 22 H 1S -0.23821 0.00011 -0.00020 -0.08412 0.08232 187 2S -0.20620 0.00008 -0.00015 -0.06607 0.19711 188 23 H 1S -0.25236 0.00010 -0.00023 -0.26939 0.06817 189 2S -0.34878 0.00022 -0.00032 -0.45993 0.09339 131 132 133 134 135 V V V V V Eigenvalues -- 1.74684 1.75980 1.79216 1.85800 1.87089 1 1 C 1S 0.01711 -0.00413 0.00508 -0.01771 0.01320 2 2S 0.11568 -0.13943 0.03869 -0.01774 0.13365 3 2PX -0.01707 -0.00714 0.06278 -0.04292 -0.03981 4 2PY 0.02545 0.09387 -0.10511 -0.10323 -0.00099 5 2PZ 0.05610 0.04223 0.09042 -0.05753 -0.08594 6 3S -1.47947 0.05046 -0.30234 1.31364 -0.41000 7 3PX 0.20248 0.11761 0.17621 -0.30582 -0.02979 8 3PY -0.12673 -0.01295 0.40609 -0.53327 -0.15364 9 3PZ 0.93740 0.13366 0.47433 -0.65199 0.07508 10 4XX -0.06314 -0.10219 0.04185 -0.07382 0.26290 11 4YY -0.00999 0.14239 -0.04198 0.13190 -0.03425 12 4ZZ 0.05539 -0.03616 0.03460 -0.02395 -0.16863 13 4XY 0.04582 0.02452 0.16093 0.02959 -0.04677 14 4XZ -0.01774 0.00706 0.18071 -0.11393 -0.19684 15 4YZ 0.00344 0.15734 0.05025 -0.03150 -0.03452 16 2 C 1S -0.01710 -0.00408 0.00505 0.01769 0.01323 17 2S -0.11573 -0.13919 0.03827 0.01713 0.13362 18 2PX 0.01671 -0.00716 0.06271 0.04299 -0.03967 19 2PY 0.02479 -0.09388 0.10517 -0.10321 0.00098 20 2PZ -0.05654 0.04251 0.09048 0.05792 -0.08581 21 3S 1.47954 0.04666 -0.29919 -1.31277 -0.41118 22 3PX -0.20198 0.11737 0.17564 0.30598 -0.02977 23 3PY -0.12555 0.01441 -0.40550 -0.53424 0.15302 24 3PZ -0.93721 0.13556 0.47251 0.65211 0.07550 25 4XX 0.06223 -0.10249 0.04176 0.07313 0.26309 26 4YY 0.01112 0.14249 -0.04181 -0.13164 -0.03447 27 4ZZ -0.05571 -0.03601 0.03459 0.02426 -0.16868 28 4XY 0.04606 -0.02467 -0.16101 0.02938 0.04690 29 4XZ 0.01682 0.00688 0.18046 0.11473 -0.19649 30 4YZ 0.00293 -0.15729 -0.05028 -0.03172 0.03463 31 3 H 1S -0.04255 -0.12981 -0.27915 0.15641 0.20258 32 2S -0.15358 -0.03032 -0.18387 0.21993 0.02952 33 4 H 1S 0.04290 -0.12960 -0.27892 -0.15715 0.20247 34 2S 0.15348 -0.03023 -0.18345 -0.22021 0.02936 35 5 C 1S -0.02752 -0.00155 -0.00857 0.00398 0.00632 36 2S -0.50694 -0.31039 -0.28807 -0.12763 0.07751 37 2PX 0.02900 0.12858 -0.01920 -0.03705 -0.05608 38 2PY 0.13573 0.10953 0.10718 0.05736 -0.05492 39 2PZ 0.13747 0.19030 0.03788 0.05345 0.03738 40 3S 0.90654 0.57623 0.84865 -0.51097 -0.12331 41 3PX 0.59648 -0.21241 -0.13620 0.30331 0.29138 42 3PY -0.60212 -0.49930 -1.03669 0.59989 -0.09759 43 3PZ 0.75359 -0.27387 0.06243 -0.55152 0.11871 44 4XX -0.08688 -0.01714 0.03372 -0.31131 0.15373 45 4YY -0.02221 0.01364 0.03351 0.12837 -0.11004 46 4ZZ 0.06486 0.02191 -0.02849 0.18727 0.02749 47 4XY -0.10208 0.19888 0.02000 -0.11405 -0.17321 48 4XZ 0.03332 0.10305 -0.05341 0.12209 -0.16781 49 4YZ -0.04938 0.17117 -0.10797 0.39373 0.14914 50 6 H 1S 0.07152 0.01535 0.13129 -0.16109 0.12801 51 2S 0.11395 0.14242 0.29902 -0.17093 0.05966 52 7 C 1S 0.02765 -0.00165 -0.00856 -0.00401 0.00634 53 2S 0.50675 -0.31236 -0.28793 0.12672 0.07816 54 2PX -0.02841 0.12854 -0.01930 0.03724 -0.05605 55 2PY 0.13558 -0.11011 -0.10718 0.05713 0.05513 56 2PZ -0.13666 0.19079 0.03784 -0.05335 0.03727 57 3S -0.90818 0.57836 0.84717 0.51292 -0.12425 58 3PX -0.59750 -0.20936 -0.13604 -0.30406 0.29123 59 3PY -0.60164 0.50077 1.03559 0.60082 0.09778 60 3PZ -0.75411 -0.27114 0.06161 0.55098 0.11977 61 4XX 0.08685 -0.01777 0.03335 0.31099 0.15415 62 4YY 0.02220 0.01367 0.03363 -0.12847 -0.11037 63 4ZZ -0.06466 0.02232 -0.02825 -0.18695 0.02737 64 4XY -0.10303 -0.19824 -0.01967 -0.11444 0.17313 65 4XZ -0.03265 0.10321 -0.05323 -0.12148 -0.16799 66 4YZ -0.05071 -0.17133 0.10755 0.39405 -0.14857 67 8 H 1S -0.07112 0.01557 0.13112 0.16109 0.12845 68 2S -0.11393 0.14257 0.29874 0.17104 0.05978 69 9 C 1S -0.11690 0.00471 0.00948 0.01413 -0.01519 70 2S -1.49978 0.23901 0.15273 -0.09622 -0.08463 71 2PX -0.18806 -0.05656 0.02572 0.01528 -0.03131 72 2PY -0.04790 -0.24745 -0.02931 0.01914 -0.01980 73 2PZ -0.03937 -0.05322 0.02560 -0.13111 0.00283 74 3S 4.81220 -0.55549 -0.55271 0.18564 0.43801 75 3PX 0.56827 -0.09850 -0.19344 -0.70978 -0.01599 76 3PY -0.93566 0.26885 0.12942 -0.18688 0.18108 77 3PZ 0.05085 -0.07310 -0.26760 1.21671 0.09579 78 4XX 0.06512 0.10200 -0.01137 0.15447 0.13314 79 4YY 0.02854 -0.29931 0.10366 -0.04329 -0.12689 80 4ZZ -0.14893 0.17330 -0.09466 -0.09083 0.02251 81 4XY 0.12637 0.23889 0.20369 0.07328 -0.09515 82 4XZ -0.12796 0.01846 -0.20968 0.25911 -0.14044 83 4YZ 0.01868 0.27375 0.09743 -0.24733 0.00505 84 10 H 1S -0.40049 0.02340 0.03419 -0.16952 -0.21894 85 2S -0.15304 0.02478 0.01238 -0.34449 -0.01595 86 11 H 1S -0.40413 0.03305 0.01238 0.32250 -0.07146 87 2S -0.36230 0.01764 -0.01112 0.39735 -0.00868 88 12 C 1S 0.11684 0.00427 0.00953 -0.01408 -0.01524 89 2S 1.49988 0.23327 0.15322 0.09670 -0.08472 90 2PX 0.18763 -0.05723 0.02587 -0.01529 -0.03131 91 2PY -0.04667 0.24767 0.02926 0.01920 0.01987 92 2PZ 0.03881 -0.05333 0.02549 0.13116 0.00310 93 3S -4.81132 -0.53662 -0.55411 -0.18760 0.43928 94 3PX -0.56764 -0.09699 -0.19479 0.70968 -0.01505 95 3PY -0.93733 -0.26526 -0.12927 -0.18591 -0.18147 96 3PZ -0.05076 -0.07175 -0.26607 -1.21710 0.09410 97 4XX -0.06454 0.10264 -0.01092 -0.15458 0.13306 98 4YY -0.03064 -0.29899 0.10366 0.04386 -0.12677 99 4ZZ 0.15031 0.17216 -0.09508 0.09027 0.02244 100 4XY 0.12578 -0.23952 -0.20373 0.07275 0.09515 101 4XZ 0.12876 0.01792 -0.20952 -0.25929 -0.14086 102 4YZ 0.01780 -0.27394 -0.09703 -0.24811 -0.00550 103 13 H 1S 0.40379 0.03180 0.01288 -0.32212 -0.07200 104 2S 0.36256 0.01675 -0.01026 -0.39736 -0.00940 105 14 H 1S 0.40016 0.02165 0.03405 0.16993 -0.21889 106 2S 0.15286 0.02378 0.01182 0.34449 -0.01561 107 15 C 1S 0.03850 0.00787 0.00717 0.00383 0.01154 108 2S 0.55538 0.11129 0.08819 -0.02298 0.31151 109 2PX -0.15464 0.00013 0.10878 0.03039 0.05038 110 2PY 0.04908 -0.05806 -0.01454 -0.00057 0.03030 111 2PZ -0.05750 0.03564 -0.01151 0.02127 0.14158 112 3S -1.87914 -0.21418 0.24293 -0.10270 -0.43695 113 3PX 1.14352 -0.09738 0.03605 -0.33216 -0.02917 114 3PY 0.39832 0.13597 0.36996 -0.07262 -0.07343 115 3PZ 0.78095 -0.28201 -0.07461 -0.45487 -0.11455 116 4XX 0.01405 -0.04519 -0.14393 -0.00167 -0.14892 117 4YY -0.00743 0.00738 0.06341 0.00631 0.10864 118 4ZZ 0.01678 0.04901 0.06599 0.00310 -0.00801 119 4XY 0.03439 0.02098 0.21682 -0.02317 0.11777 120 4XZ 0.01723 0.00118 0.15222 -0.01276 -0.13620 121 4YZ -0.13598 -0.00410 0.00216 0.03488 0.18354 122 16 H 1S 0.25668 -0.02521 -0.12279 -0.04781 0.19722 123 2S 0.50155 -0.15954 -0.11312 -0.14886 -0.00254 124 17 C 1S -0.03858 0.00802 0.00716 -0.00380 0.01152 125 2S -0.55663 0.11356 0.08807 0.02307 0.31143 126 2PX 0.15509 -0.00051 0.10887 -0.03030 0.05037 127 2PY 0.04915 0.05795 0.01464 -0.00051 -0.03006 128 2PZ 0.05750 0.03544 -0.01146 -0.02134 0.14153 129 3S 1.88321 -0.22197 0.24320 0.10261 -0.43539 130 3PX -1.14393 -0.09302 0.03520 0.33230 -0.02855 131 3PY 0.39650 -0.13811 -0.37010 -0.07281 0.07414 132 3PZ -0.78112 -0.27936 -0.07532 0.45500 -0.11287 133 4XX -0.01425 -0.04517 -0.14399 0.00174 -0.14889 134 4YY 0.00744 0.00739 0.06343 -0.00629 0.10865 135 4ZZ -0.01665 0.04904 0.06599 -0.00310 -0.00799 136 4XY 0.03378 -0.02118 -0.21682 -0.02320 -0.11805 137 4XZ -0.01671 0.00125 0.15222 0.01286 -0.13633 138 4YZ -0.13585 0.00465 -0.00228 0.03479 -0.18364 139 18 H 1S -0.25725 -0.02424 -0.12291 0.04778 0.19761 140 2S -0.50303 -0.15791 -0.11356 0.14900 -0.00197 141 19 O 1S 0.01119 -0.02496 0.02560 -0.00806 -0.00434 142 2S 0.20907 -0.36589 0.30805 -0.10236 -0.00570 143 2PX -0.00668 0.02735 0.04502 -0.00524 0.02909 144 2PY 0.02180 0.02699 0.05008 -0.00541 -0.03780 145 2PZ -0.01768 -0.01427 -0.04658 0.00651 -0.04518 146 3S -0.73970 1.22411 -1.17042 0.46586 0.14150 147 3PX 0.07023 -0.01728 0.01337 -0.09005 -0.00361 148 3PY 0.01194 -0.38223 0.16746 -0.03763 -0.01406 149 3PZ 0.10700 0.05567 0.26235 -0.08064 0.13618 150 4XX 0.02146 -0.07620 0.07604 -0.00459 -0.12415 151 4YY 0.09792 -0.13772 0.23730 -0.04814 -0.00350 152 4ZZ 0.01847 -0.03029 -0.11707 -0.01213 0.13905 153 4XY 0.04189 0.04057 0.16071 0.00217 0.08506 154 4XZ 0.01897 -0.11775 0.15187 -0.01492 -0.07331 155 4YZ 0.04700 -0.02190 -0.05542 -0.01830 -0.08313 156 20 O 1S -0.01111 -0.02493 0.02558 0.00808 -0.00432 157 2S -0.20839 -0.36507 0.30792 0.10265 -0.00545 158 2PX 0.00677 0.02725 0.04497 0.00521 0.02899 159 2PY 0.02168 -0.02706 -0.05005 -0.00547 0.03789 160 2PZ 0.01755 -0.01435 -0.04654 -0.00649 -0.04520 161 3S 0.73662 1.22155 -1.16963 -0.46687 0.14033 162 3PX -0.06963 -0.01683 0.01339 0.09013 -0.00303 163 3PY 0.01166 0.38231 -0.16726 -0.03775 0.01380 164 3PZ -0.10601 0.05607 0.26232 0.08070 0.13635 165 4XX -0.02134 -0.07608 0.07612 0.00478 -0.12397 166 4YY -0.09731 -0.13742 0.23711 0.04831 -0.00366 167 4ZZ -0.01863 -0.03020 -0.11710 0.01191 0.13918 168 4XY 0.04173 -0.04073 -0.16058 0.00208 -0.08469 169 4XZ -0.01851 -0.11759 0.15195 0.01503 -0.07309 170 4YZ 0.04696 0.02172 0.05530 -0.01835 0.08318 171 21 C 1S -0.00002 0.01563 -0.03391 -0.00001 -0.01131 172 2S -0.00032 0.25375 -0.49519 -0.00016 -0.05519 173 2PX 0.00001 0.02391 0.06422 0.00000 0.05198 174 2PY 0.04437 -0.00004 0.00004 -0.01417 0.00008 175 2PZ 0.00008 0.03629 0.02640 0.00002 -0.00651 176 3S 0.00087 -1.19857 1.45551 0.00052 0.12094 177 3PX -0.00023 0.39449 -0.40032 -0.00022 0.05699 178 3PY 0.05364 -0.00001 0.00002 -0.01807 0.00001 179 3PZ -0.00080 -0.03143 -0.66731 -0.00010 -0.36311 180 4XX 0.00017 0.01838 0.27106 0.00006 0.31729 181 4YY -0.00008 -0.10148 -0.13624 0.00003 -0.36030 182 4ZZ -0.00012 0.06962 -0.12647 -0.00009 0.06403 183 4XY 0.02588 -0.00009 -0.00004 -0.00477 0.00002 184 4XZ 0.00029 -0.03440 0.14771 0.00009 -0.01327 185 4YZ -0.01357 0.00006 -0.00001 0.03401 0.00011 186 22 H 1S -0.00005 0.03155 -0.22488 0.00002 -0.27375 187 2S -0.00030 0.02037 -0.23170 -0.00005 -0.05996 188 23 H 1S 0.00008 0.08491 0.03390 0.00000 0.02100 189 2S 0.00021 0.15238 0.08412 -0.00002 0.12542 136 137 138 139 140 V V V V V Eigenvalues -- 1.89382 1.89864 1.94418 1.96129 1.96313 1 1 C 1S -0.00170 -0.00992 0.00565 0.00073 -0.00324 2 2S 0.04962 -0.28379 -0.13719 0.03637 -0.01334 3 2PX -0.01325 -0.01640 -0.02080 0.00754 0.03722 4 2PY 0.06314 0.08955 0.09785 -0.19529 0.05597 5 2PZ -0.03477 0.03385 -0.00292 0.02755 0.01015 6 3S -0.19685 0.52891 0.03979 -0.06144 0.21526 7 3PX 0.09062 -0.09402 0.01483 -0.20063 -0.02665 8 3PY -0.13312 -0.10860 -0.09124 0.47227 -0.01212 9 3PZ 0.14659 -0.28891 0.10653 -0.43171 -0.00517 10 4XX -0.04621 -0.21372 0.06207 0.09656 -0.03031 11 4YY 0.00592 0.18707 0.21739 0.04586 0.08782 12 4ZZ 0.05688 -0.05066 -0.26773 -0.16828 -0.06903 13 4XY 0.04481 -0.09948 -0.00841 -0.04692 0.10040 14 4XZ -0.04246 0.11156 -0.00061 -0.01541 0.01812 15 4YZ 0.05698 -0.08725 0.07472 -0.17726 0.17858 16 2 C 1S 0.00161 -0.00994 0.00565 -0.00066 -0.00326 17 2S -0.05185 -0.28325 -0.13740 -0.03656 -0.01407 18 2PX 0.01316 -0.01660 -0.02071 -0.00829 0.03705 19 2PY 0.06240 -0.08989 -0.09741 -0.19467 -0.05939 20 2PZ 0.03507 0.03349 -0.00271 -0.02779 0.00966 21 3S 0.20117 0.52731 0.04043 0.05818 0.21654 22 3PX -0.09148 -0.09311 0.01412 0.20119 -0.02290 23 3PY -0.13203 0.10951 0.09011 0.47224 0.02036 24 3PZ -0.14917 -0.28749 0.10484 0.43216 0.00251 25 4XX 0.04432 -0.21414 0.06229 -0.09586 -0.03196 26 4YY -0.00456 0.18720 0.21743 -0.04651 0.08711 27 4ZZ -0.05701 -0.05024 -0.26809 0.16845 -0.06622 28 4XY 0.04556 0.09914 0.00869 -0.04516 -0.10120 29 4XZ 0.04344 0.11119 -0.00050 0.01497 0.01838 30 4YZ 0.05768 0.08693 -0.07421 -0.17477 -0.18156 31 3 H 1S -0.04319 0.07907 0.02831 0.20906 -0.13103 32 2S 0.01321 0.02465 -0.03731 -0.00007 0.01463 33 4 H 1S 0.04378 0.07876 0.02877 -0.20680 -0.13474 34 2S -0.01290 0.02461 -0.03715 -0.00028 0.01454 35 5 C 1S -0.00689 0.00071 -0.00372 0.03406 0.00127 36 2S -0.12279 -0.05004 -0.03672 0.51516 0.27014 37 2PX 0.02202 0.00833 -0.01680 0.02779 -0.01662 38 2PY 0.07383 -0.02315 -0.07901 -0.13102 -0.09327 39 2PZ -0.01213 -0.03464 0.09713 -0.04090 0.05886 40 3S 0.37192 -0.19560 0.29788 -1.64905 -0.43904 41 3PX -0.07937 -0.02820 0.11698 -0.03690 0.05216 42 3PY -0.10469 0.38777 -0.24210 -0.20887 0.16546 43 3PZ 0.15652 -0.23041 -0.29351 0.07702 -0.09614 44 4XX 0.01803 -0.15267 0.04381 0.08378 -0.01303 45 4YY 0.14064 -0.01513 -0.08285 -0.40807 0.04463 46 4ZZ -0.14392 0.12055 0.10747 0.26825 -0.00515 47 4XY 0.05840 0.00308 -0.18567 -0.09290 -0.06629 48 4XZ 0.02767 0.17912 -0.06291 0.07184 -0.10205 49 4YZ 0.01877 0.02777 0.23076 0.09918 0.08773 50 6 H 1S -0.13188 -0.03156 0.14709 0.55444 0.00283 51 2S 0.04510 -0.15032 0.05660 0.11581 -0.01998 52 7 C 1S 0.00689 0.00066 -0.00362 -0.03409 0.00069 53 2S 0.12254 -0.05119 -0.03492 -0.51960 0.26129 54 2PX -0.02196 0.00850 -0.01680 -0.02747 -0.01704 55 2PY 0.07402 0.02249 0.07941 -0.13223 0.09099 56 2PZ 0.01176 -0.03460 0.09690 0.04027 0.05956 57 3S -0.37378 -0.19262 0.29286 1.65707 -0.41055 58 3PX 0.07915 -0.02865 0.11707 0.03617 0.05250 59 3PY -0.10848 -0.38662 0.24243 -0.20585 -0.16897 60 3PZ -0.15819 -0.22981 -0.29317 -0.07655 -0.09732 61 4XX -0.01947 -0.15292 0.04386 -0.08312 -0.01446 62 4YY -0.14061 -0.01393 -0.08369 0.40687 0.05175 63 4ZZ 0.14485 0.11973 0.10810 -0.26797 -0.00988 64 4XY 0.05827 -0.00347 0.18612 -0.09370 0.06466 65 4XZ -0.02619 0.17945 -0.06287 -0.07013 -0.10327 66 4YZ 0.01856 -0.02838 -0.23084 0.10029 -0.08591 67 8 H 1S 0.13136 -0.03257 0.14846 -0.55408 -0.00673 68 2S -0.04656 -0.14987 0.05692 -0.11542 -0.02194 69 9 C 1S 0.00291 0.02385 0.02059 0.00061 -0.00895 70 2S -0.04964 -0.16044 -0.09738 -0.02436 -0.04232 71 2PX -0.04470 -0.03732 -0.00161 0.02433 0.00004 72 2PY 0.02947 0.10540 0.08820 -0.11252 0.03758 73 2PZ -0.01584 0.00940 0.00751 -0.02583 0.02947 74 3S -0.04175 -0.15499 -0.25077 0.14236 0.21512 75 3PX 0.31819 0.04765 -0.27264 -0.24410 -0.00735 76 3PY -0.04748 -0.28930 -0.12968 0.58819 -0.00095 77 3PZ -0.16273 0.12653 0.10495 0.25041 0.04058 78 4XX -0.01886 -0.18389 -0.13971 0.01085 0.01538 79 4YY -0.01998 0.29142 0.29792 0.02085 0.00675 80 4ZZ 0.04887 -0.09723 -0.13162 -0.05041 -0.02403 81 4XY -0.13311 -0.06325 -0.10193 0.23608 -0.08753 82 4XZ 0.07683 0.17910 -0.04114 -0.11146 -0.11945 83 4YZ -0.00097 0.14310 0.21568 0.17714 -0.00793 84 10 H 1S 0.07132 0.14623 -0.02358 -0.07440 -0.11104 85 2S 0.11787 0.00925 -0.08262 -0.23754 0.00059 86 11 H 1S -0.06405 0.23218 0.24519 0.08417 -0.03451 87 2S -0.02721 0.02877 0.01321 -0.05764 -0.00101 88 12 C 1S -0.00272 0.02389 0.02060 -0.00039 -0.00896 89 2S 0.04835 -0.16092 -0.09671 0.02462 -0.04197 90 2PX 0.04444 -0.03764 -0.00125 -0.02436 -0.00041 91 2PY 0.02855 -0.10563 -0.08793 -0.11219 -0.03956 92 2PZ 0.01595 0.00898 0.00751 0.02519 0.02991 93 3S 0.04071 -0.15566 -0.25161 -0.14684 0.21285 94 3PX -0.31772 0.04903 -0.27438 0.24373 -0.00283 95 3PY -0.04512 0.28966 0.12764 0.58895 0.01125 96 3PZ 0.16378 0.12691 0.10570 -0.25046 0.03594 97 4XX 0.01742 -0.18405 -0.13971 -0.01179 0.01522 98 4YY 0.02228 0.29139 0.29830 -0.02007 0.00640 99 4ZZ -0.04968 -0.09696 -0.13209 0.05069 -0.02320 100 4XY -0.13242 0.06398 0.10111 0.23447 0.09168 101 4XZ -0.07523 0.17997 -0.04153 0.11354 -0.11747 102 4YZ -0.00192 -0.14267 -0.21565 0.17662 0.01096 103 13 H 1S 0.06591 0.23211 0.24555 -0.08298 -0.03610 104 2S 0.02750 0.02915 0.01324 0.05766 0.00000 105 14 H 1S -0.07005 0.14656 -0.02383 0.07651 -0.10968 106 2S -0.11782 0.00976 -0.08352 0.23739 0.00479 107 15 C 1S -0.00192 0.00906 -0.00038 -0.01889 -0.00052 108 2S -0.06818 -0.02277 0.08939 -0.27990 0.05499 109 2PX 0.02226 0.09223 -0.06312 0.10937 -0.04306 110 2PY 0.21500 -0.01469 0.01759 0.00075 -0.14010 111 2PZ 0.00005 0.11517 -0.06964 -0.02120 0.00720 112 3S -0.33962 0.08746 -0.25635 0.78290 0.00985 113 3PX 0.11913 -0.01347 -0.01056 -0.28559 0.02184 114 3PY 0.57933 0.02825 0.00616 0.25463 0.18844 115 3PZ -0.38843 0.08317 -0.28910 0.08620 0.06612 116 4XX -0.01501 0.02780 -0.10363 0.00953 0.03509 117 4YY -0.05904 0.03387 0.07665 0.03009 -0.23748 118 4ZZ 0.08199 -0.03799 -0.01125 0.00334 0.24220 119 4XY -0.24124 0.14119 -0.06213 -0.11472 0.13486 120 4XZ 0.11507 -0.08141 0.17376 -0.03594 0.04616 121 4YZ -0.10600 0.32091 -0.29405 0.03329 0.11988 122 16 H 1S -0.30532 0.28993 -0.29160 -0.17599 0.05156 123 2S -0.18610 -0.11077 0.03201 -0.08542 -0.04414 124 17 C 1S 0.00197 0.00904 -0.00045 0.01892 -0.00021 125 2S 0.06765 -0.02343 0.08813 0.27956 0.05964 126 2PX -0.02163 0.09256 -0.06279 -0.10864 -0.04490 127 2PY 0.21526 0.01308 -0.01760 -0.00174 0.14000 128 2PZ 0.00065 0.11522 -0.06973 0.02101 0.00753 129 3S 0.34087 0.08505 -0.25295 -0.78408 -0.00324 130 3PX -0.11928 -0.01311 -0.01176 0.28516 0.02689 131 3PY 0.57902 -0.03291 -0.00659 0.25791 -0.18439 132 3PZ 0.38918 0.07966 -0.28915 -0.08808 0.06469 133 4XX 0.01556 0.02765 -0.10347 -0.01055 0.03492 134 4YY 0.05885 0.03334 0.07678 -0.02576 -0.23803 135 4ZZ -0.08208 -0.03718 -0.01141 -0.00740 0.24220 136 4XY -0.24233 -0.13929 0.06253 -0.11226 -0.13667 137 4XZ -0.11544 -0.08058 0.17364 0.03517 0.04682 138 4YZ -0.10838 -0.32016 0.29389 0.03601 -0.11908 139 18 H 1S 0.30741 0.28743 -0.29217 0.17450 0.05438 140 2S 0.18520 -0.11253 0.03155 0.08626 -0.04281 141 19 O 1S 0.01323 0.00772 -0.01630 0.01381 0.01141 142 2S -0.01150 0.00664 -0.19187 -0.01397 -0.00669 143 2PX 0.03054 0.01861 0.01154 -0.07766 0.05550 144 2PY 0.18866 0.00315 0.01979 0.11980 0.02984 145 2PZ -0.06672 0.03476 -0.05042 -0.06924 0.19094 146 3S -0.17890 -0.12002 0.70932 -0.23027 -0.20768 147 3PX -0.12885 0.18190 -0.17141 0.19905 0.04951 148 3PY -0.24993 -0.00701 -0.20190 -0.15561 0.01986 149 3PZ 0.13390 0.05605 0.06262 0.13569 -0.42078 150 4XX -0.14428 -0.04523 -0.00559 -0.04934 0.08410 151 4YY 0.43055 0.00166 -0.05052 0.20210 -0.01479 152 4ZZ -0.21850 0.07963 -0.07592 -0.09287 -0.04135 153 4XY 0.32693 0.04659 0.00940 0.03012 -0.05380 154 4XZ -0.18700 -0.00803 -0.01107 -0.04189 -0.07532 155 4YZ 0.00796 0.00914 -0.06379 -0.00440 0.37978 156 20 O 1S -0.01315 0.00782 -0.01628 -0.01404 0.01117 157 2S 0.01162 0.00649 -0.19173 0.01397 -0.00635 158 2PX -0.03036 0.01871 0.01144 0.07667 0.05681 159 2PY 0.18860 -0.00465 -0.01996 0.12039 -0.02781 160 2PZ 0.06712 0.03419 -0.05050 0.06570 0.19207 161 3S 0.17738 -0.12105 0.70867 0.23481 -0.20408 162 3PX 0.13024 0.18111 -0.17101 -0.20033 0.04620 163 3PY -0.25006 0.00908 0.20214 -0.15513 -0.02253 164 3PZ -0.13383 0.05716 0.06276 -0.12816 -0.42290 165 4XX 0.14402 -0.04633 -0.00570 0.04787 0.08490 166 4YY -0.43049 0.00504 -0.05001 -0.20182 -0.01819 167 4ZZ 0.21903 0.07785 -0.07613 0.09347 -0.03973 168 4XY 0.32671 -0.04907 -0.00962 0.02914 0.05411 169 4XZ 0.18692 -0.00949 -0.01115 0.04292 -0.07469 170 4YZ 0.00781 -0.00911 0.06371 0.00241 -0.37977 171 21 C 1S -0.00001 -0.00267 0.01001 0.00011 -0.01279 172 2S 0.00010 0.03849 0.06314 0.00031 -0.03927 173 2PX 0.00005 0.02463 0.01166 0.00055 -0.06461 174 2PY 0.09361 -0.00028 0.00001 -0.08852 -0.00077 175 2PZ 0.00005 0.01392 0.01095 -0.00075 0.09069 176 3S -0.00036 -0.16660 -0.44819 -0.00310 0.36489 177 3PX -0.00040 -0.06098 0.28243 0.00349 -0.37990 178 3PY 0.20596 -0.00078 -0.00006 0.06792 0.00075 179 3PZ -0.00004 -0.11070 -0.10872 -0.00800 0.89916 180 4XX 0.00075 0.25381 -0.15192 0.00148 -0.17976 181 4YY -0.00083 -0.26752 0.14208 0.00075 -0.08453 182 4ZZ 0.00008 0.01548 -0.00107 -0.00248 0.29426 183 4XY -0.06662 0.00033 0.00006 -0.18828 -0.00156 184 4XZ 0.00046 0.10398 -0.10416 -0.00264 0.29797 185 4YZ -0.03554 0.00022 -0.00005 -0.06414 -0.00049 186 22 H 1S -0.00004 -0.06168 0.01095 -0.00336 0.37907 187 2S 0.00022 0.03689 -0.07692 -0.00189 0.20251 188 23 H 1S -0.00018 -0.00871 0.10212 0.00476 -0.54672 189 2S 0.00017 0.08903 0.07116 0.00224 -0.25226 141 142 143 144 145 V V V V V Eigenvalues -- 1.98887 2.01317 2.01547 2.02324 2.05926 1 1 C 1S -0.00521 -0.00908 -0.01027 0.01044 0.00451 2 2S -0.16813 -0.05394 -0.45379 0.05614 0.13623 3 2PX 0.02964 -0.00743 0.03165 -0.05735 -0.02365 4 2PY -0.01961 0.04923 0.08821 -0.13736 -0.01498 5 2PZ 0.06791 0.00263 0.12961 -0.01340 -0.02526 6 3S 0.57512 0.50471 1.61421 -0.49528 0.02166 7 3PX -0.16711 0.06348 -0.23828 0.05885 0.04216 8 3PY -0.11720 0.02613 -0.72182 0.12557 0.02129 9 3PZ -0.43386 -0.10304 -0.72452 0.10928 0.06445 10 4XX 0.01752 -0.04516 -0.01206 0.14843 0.13747 11 4YY -0.03037 0.03443 -0.09881 -0.15883 -0.07029 12 4ZZ -0.00113 0.00240 0.12494 0.04476 -0.03678 13 4XY -0.07736 0.07176 -0.07008 -0.17799 0.00419 14 4XZ 0.00846 0.01100 0.03043 -0.10600 0.00939 15 4YZ -0.00833 0.22042 0.09917 -0.31539 0.15632 16 2 C 1S 0.00522 -0.00918 0.01013 0.01051 0.00452 17 2S 0.16805 -0.05807 0.45265 0.05864 0.13674 18 2PX -0.02965 -0.00716 -0.03134 -0.05751 -0.02363 19 2PY -0.01963 -0.04980 0.08693 0.13781 0.01507 20 2PZ -0.06788 0.00379 -0.12938 -0.01403 -0.02538 21 3S -0.57507 0.51923 -1.60668 -0.50434 0.01981 22 3PX 0.16721 0.06124 0.23839 0.06040 0.04224 23 3PY -0.11747 -0.02026 -0.72152 -0.12996 -0.02181 24 3PZ 0.43416 -0.11013 0.72292 0.11354 0.06510 25 4XX -0.01743 -0.04517 0.01067 0.14845 0.13742 26 4YY 0.03061 0.03371 0.10029 -0.15854 -0.07012 27 4ZZ 0.00083 0.00324 -0.12533 0.04432 -0.03694 28 4XY -0.07740 -0.07092 -0.07177 0.17756 -0.00423 29 4XZ -0.00843 0.01099 -0.02961 -0.10595 0.00930 30 4YZ -0.00854 -0.22116 0.09536 0.31588 -0.15629 31 3 H 1S 0.04970 -0.17196 -0.03729 0.27124 -0.08794 32 2S 0.11060 -0.01496 0.22766 -0.09357 0.00327 33 4 H 1S -0.04984 -0.17200 0.03412 0.27124 -0.08783 34 2S -0.11073 -0.01295 -0.22735 -0.09497 0.00314 35 5 C 1S 0.00059 0.01475 -0.00629 0.00003 0.00460 36 2S 0.18427 0.45746 0.19655 -0.51421 0.22296 37 2PX -0.04822 0.06437 -0.13123 -0.00157 0.08238 38 2PY -0.06256 -0.08325 -0.04531 0.17140 -0.04169 39 2PZ -0.07024 0.05288 -0.12426 -0.05546 0.09128 40 3S -0.44541 -1.01646 -0.66096 0.77332 -0.39510 41 3PX 0.18185 -0.21559 0.51701 0.00130 -0.05729 42 3PY 0.10487 0.38660 0.62085 -0.63458 0.20574 43 3PZ -0.04657 0.00650 0.13032 0.17986 -0.02601 44 4XX -0.04962 0.01250 -0.16396 0.04110 -0.02365 45 4YY -0.07472 0.08594 0.13837 -0.07776 0.10061 46 4ZZ 0.09549 -0.10949 0.00798 0.04605 -0.08268 47 4XY -0.17713 0.06025 -0.26609 -0.04183 -0.03986 48 4XZ -0.08098 0.05995 -0.16293 0.13452 0.05214 49 4YZ -0.01985 0.03214 -0.12915 -0.06103 0.09202 50 6 H 1S 0.10077 -0.02986 -0.15781 0.11858 -0.04992 51 2S -0.03323 -0.01592 -0.14323 0.11852 -0.03542 52 7 C 1S -0.00060 0.01472 0.00641 0.00008 0.00459 53 2S -0.18434 0.45966 -0.18974 -0.51513 0.22269 54 2PX 0.04828 0.06305 0.13175 -0.00078 0.08246 55 2PY -0.06250 0.08382 -0.04357 -0.17170 0.04163 56 2PZ 0.07042 0.05172 0.12512 -0.05479 0.09138 57 3S 0.44605 -1.02344 0.64833 0.77654 -0.39399 58 3PX -0.18207 -0.21075 -0.51895 -0.00187 -0.05767 59 3PY 0.10535 -0.39164 0.61441 0.63801 -0.20500 60 3PZ 0.04614 0.00724 -0.13145 0.17931 -0.02603 61 4XX 0.04975 0.01115 0.16392 0.04184 -0.02344 62 4YY 0.07467 0.08671 -0.13724 -0.07839 0.10046 63 4ZZ -0.09548 -0.10908 -0.00912 0.04603 -0.08270 64 4XY -0.17712 -0.05743 -0.26686 0.04020 0.03968 65 4XZ 0.08098 0.05821 0.16261 0.13558 0.05219 66 4YZ -0.01994 -0.03112 -0.12992 0.06041 -0.09210 67 8 H 1S -0.10060 -0.03063 0.15709 0.11937 -0.04974 68 2S 0.03331 -0.01710 0.14251 0.11944 -0.03531 69 9 C 1S 0.00110 0.00148 -0.01907 0.01313 -0.00753 70 2S 0.28241 -0.11526 0.29302 -0.03558 -0.18244 71 2PX 0.10854 0.05492 0.18779 -0.06046 -0.01906 72 2PY -0.01488 0.06355 0.02706 -0.03841 0.05956 73 2PZ 0.04207 -0.01813 0.10356 -0.02936 -0.00695 74 3S -0.41162 0.30477 0.33210 -0.27504 0.28777 75 3PX -0.47175 0.10436 -0.56307 -0.00439 0.15033 76 3PY 0.23127 -0.07780 -0.01903 0.06377 -0.08686 77 3PZ 0.19399 0.08370 0.35661 -0.03574 0.13963 78 4XX -0.00122 -0.11609 0.02543 0.07250 0.02108 79 4YY 0.04615 0.12580 0.09001 0.02625 0.04532 80 4ZZ -0.07368 -0.01229 -0.14644 -0.06970 -0.07499 81 4XY 0.10758 0.04913 0.12040 0.09344 0.00916 82 4XZ -0.13508 0.10932 -0.22193 0.12124 0.09116 83 4YZ -0.04297 -0.09933 -0.22127 0.13354 0.02441 84 10 H 1S -0.07545 0.12474 -0.18167 0.04224 0.00657 85 2S -0.14405 -0.06683 -0.17596 0.03203 0.00129 86 11 H 1S 0.07769 -0.02746 0.01461 0.12871 0.04165 87 2S 0.10553 -0.02630 0.16132 -0.00492 0.01927 88 12 C 1S -0.00108 0.00132 0.01903 0.01323 -0.00750 89 2S -0.28246 -0.11212 -0.29357 -0.03728 -0.18253 90 2PX -0.10855 0.05680 -0.18688 -0.06149 -0.01923 91 2PY -0.01492 -0.06372 0.02636 0.03857 -0.05957 92 2PZ -0.04217 -0.01718 -0.10362 -0.02995 -0.00704 93 3S 0.41102 0.30641 -0.32860 -0.27664 0.28693 94 3PX 0.47166 0.09810 0.56388 -0.00131 0.15095 95 3PY 0.23163 0.07694 -0.01771 -0.06371 0.08661 96 3PZ -0.19389 0.08732 -0.35595 -0.03753 0.13905 97 4XX 0.00093 -0.11592 -0.02734 0.07238 0.02097 98 4YY -0.04582 0.12649 -0.08864 0.02588 0.04522 99 4ZZ 0.07363 -0.01346 0.14679 -0.06904 -0.07479 100 4XY 0.10732 -0.05052 0.12018 -0.09287 -0.00902 101 4XZ 0.13503 0.10690 0.22197 0.12260 0.09130 102 4YZ -0.04311 0.10140 -0.21968 -0.13466 -0.02463 103 13 H 1S -0.07763 -0.02714 -0.01574 0.12868 0.04156 104 2S -0.10551 -0.02486 -0.16157 -0.00575 0.01912 105 14 H 1S 0.07561 0.12286 0.18274 0.04322 0.00677 106 2S 0.14406 -0.06876 0.17518 0.03296 0.00161 107 15 C 1S 0.00013 -0.00261 -0.00346 0.00581 0.00037 108 2S -0.11745 0.10841 0.20793 0.31679 0.13561 109 2PX -0.05793 0.21833 0.00554 0.01585 -0.01605 110 2PY 0.07310 0.00686 -0.00980 -0.11371 -0.21802 111 2PZ -0.01387 0.05378 0.08265 0.00537 -0.01430 112 3S -0.27006 0.48407 -0.85724 -0.16658 0.05278 113 3PX -0.32154 -0.42191 -0.55487 -0.05490 0.10765 114 3PY 0.12666 0.39826 0.40017 0.35985 0.23035 115 3PZ -0.56347 -0.13718 -0.93309 -0.27139 0.14218 116 4XX 0.09351 -0.12232 -0.06559 -0.10455 0.35828 117 4YY -0.08767 0.03033 0.03795 -0.12134 -0.43300 118 4ZZ -0.06307 0.13828 -0.03954 0.21575 0.13671 119 4XY -0.06787 -0.09574 -0.02881 -0.01435 0.02740 120 4XZ 0.14726 -0.36686 0.15618 0.07755 0.04075 121 4YZ -0.03991 -0.18863 0.08352 -0.14983 0.06906 122 16 H 1S -0.15516 -0.25894 -0.15267 -0.24661 0.08954 123 2S -0.16006 -0.21063 -0.30112 -0.08219 -0.01847 124 17 C 1S -0.00013 -0.00264 0.00342 0.00580 0.00038 125 2S 0.11766 0.11053 -0.20827 0.31503 0.13567 126 2PX 0.05786 0.21836 -0.00352 0.01587 -0.01609 127 2PY 0.07314 -0.00671 -0.01063 0.11361 0.21794 128 2PZ 0.01374 0.05461 -0.08211 0.00479 -0.01438 129 3S 0.27009 0.47442 0.86219 -0.15974 0.05218 130 3PX 0.32178 -0.42808 0.55107 -0.05163 0.10794 131 3PY 0.12653 -0.40300 0.39845 -0.35710 -0.23052 132 3PZ 0.56339 -0.14732 0.93274 -0.26544 0.14241 133 4XX -0.09357 -0.12295 0.06464 -0.10410 0.35832 134 4YY 0.08760 0.03078 -0.03655 -0.12155 -0.43310 135 4ZZ 0.06317 0.13772 0.03950 0.21592 0.13675 136 4XY -0.06774 0.09598 -0.02794 0.01435 -0.02729 137 4XZ -0.14705 -0.36505 -0.16016 0.07661 0.04075 138 4YZ -0.03955 0.18772 0.08465 0.15037 -0.06879 139 18 H 1S 0.15473 -0.26073 0.15135 -0.24580 0.08955 140 2S 0.16017 -0.21382 0.29954 -0.08038 -0.01837 141 19 O 1S -0.02358 -0.00460 -0.00012 -0.00235 0.02093 142 2S 0.04088 0.49205 -0.33016 0.22838 0.15445 143 2PX 0.22161 -0.13670 -0.07916 0.06060 0.18395 144 2PY -0.16824 -0.09330 0.17401 -0.04690 -0.01809 145 2PZ 0.10049 -0.13860 0.00856 0.03965 0.00366 146 3S 0.44206 -0.92701 0.89803 -0.41601 -0.64813 147 3PX -0.39437 0.09991 -0.04859 -0.16872 -0.32923 148 3PY 0.06755 0.19355 -0.29943 0.08179 0.22349 149 3PZ -0.17554 0.18724 -0.09133 -0.13921 0.14589 150 4XX -0.02033 0.00920 -0.06576 0.02121 -0.03531 151 4YY -0.08980 0.17734 0.00898 0.08596 0.05408 152 4ZZ 0.07279 -0.00037 -0.09459 -0.03918 0.08673 153 4XY 0.25577 0.04673 -0.05299 0.07969 0.16885 154 4XZ -0.08367 -0.17512 0.03928 -0.09850 0.10858 155 4YZ 0.06873 0.01666 -0.04373 0.16691 -0.14126 156 20 O 1S 0.02357 -0.00460 0.00006 -0.00235 0.02093 157 2S -0.04065 0.48841 0.33342 0.23047 0.15463 158 2PX -0.22155 -0.13734 0.07738 0.06109 0.18413 159 2PY -0.16820 0.09147 0.17462 0.04794 0.01822 160 2PZ -0.10054 -0.13850 -0.01024 0.03963 0.00367 161 3S -0.44237 -0.91707 -0.90369 -0.42181 -0.64849 162 3PX 0.39417 0.09906 0.05061 -0.16831 -0.32960 163 3PY 0.06756 -0.19026 -0.30042 -0.08365 -0.22360 164 3PZ 0.17575 0.18629 0.09407 -0.13870 0.14593 165 4XX 0.02041 0.00858 0.06581 0.02162 -0.03530 166 4YY 0.08984 0.17736 -0.00779 0.08592 0.05417 167 4ZZ -0.07293 -0.00140 0.09461 -0.03858 0.08671 168 4XY 0.25565 -0.04630 -0.05296 -0.08008 -0.16899 169 4XZ 0.08351 -0.17472 -0.04062 -0.09871 0.10844 170 4YZ 0.06871 -0.01626 -0.04298 -0.16733 0.14117 171 21 C 1S -0.00002 -0.03843 -0.00008 -0.03337 -0.02133 172 2S 0.00010 -0.27271 -0.00085 -0.17221 0.06536 173 2PX -0.00007 -0.05852 -0.00008 -0.05632 -0.11811 174 2PY 0.28699 0.00093 -0.18106 -0.00057 -0.00015 175 2PZ -0.00006 0.04164 0.00026 0.00955 -0.13651 176 3S 0.00016 1.26523 0.00272 1.06604 0.80275 177 3PX 0.00024 -0.21514 -0.00061 -0.16368 0.28776 178 3PY -0.17169 -0.00049 0.08602 0.00033 -0.00014 179 3PZ -0.00005 -0.43151 -0.00274 0.27431 -0.56981 180 4XX -0.00010 0.11757 0.00088 -0.10943 0.06190 181 4YY 0.00001 -0.22039 -0.00057 -0.20043 0.03688 182 4ZZ 0.00006 0.10189 -0.00046 0.36449 -0.07729 183 4XY 0.59532 0.00154 -0.32215 -0.00099 -0.00026 184 4XZ -0.00027 0.01924 0.00048 -0.07404 -0.43827 185 4YZ 0.23791 0.00081 -0.14659 -0.00047 -0.00011 186 22 H 1S -0.00014 -0.22444 -0.00058 -0.12346 -0.51855 187 2S -0.00011 -0.19376 -0.00090 0.00296 -0.20156 188 23 H 1S -0.00006 -0.14072 0.00048 -0.42748 0.21730 189 2S 0.00000 0.04194 0.00062 -0.14285 0.01804 146 147 148 149 150 V V V V V Eigenvalues -- 2.07782 2.09883 2.11357 2.18123 2.18372 1 1 C 1S 0.02663 0.00197 0.00624 -0.01258 -0.00530 2 2S 0.33953 0.27263 0.33464 -0.21308 -0.22822 3 2PX -0.00511 -0.02687 -0.01677 0.00070 -0.01295 4 2PY -0.08330 -0.04656 -0.14018 0.00308 0.03801 5 2PZ -0.04523 -0.14366 -0.03891 0.06349 0.04036 6 3S -0.86926 -0.87608 -0.15129 0.61109 -0.03731 7 3PX 0.17072 0.03721 -0.03059 -0.03771 -0.03252 8 3PY 0.02451 0.07564 0.18911 -0.36568 -0.16548 9 3PZ 0.54213 0.35452 0.12238 -0.18012 -0.16760 10 4XX 0.23695 0.08424 0.23577 -0.01520 -0.00657 11 4YY -0.02874 0.10259 -0.29356 -0.02183 0.03574 12 4ZZ -0.17612 -0.13751 0.10175 0.02600 -0.01713 13 4XY -0.00478 -0.06085 -0.03390 0.08915 -0.07616 14 4XZ -0.20483 -0.23161 0.11746 0.01967 -0.08761 15 4YZ 0.11667 0.04134 0.09892 -0.01346 -0.15302 16 2 C 1S 0.02663 -0.00195 0.00623 0.01264 -0.00517 17 2S 0.33970 -0.27181 0.33511 0.21542 -0.22602 18 2PX -0.00510 0.02687 -0.01681 -0.00056 -0.01293 19 2PY 0.08345 -0.04637 0.14025 0.00352 -0.03799 20 2PZ -0.04520 0.14352 -0.03927 -0.06384 0.03984 21 3S -0.87024 0.87611 -0.15106 -0.61125 -0.04584 22 3PX 0.17071 -0.03707 -0.03076 0.03785 -0.03147 23 3PY -0.02506 0.07533 -0.18894 -0.36728 0.16156 24 3PZ 0.54216 -0.35422 0.12249 0.18186 -0.16458 25 4XX 0.23695 -0.08394 0.23604 0.01547 -0.00673 26 4YY -0.02868 -0.10313 -0.29327 0.02141 0.03582 27 4ZZ -0.17624 0.13782 0.10135 -0.02593 -0.01705 28 4XY 0.00482 -0.06115 0.03387 0.08846 0.07711 29 4XZ -0.20510 0.23162 0.11722 -0.01868 -0.08788 30 4YZ -0.11642 0.04072 -0.09920 -0.01495 0.15284 31 3 H 1S 0.05681 0.15327 -0.10700 -0.02208 0.17806 32 2S -0.12340 -0.05402 -0.00381 0.06334 0.03138 33 4 H 1S 0.05707 -0.15372 -0.10683 0.02037 0.17815 34 2S -0.12347 0.05399 -0.00381 -0.06360 0.03050 35 5 C 1S -0.01121 -0.02602 0.00401 -0.00981 -0.00960 36 2S -0.18359 -0.37167 -0.02294 -0.02597 -0.20576 37 2PX 0.08807 -0.08528 0.05801 -0.05866 -0.05255 38 2PY -0.02334 -0.05582 0.03391 -0.01853 0.04089 39 2PZ 0.17747 0.06346 0.09839 -0.07565 -0.08128 40 3S 0.92215 1.45678 -0.03018 0.20655 0.36696 41 3PX -0.21546 0.33210 0.21343 0.09858 0.12332 42 3PY -0.52840 -0.37030 0.22114 0.00086 -0.18563 43 3PZ 0.11604 -0.31030 -0.10670 0.15464 0.08848 44 4XX 0.35897 0.22503 -0.07091 -0.01156 -0.09777 45 4YY -0.18744 -0.14109 0.13498 0.02304 0.01686 46 4ZZ -0.09867 -0.00959 -0.08613 -0.01859 0.09482 47 4XY 0.17907 -0.11052 -0.08062 -0.05667 -0.13073 48 4XZ 0.04880 -0.24324 0.06893 0.04762 -0.00431 49 4YZ -0.06570 0.28376 0.07412 -0.05201 0.06134 50 6 H 1S 0.11434 0.05345 -0.14753 -0.02698 0.01495 51 2S 0.15985 -0.08835 -0.08725 -0.03806 0.01494 52 7 C 1S -0.01122 0.02606 0.00401 0.00987 -0.00955 53 2S -0.18341 0.37243 -0.02299 0.02758 -0.20664 54 2PX 0.08796 0.08551 0.05788 0.05917 -0.05199 55 2PY 0.02343 -0.05576 -0.03375 -0.01816 -0.04127 56 2PZ 0.17737 -0.06316 0.09849 0.07652 -0.08050 57 3S 0.92221 -1.45849 -0.02919 -0.20874 0.36830 58 3PX -0.21537 -0.33240 0.21382 -0.09949 0.12220 59 3PY 0.52887 -0.37124 -0.22172 -0.00072 0.18758 60 3PZ 0.11645 0.31020 -0.10769 -0.15574 0.08751 61 4XX 0.35929 -0.22522 -0.07067 0.01255 -0.09743 62 4YY -0.18804 0.14129 0.13511 -0.02320 0.01646 63 4ZZ -0.09847 0.00952 -0.08633 0.01764 0.09504 64 4XY -0.17908 -0.11076 0.08073 -0.05787 0.13005 65 4XZ 0.04873 0.24322 0.06854 -0.04752 -0.00478 66 4YZ 0.06569 0.28370 -0.07473 -0.05145 -0.06164 67 8 H 1S 0.11485 -0.05374 -0.14776 0.02675 0.01537 68 2S 0.15986 0.08829 -0.08763 0.03784 0.01569 69 9 C 1S 0.02149 0.01302 -0.00925 0.01407 0.00386 70 2S -0.34273 0.04266 -0.06435 0.29292 0.12738 71 2PX -0.08349 -0.04459 0.00267 0.05936 0.01235 72 2PY 0.08861 0.04317 0.01183 -0.01009 -0.03252 73 2PZ -0.11460 -0.02505 0.03430 0.01125 0.00208 74 3S -0.23076 -0.72684 0.22087 -0.72304 -0.16520 75 3PX 0.28087 -0.20090 -0.15561 -0.30226 -0.02068 76 3PY -0.19548 0.09824 -0.03564 0.25746 0.09121 77 3PZ -0.14618 -0.12857 0.42402 -0.00371 -0.19037 78 4XX -0.08173 -0.03354 0.28339 -0.01250 -0.23847 79 4YY 0.25291 -0.07669 -0.02927 0.03511 -0.02185 80 4ZZ -0.09761 0.12690 -0.28129 -0.05533 0.25400 81 4XY 0.27452 -0.19857 -0.16348 0.08663 0.06636 82 4XZ 0.16671 -0.11178 0.19476 -0.05817 -0.09814 83 4YZ -0.15360 0.08855 0.29403 -0.08310 -0.05585 84 10 H 1S 0.31302 -0.06348 -0.25197 0.03033 0.12831 85 2S 0.07916 0.07986 -0.08671 -0.07620 0.01706 86 11 H 1S -0.03991 -0.01011 0.38514 0.04913 -0.18745 87 2S -0.01011 0.01248 0.04947 0.05457 -0.01471 88 12 C 1S 0.02151 -0.01304 -0.00921 -0.01409 0.00375 89 2S -0.34243 -0.04310 -0.06427 -0.29404 0.12474 90 2PX -0.08346 0.04464 0.00266 -0.05949 0.01168 91 2PY -0.08850 0.04300 -0.01201 -0.01036 0.03247 92 2PZ -0.11466 0.02511 0.03432 -0.01132 0.00187 93 3S -0.23196 0.72795 0.22020 0.72408 -0.16039 94 3PX 0.28098 0.20108 -0.15628 0.30214 -0.01779 95 3PY 0.19480 0.09834 0.03551 0.25848 -0.08913 96 3PZ -0.14618 0.12939 0.42342 0.00584 -0.19048 97 4XX -0.08169 0.03380 0.28305 0.01482 -0.23811 98 4YY 0.25263 0.07662 -0.02912 -0.03476 -0.02228 99 4ZZ -0.09738 -0.12712 -0.28104 0.05273 0.25434 100 4XY -0.27476 -0.19867 0.16411 0.08728 -0.06580 101 4XZ 0.16628 0.11223 0.19504 0.05917 -0.09770 102 4YZ 0.15378 0.08851 -0.29409 -0.08380 0.05497 103 13 H 1S -0.03993 0.01047 0.38506 -0.04710 -0.18775 104 2S -0.01021 -0.01247 0.04929 -0.05435 -0.01509 105 14 H 1S 0.31302 0.06338 -0.25212 -0.03162 0.12822 106 2S 0.07925 -0.08003 -0.08657 0.07601 0.01781 107 15 C 1S 0.00576 0.02893 0.00775 0.02860 0.02958 108 2S 0.00894 0.76538 -0.02381 0.45825 0.64268 109 2PX -0.09155 -0.11835 0.03412 0.15804 0.04797 110 2PY 0.00976 0.02291 0.03316 0.03220 -0.21257 111 2PZ -0.02822 0.09462 -0.00287 0.19432 0.08694 112 3S -0.24871 -2.89407 -0.16257 -1.89373 -0.67624 113 3PX 0.25316 -0.01997 -0.13964 -0.99487 -0.26171 114 3PY -0.14659 0.70066 -0.10275 1.05892 0.45157 115 3PZ 0.13830 -1.03922 -0.05106 -1.16431 -0.55004 116 4XX 0.00949 -0.16343 0.00849 -0.06303 0.16200 117 4YY 0.01778 -0.00202 0.04619 0.00444 -0.24321 118 4ZZ -0.03183 0.03687 -0.02892 0.09686 0.08516 119 4XY 0.06294 0.14637 0.05338 0.18410 0.08482 120 4XZ 0.01774 0.17475 -0.13916 -0.41908 -0.15095 121 4YZ 0.10721 -0.08396 -0.01964 -0.15680 -0.10958 122 16 H 1S 0.16213 -0.01983 0.03467 -0.15598 -0.06370 123 2S 0.11922 -0.14082 0.01722 -0.48967 -0.22630 124 17 C 1S 0.00576 -0.02893 0.00780 -0.02886 0.02933 125 2S 0.00923 -0.76556 -0.02265 -0.46414 0.63866 126 2PX -0.09150 0.11854 0.03405 -0.15860 0.04642 127 2PY -0.00979 0.02286 -0.03317 0.03018 0.21287 128 2PZ -0.02813 -0.09458 -0.00265 -0.19517 0.08506 129 3S -0.24998 2.89464 -0.16627 1.89933 -0.66035 130 3PX 0.25249 0.01936 -0.13985 0.99735 -0.25216 131 3PY 0.14606 0.70071 0.10186 1.06360 -0.44245 132 3PZ 0.13748 1.03934 -0.05230 1.16930 -0.53970 133 4XX 0.00941 0.16364 0.00818 0.06132 0.16258 134 4YY 0.01774 0.00197 0.04621 -0.00220 -0.24320 135 4ZZ -0.03177 -0.03692 -0.02874 -0.09744 0.08414 136 4XY -0.06296 0.14638 -0.05366 0.18497 -0.08328 137 4XZ 0.01778 -0.17542 -0.13939 0.42055 -0.14660 138 4YZ -0.10726 -0.08404 0.01979 -0.15794 0.10828 139 18 H 1S 0.16197 0.01998 0.03473 0.15670 -0.06234 140 2S 0.11904 0.14074 0.01696 0.49195 -0.22180 141 19 O 1S 0.00550 -0.00815 0.00315 -0.02045 0.01560 142 2S -0.23100 -0.33226 -0.12513 0.13972 -0.12940 143 2PX 0.02413 0.08168 -0.09781 -0.11815 -0.04754 144 2PY 0.04983 0.03866 0.07317 -0.09892 0.11721 145 2PZ 0.01673 -0.01083 -0.01529 -0.13567 -0.04623 146 3S 0.32549 1.10217 0.16854 0.60049 0.03871 147 3PX 0.00421 -0.45905 0.08019 -0.11351 -0.23758 148 3PY -0.07789 -0.17824 -0.05959 -0.03151 -0.03143 149 3PZ -0.03379 -0.04640 -0.07429 0.14755 0.00057 150 4XX 0.09918 -0.04725 0.09357 -0.18155 0.18876 151 4YY -0.07660 -0.12080 -0.02457 0.04086 -0.01786 152 4ZZ -0.07086 0.02964 -0.08826 0.13166 -0.15029 153 4XY -0.06349 0.01705 -0.07982 0.13608 0.01797 154 4XZ -0.01966 -0.05395 -0.03811 -0.16219 -0.15522 155 4YZ 0.03512 -0.11027 0.03186 -0.27271 0.04202 156 20 O 1S 0.00550 0.00817 0.00313 0.02030 0.01580 157 2S -0.23127 0.33231 -0.12536 -0.13896 -0.13110 158 2PX 0.02416 -0.08200 -0.09786 0.11856 -0.04637 159 2PY -0.04985 0.03852 -0.07314 -0.09789 -0.11834 160 2PZ 0.01671 0.01065 -0.01543 0.13616 -0.04493 161 3S 0.32642 -1.10274 0.16975 -0.59995 0.03375 162 3PX 0.00398 0.45949 0.07977 0.11580 -0.23684 163 3PY 0.07804 -0.17818 0.05967 -0.03156 0.03143 164 3PZ -0.03382 0.04662 -0.07421 -0.14768 -0.00076 165 4XX 0.09906 0.04744 0.09341 0.17967 0.19045 166 4YY -0.07665 0.12081 -0.02473 -0.04101 -0.01829 167 4ZZ -0.07080 -0.02973 -0.08805 -0.12997 -0.15160 168 4XY 0.06344 0.01722 0.07983 0.13637 -0.01683 169 4XZ -0.01979 0.05385 -0.03833 0.16371 -0.15357 170 4YZ -0.03498 -0.11028 -0.03164 -0.27228 -0.04442 171 21 C 1S 0.01866 0.00000 0.00407 0.00016 -0.03080 172 2S 0.03157 -0.00029 -0.22078 0.00199 -0.43030 173 2PX 0.05181 0.00009 0.08212 0.00005 -0.00017 174 2PY 0.00002 -0.03415 0.00001 0.05470 0.00029 175 2PZ 0.01729 0.00003 0.03870 -0.00003 0.00804 176 3S -0.51431 0.00021 0.03357 -0.00547 1.07742 177 3PX -0.07716 -0.00051 -0.42126 0.00298 -0.65769 178 3PY 0.00003 0.09436 -0.00003 0.02362 -0.00002 179 3PZ 0.25701 -0.00020 0.06388 0.00213 -0.43046 180 4XX -0.00244 0.00024 0.11632 -0.00167 0.36756 181 4YY 0.11648 0.00013 0.18313 -0.00133 0.27661 182 4ZZ -0.11490 -0.00038 -0.30149 0.00301 -0.64637 183 4XY 0.00001 0.02021 0.00003 0.21556 0.00113 184 4XZ 0.14208 0.00023 0.25578 -0.00083 0.20961 185 4YZ 0.00006 -0.23792 0.00013 -0.44912 -0.00202 186 22 H 1S 0.22771 0.00017 0.24605 -0.00004 0.05393 187 2S 0.11560 0.00006 0.09602 0.00036 -0.06356 188 23 H 1S 0.04575 0.00025 0.11318 -0.00139 0.31252 189 2S -0.04621 0.00001 -0.02948 0.00010 -0.02110 151 152 153 154 155 V V V V V Eigenvalues -- 2.23785 2.26190 2.27823 2.27964 2.31629 1 1 C 1S -0.00647 -0.00847 -0.00439 0.02781 0.00777 2 2S -0.14686 -0.39006 0.04770 0.38719 0.16002 3 2PX -0.02351 0.01842 -0.03587 -0.07406 -0.01320 4 2PY 0.03839 0.09395 -0.00259 0.07268 0.00633 5 2PZ -0.03576 0.09675 -0.04368 -0.05695 0.06069 6 3S 1.50100 0.42922 0.07678 -2.98662 -1.41480 7 3PX -0.45522 0.09570 -0.02362 0.60647 -0.09706 8 3PY -0.53494 -0.04452 0.06500 1.03342 0.66525 9 3PZ -0.43708 -0.26793 0.03993 1.62264 0.77777 10 4XX 0.25727 -0.27234 0.05563 0.15047 0.08148 11 4YY 0.02017 0.19175 -0.01872 -0.07054 -0.03555 12 4ZZ -0.20380 0.09438 -0.04925 -0.11206 -0.13086 13 4XY 0.19441 0.04917 -0.06370 0.39403 0.33504 14 4XZ 0.20466 -0.14856 0.11418 -0.06563 0.35998 15 4YZ -0.02494 -0.02057 -0.03401 -0.03800 -0.18246 16 2 C 1S 0.00648 -0.00850 -0.00400 -0.02786 -0.00795 17 2S 0.14736 -0.39014 0.05300 -0.38669 -0.16249 18 2PX 0.02355 0.01839 -0.03688 0.07352 0.01234 19 2PY 0.03857 -0.09386 0.00160 0.07255 0.00451 20 2PZ 0.03568 0.09662 -0.04441 0.05645 -0.06049 21 3S -1.50099 0.43137 0.03475 2.98710 1.41983 22 3PX 0.45519 0.09543 -0.01494 -0.60668 0.09510 23 3PY -0.53550 0.04549 -0.07950 1.03316 0.66651 24 3PZ 0.43706 -0.26880 0.06264 -1.62147 -0.77967 25 4XX -0.25722 -0.27245 0.05763 -0.14946 -0.08176 26 4YY -0.02058 0.19198 -0.01976 0.07051 0.03841 27 4ZZ 0.20419 0.09433 -0.05066 0.11086 0.12762 28 4XY 0.19426 -0.04898 0.05820 0.39516 0.33755 29 4XZ -0.20474 -0.14872 0.11318 0.06775 -0.35553 30 4YZ -0.02512 0.02059 0.03448 -0.03757 -0.18211 31 3 H 1S -0.02386 -0.00361 -0.00414 -0.13777 -0.13554 32 2S 0.16838 0.03377 -0.04679 -0.46611 -0.18510 33 4 H 1S 0.02362 -0.00349 -0.00609 0.13774 0.13551 34 2S -0.16839 0.03404 -0.05333 0.46541 0.18558 35 5 C 1S 0.00555 0.00534 0.00987 -0.03394 -0.00907 36 2S 0.41114 0.13872 -0.07212 -0.39134 -0.43251 37 2PX -0.01149 -0.03070 0.00417 -0.00366 -0.00150 38 2PY -0.10833 0.00058 0.03910 0.01215 0.07774 39 2PZ -0.01848 -0.06471 -0.00291 0.10893 0.08097 40 3S -1.18010 -0.46729 -0.10358 2.70748 1.25705 41 3PX 0.48246 -0.32894 0.09548 -0.41646 0.13522 42 3PY 0.98373 -0.22504 -0.00372 -1.54173 -0.74822 43 3PZ -0.20231 0.05050 -0.01286 0.05295 -0.20947 44 4XX -0.17421 0.21926 0.03337 0.36162 0.08417 45 4YY 0.23217 -0.31161 0.10586 -0.07173 -0.01464 46 4ZZ -0.10857 0.07239 -0.10037 -0.20858 0.00906 47 4XY -0.24407 0.18389 -0.12609 0.10146 -0.24426 48 4XZ 0.04065 -0.04990 0.06667 0.00089 0.11398 49 4YZ 0.18062 -0.17626 0.04807 -0.05639 -0.07004 50 6 H 1S -0.20472 0.25662 -0.03220 0.10106 0.07114 51 2S -0.22802 0.13077 0.00702 0.32825 0.13235 52 7 C 1S -0.00553 0.00536 0.00938 0.03405 0.00916 53 2S -0.41090 0.13921 -0.07782 0.39005 0.43302 54 2PX 0.01151 -0.03075 0.00410 0.00374 0.00155 55 2PY -0.10838 -0.00046 -0.03933 0.01169 0.07804 56 2PZ 0.01853 -0.06486 -0.00138 -0.10892 -0.08150 57 3S 1.17933 -0.46877 -0.06512 -2.70780 -1.26162 58 3PX -0.48241 -0.32892 0.08949 0.41774 -0.13311 59 3PY 0.98330 0.22407 0.02571 -1.54126 -0.75112 60 3PZ 0.20245 0.05042 -0.01195 -0.05346 0.20813 61 4XX 0.17395 0.21896 0.03847 -0.36058 -0.07967 62 4YY -0.23223 -0.31150 0.10480 0.07321 0.01481 63 4ZZ 0.10883 0.07254 -0.10327 0.20669 -0.01373 64 4XY -0.24439 -0.18408 0.12453 0.10357 -0.24031 65 4XZ -0.04102 -0.04987 0.06675 0.00051 -0.11067 66 4YZ 0.18045 0.17579 -0.04710 -0.05688 -0.06864 67 8 H 1S 0.20463 0.25647 -0.03075 -0.10145 -0.07081 68 2S 0.22797 0.13056 0.01169 -0.32814 -0.13350 69 9 C 1S -0.02874 0.01045 -0.00152 0.03966 -0.00494 70 2S -0.20241 0.03210 -0.03785 0.26125 0.17768 71 2PX 0.04027 -0.03763 0.00695 -0.06889 -0.02003 72 2PY 0.01785 -0.02681 0.00366 0.02151 -0.08060 73 2PZ 0.05588 0.02810 -0.00734 -0.06297 -0.00301 74 3S 1.56448 -0.13291 0.11116 -2.23667 -0.71253 75 3PX -0.03483 -0.09353 0.07555 -0.37493 -0.17260 76 3PY -0.42491 0.03969 0.01985 0.42930 -0.10833 77 3PZ 0.23637 -0.12544 0.01535 -0.52984 0.13365 78 4XX -0.11310 0.39896 -0.11625 0.26621 -0.01851 79 4YY 0.04726 0.01879 -0.00686 -0.08583 0.17010 80 4ZZ 0.08146 -0.38821 0.13519 -0.18221 -0.23228 81 4XY -0.19823 -0.12544 0.07451 0.24180 -0.15643 82 4XZ -0.18551 -0.08552 0.06258 -0.08912 0.19388 83 4YZ 0.20795 0.03085 -0.02614 -0.28792 0.10388 84 10 H 1S -0.21162 -0.23737 0.09529 0.07712 0.00330 85 2S -0.02525 0.05165 0.00368 0.05064 0.07228 86 11 H 1S -0.06382 0.21044 -0.07549 0.05376 0.27811 87 2S -0.03957 -0.12923 -0.01697 0.00626 0.07737 88 12 C 1S 0.02872 0.01045 -0.00095 -0.03967 0.00481 89 2S 0.20220 0.03180 -0.03425 -0.26157 -0.17624 90 2PX -0.04025 -0.03760 0.00592 0.06890 0.02011 91 2PY 0.01775 0.02670 -0.00399 0.02160 -0.07981 92 2PZ -0.05575 0.02809 -0.00822 0.06280 0.00313 93 3S -1.56389 -0.13170 0.07938 2.23756 0.71366 94 3PX 0.03487 -0.09385 0.07039 0.37579 0.17432 95 3PY -0.42473 -0.03972 -0.02604 0.42873 -0.10870 96 3PZ -0.23613 -0.12575 0.00774 0.53010 -0.13410 97 4XX 0.11353 0.39879 -0.11232 -0.26791 0.02064 98 4YY -0.04743 0.01874 -0.00823 0.08582 -0.17270 99 4ZZ -0.08172 -0.38789 0.13267 0.18405 0.23216 100 4XY -0.19805 0.12549 -0.07796 0.24052 -0.15643 101 4XZ 0.18561 -0.08546 0.06112 0.08993 -0.19385 102 4YZ 0.20745 -0.03058 0.03001 -0.28714 0.10524 103 13 H 1S 0.06445 0.21007 -0.07470 -0.05511 -0.27916 104 2S 0.03947 -0.12946 -0.01702 -0.00642 -0.07754 105 14 H 1S 0.21114 -0.23752 0.09631 -0.07560 -0.00354 106 2S 0.02520 0.05136 0.00449 -0.05048 -0.07115 107 15 C 1S 0.01492 0.00357 0.01765 0.01613 0.00404 108 2S 0.27116 0.32004 0.13093 0.31417 -0.15386 109 2PX 0.02218 0.03452 -0.07168 0.03285 -0.05178 110 2PY 0.03747 -0.14705 -0.10703 0.01001 0.00862 111 2PZ 0.05498 0.06931 -0.01775 0.03496 -0.07486 112 3S -0.87026 -0.06850 -0.32675 -1.38126 0.27066 113 3PX -0.17266 -0.29384 -0.21138 -0.07963 0.39932 114 3PY 0.17979 0.40667 0.11198 0.43436 -0.34134 115 3PZ -0.28357 -0.23836 -0.04856 -0.47164 0.21984 116 4XX -0.07190 0.00511 -0.28063 -0.08062 0.09124 117 4YY -0.03107 -0.19698 -0.10288 -0.01343 -0.01258 118 4ZZ 0.09164 0.16771 0.42895 0.05479 -0.04967 119 4XY -0.17031 -0.08318 -0.13827 -0.15473 0.14742 120 4XZ -0.19328 -0.05474 -0.02401 0.02627 0.22277 121 4YZ 0.09590 -0.03705 0.00751 0.13046 -0.07122 122 16 H 1S 0.04531 -0.13405 -0.09963 0.01042 0.03305 123 2S -0.06041 -0.12917 0.02383 -0.07235 0.17642 124 17 C 1S -0.01495 0.00357 0.01788 -0.01587 -0.00403 125 2S -0.27180 0.32010 0.13560 -0.31226 0.15431 126 2PX -0.02215 0.03454 -0.07115 -0.03390 0.05149 127 2PY 0.03721 0.14706 0.10688 0.01148 0.00855 128 2PZ -0.05503 0.06933 -0.01720 -0.03527 0.07477 129 3S 0.87088 -0.06859 -0.34718 1.37639 -0.27145 130 3PX 0.17276 -0.29426 -0.21281 0.07686 -0.39855 131 3PY 0.18041 -0.40690 -0.11865 0.43288 -0.34119 132 3PZ 0.28415 -0.23842 -0.05563 0.47089 -0.22033 133 4XX 0.07178 0.00512 -0.28174 0.07674 -0.09071 134 4YY 0.03129 -0.19697 -0.10303 0.01209 0.01292 135 4ZZ -0.09170 0.16769 0.42966 -0.04894 0.04850 136 4XY -0.17020 0.08320 0.14031 -0.15286 0.14686 137 4XZ 0.19344 -0.05501 -0.02397 -0.02653 -0.22295 138 4YZ 0.09573 0.03715 -0.00918 0.13035 -0.07095 139 18 H 1S -0.04519 -0.13405 -0.09949 -0.01181 -0.03283 140 2S 0.06070 -0.12923 0.02264 0.07277 -0.17658 141 19 O 1S -0.01239 0.00446 -0.00620 -0.00408 0.01621 142 2S 0.03748 -0.00547 -0.18245 -0.11994 -0.13109 143 2PX -0.06424 -0.03369 -0.06784 0.03129 0.09279 144 2PY -0.05320 0.03864 0.05792 -0.02344 0.06830 145 2PZ -0.02207 -0.04168 -0.02257 -0.01186 0.02143 146 3S 0.28067 -0.04610 0.43384 0.47761 -0.11581 147 3PX -0.01113 -0.09514 0.00024 -0.18756 -0.12816 148 3PY 0.01968 -0.01283 -0.15654 -0.03206 -0.01881 149 3PZ -0.11918 0.05787 -0.08946 -0.06503 0.08286 150 4XX 0.02289 -0.11830 -0.39519 0.04431 0.02154 151 4YY -0.06190 -0.00248 -0.02980 -0.08248 0.00976 152 4ZZ 0.02286 0.12613 0.36585 0.01621 -0.00395 153 4XY -0.08476 0.00361 -0.07765 -0.07138 0.08465 154 4XZ -0.15843 0.00916 0.30474 -0.16116 0.12789 155 4YZ 0.12162 -0.04274 -0.14741 0.05172 -0.12180 156 20 O 1S 0.01238 0.00445 -0.00627 0.00399 -0.01624 157 2S -0.03728 -0.00532 -0.18405 0.11742 0.13123 158 2PX 0.06424 -0.03380 -0.06746 -0.03223 -0.09281 159 2PY -0.05311 -0.03862 -0.05758 -0.02427 0.06826 160 2PZ 0.02216 -0.04168 -0.02280 0.01154 -0.02137 161 3S -0.28106 -0.04611 0.44072 -0.47170 0.11594 162 3PX 0.01139 -0.09506 -0.00241 0.18754 0.12805 163 3PY 0.01955 0.01281 0.15699 -0.02983 -0.01871 164 3PZ 0.11909 0.05778 -0.09029 0.06379 -0.08315 165 4XX -0.02313 -0.11836 -0.39462 -0.04968 -0.02033 166 4YY 0.06201 -0.00242 -0.03083 0.08212 -0.00988 167 4ZZ -0.02272 0.12611 0.36599 -0.01129 0.00264 168 4XY -0.08463 -0.00362 0.07866 -0.07027 0.08430 169 4XZ 0.15862 0.00912 0.30227 0.16538 -0.12846 170 4YZ 0.12165 0.04275 0.14691 0.05361 -0.12266 171 21 C 1S 0.00001 -0.02077 0.00189 0.00001 0.00000 172 2S 0.00011 -0.16599 -0.25820 -0.00187 0.00005 173 2PX 0.00001 -0.04631 0.09845 0.00072 0.00002 174 2PY 0.01198 -0.00002 0.00000 -0.00287 -0.00334 175 2PZ -0.00002 0.00935 0.03888 0.00025 -0.00005 176 3S -0.00022 0.59084 0.04533 0.00038 -0.00015 177 3PX 0.00016 -0.13822 -0.11291 -0.00089 -0.00034 178 3PY -0.02061 -0.00010 -0.00020 0.01962 0.07511 179 3PZ 0.00019 -0.51432 -0.29770 -0.00193 0.00077 180 4XX -0.00014 0.09861 -0.16275 -0.00109 0.00040 181 4YY 0.00001 0.13462 0.16136 0.00118 -0.00011 182 4ZZ 0.00013 -0.25354 0.02381 0.00010 -0.00021 183 4XY -0.06886 0.00004 0.00028 -0.02983 0.01255 184 4XZ -0.00003 0.12396 0.41528 0.00283 -0.00057 185 4YZ 0.30609 -0.00009 -0.00120 0.18060 -0.26788 186 22 H 1S -0.00001 -0.03513 0.21431 0.00146 -0.00016 187 2S 0.00003 -0.19391 -0.14012 -0.00088 0.00050 188 23 H 1S -0.00012 0.17703 -0.00072 -0.00002 0.00007 189 2S -0.00003 0.09361 0.15836 0.00103 -0.00034 156 157 158 159 160 V V V V V Eigenvalues -- 2.31861 2.37240 2.41460 2.44860 2.45990 1 1 C 1S -0.01393 -0.00046 0.02119 0.02172 0.01323 2 2S -0.19203 -0.19478 0.13254 0.14264 0.00277 3 2PX -0.06996 0.00134 -0.01410 -0.00983 0.00464 4 2PY 0.14394 -0.04811 0.14063 0.00514 0.02420 5 2PZ 0.01691 0.09983 -0.10354 -0.01276 0.03388 6 3S 0.39169 0.42338 -0.31359 -0.75940 -0.57072 7 3PX -0.16622 0.00423 0.11292 0.10230 0.02944 8 3PY -0.08367 0.10524 0.32862 -0.11506 -0.19353 9 3PZ -0.15347 -0.45748 0.21083 0.39538 0.18505 10 4XX -0.03238 -0.06883 0.25865 0.15986 0.10664 11 4YY 0.23322 -0.08407 -0.17484 0.11143 0.09003 12 4ZZ -0.25285 0.11738 -0.06462 -0.27123 -0.18635 13 4XY -0.19297 0.00257 -0.39756 -0.05004 -0.07088 14 4XZ 0.35713 -0.21518 0.13243 -0.15066 -0.12174 15 4YZ -0.01877 -0.24318 0.27186 -0.06892 -0.05052 16 2 C 1S -0.01381 0.00046 -0.02121 0.02173 0.01320 17 2S -0.18981 0.19504 -0.13229 0.14305 0.00330 18 2PX -0.07019 -0.00140 0.01413 -0.00982 0.00456 19 2PY -0.14395 -0.04805 0.14078 -0.00511 -0.02409 20 2PZ 0.01778 -0.09992 0.10348 -0.01291 0.03372 21 3S 0.37024 -0.42332 0.31437 -0.75857 -0.57082 22 3PX -0.16643 -0.00426 -0.11285 0.10170 0.02943 23 3PY 0.07401 0.10489 0.32819 0.11438 0.19355 24 3PZ -0.14218 0.45769 -0.21096 0.39438 0.18560 25 4XX -0.03157 0.06882 -0.25892 0.15984 0.10652 26 4YY 0.23255 0.08415 0.17441 0.11143 0.09022 27 4ZZ -0.25420 -0.11750 0.06532 -0.27122 -0.18658 28 4XY 0.18824 0.00258 -0.39759 0.04969 0.07056 29 4XZ 0.36125 0.21548 -0.13239 -0.15090 -0.12146 30 4YZ 0.02148 -0.24323 0.27186 0.06928 0.05086 31 3 H 1S -0.00661 0.15580 -0.08282 0.16552 0.16417 32 2S 0.03513 -0.02841 -0.13021 -0.09805 -0.01899 33 4 H 1S -0.00831 -0.15596 0.08252 0.16571 0.16409 34 2S 0.03224 0.02834 0.13019 -0.09781 -0.01907 35 5 C 1S 0.00699 0.00117 0.04140 -0.04634 -0.04083 36 2S 0.04312 0.08540 0.23438 -0.11430 -0.13619 37 2PX 0.00239 -0.03653 0.17547 -0.06168 -0.05384 38 2PY -0.02419 0.01557 -0.00073 -0.06358 -0.04916 39 2PZ -0.04362 -0.06765 0.20422 -0.03147 -0.03693 40 3S -0.35557 -0.97713 -1.35380 1.45049 1.20378 41 3PX 0.18358 0.14005 0.40508 -0.23066 -0.07829 42 3PY 0.20833 0.25275 0.54551 -0.40251 -0.31103 43 3PZ -0.07899 0.16985 0.13622 0.04505 0.04089 44 4XX 0.38273 0.02006 0.22987 -0.20309 -0.10565 45 4YY -0.00920 -0.27806 0.03606 0.38118 0.18549 46 4ZZ -0.37520 0.17788 -0.21963 -0.20000 -0.10044 47 4XY -0.30963 -0.12108 -0.19722 0.27565 0.14383 48 4XZ 0.27559 -0.12368 -0.06790 0.25995 0.20470 49 4YZ -0.11915 -0.24573 -0.02838 -0.03959 -0.02800 50 6 H 1S 0.03905 0.18861 0.01161 -0.30290 -0.18050 51 2S -0.08755 -0.06082 -0.08238 0.13079 0.07498 52 7 C 1S 0.00682 -0.00114 -0.04134 -0.04632 -0.04077 53 2S 0.03707 -0.08540 -0.23443 -0.11284 -0.13553 54 2PX 0.00227 0.03658 -0.17535 -0.06186 -0.05381 55 2PY 0.02315 0.01552 -0.00080 0.06391 0.04930 56 2PZ -0.04263 0.06772 -0.20422 -0.03163 -0.03709 57 3S -0.33629 0.97666 1.35236 1.44816 1.20260 58 3PX 0.18433 -0.13986 -0.40479 -0.23138 -0.07874 59 3PY -0.19653 0.25269 0.54520 0.40102 0.31061 60 3PZ -0.08127 -0.16982 -0.13642 0.04411 0.04154 61 4XX 0.38412 -0.01967 -0.22998 -0.20343 -0.10566 62 4YY -0.01000 0.27805 -0.03635 0.38119 0.18553 63 4ZZ -0.37480 -0.17822 0.22009 -0.20006 -0.10047 64 4XY 0.31218 -0.12076 -0.19691 -0.27629 -0.14374 65 4XZ 0.27723 0.12370 0.06729 0.25997 0.20474 66 4YZ 0.12058 -0.24559 -0.02880 0.03966 0.02790 67 8 H 1S 0.04034 -0.18847 -0.01132 -0.30307 -0.18037 68 2S -0.08537 0.06078 0.08222 0.13051 0.07490 69 9 C 1S -0.00989 -0.04396 -0.06539 0.02761 0.01965 70 2S 0.10937 -0.18048 -0.40595 0.12450 0.14299 71 2PX 0.00178 0.00916 0.05081 -0.04283 -0.03784 72 2PY -0.06489 -0.06958 -0.10561 -0.02633 -0.04186 73 2PZ 0.01196 0.04644 0.02775 -0.07774 -0.05029 74 3S 0.09487 1.42351 2.42223 -0.74674 -0.59019 75 3PX 0.12591 0.47725 0.45786 -0.37515 -0.28636 76 3PY 0.04203 -0.52463 -0.55159 -0.08892 -0.04095 77 3PZ -0.02864 0.39689 0.84784 -0.25894 -0.22538 78 4XX 0.18731 -0.02654 0.01773 0.04405 0.05119 79 4YY -0.19380 0.18646 0.25460 0.11368 0.04786 80 4ZZ -0.03823 -0.19253 -0.30044 -0.14091 -0.10819 81 4XY -0.00098 -0.41661 0.17614 -0.07097 -0.07456 82 4XZ 0.02067 0.23401 0.40896 -0.33622 -0.26528 83 4YZ -0.13216 -0.15100 0.11136 -0.03610 -0.03347 84 10 H 1S -0.03999 -0.10045 -0.04581 -0.08605 -0.07813 85 2S 0.09374 0.14568 -0.05679 -0.04091 -0.01075 86 11 H 1S -0.06160 0.05049 0.15289 0.04274 0.02734 87 2S -0.02049 0.04198 0.03883 0.00954 0.00218 88 12 C 1S -0.00989 0.04395 0.06535 0.02769 0.01965 89 2S 0.11200 0.18033 0.40582 0.12462 0.14315 90 2PX 0.00143 -0.00908 -0.05070 -0.04277 -0.03769 91 2PY 0.06583 -0.06959 -0.10564 0.02610 0.04191 92 2PZ 0.01184 -0.04651 -0.02775 -0.07773 -0.05030 93 3S 0.08238 -1.42316 -2.42149 -0.74772 -0.58998 94 3PX 0.12312 -0.47670 -0.45718 -0.37639 -0.28600 95 3PY -0.04147 -0.52444 -0.55126 0.08871 0.04077 96 3PZ -0.02761 -0.39719 -0.84794 -0.25906 -0.22599 97 4XX 0.18764 0.02674 -0.01783 0.04540 0.05051 98 4YY -0.19204 -0.18652 -0.25476 0.11303 0.04790 99 4ZZ -0.04133 0.19241 0.30065 -0.14141 -0.10759 100 4XY 0.00264 -0.41659 0.17630 0.07175 0.07415 101 4XZ 0.02304 -0.23400 -0.40856 -0.33687 -0.26522 102 4YZ 0.13158 -0.15119 0.11075 0.03611 0.03428 103 13 H 1S -0.05808 -0.05068 -0.15291 0.04306 0.02654 104 2S -0.01941 -0.04189 -0.03881 0.00948 0.00227 105 14 H 1S -0.03991 0.10073 0.04601 -0.08697 -0.07742 106 2S 0.09462 -0.14570 0.05676 -0.04112 -0.01110 107 15 C 1S 0.00088 0.00842 -0.00474 0.00027 0.01216 108 2S 0.04022 0.36719 0.19112 -0.20252 0.13002 109 2PX -0.01640 0.01830 0.02790 0.02978 0.03601 110 2PY 0.00405 0.02386 0.00949 0.04400 -0.06331 111 2PZ -0.00421 0.08000 0.06929 -0.02457 0.00183 112 3S -0.06011 -1.19209 -0.22144 0.16892 -0.29183 113 3PX 0.05021 -0.19461 -0.02660 -0.07270 -0.08934 114 3PY -0.00360 0.59558 0.14932 -0.01790 0.03940 115 3PZ -0.04814 -0.35979 -0.08293 0.10268 -0.26614 116 4XX 0.03346 -0.12225 -0.08444 -0.14947 0.21472 117 4YY 0.02155 -0.01834 0.00078 0.06674 -0.04073 118 4ZZ -0.07656 0.06569 0.03472 0.15169 -0.17655 119 4XY 0.03574 -0.06413 -0.01413 -0.02636 0.02701 120 4XZ -0.00259 -0.09707 -0.02489 0.08348 -0.13322 121 4YZ -0.02088 -0.01504 -0.01859 0.00561 -0.03185 122 16 H 1S 0.00784 -0.04330 -0.02862 -0.08315 0.05824 123 2S -0.01675 -0.13930 -0.05028 0.04963 -0.09736 124 17 C 1S 0.00095 -0.00844 0.00473 0.00018 0.01217 125 2S 0.03848 -0.36743 -0.19121 -0.20403 0.12863 126 2PX -0.01696 -0.01828 -0.02788 0.02976 0.03574 127 2PY -0.00417 0.02375 0.00942 -0.04371 0.06306 128 2PZ -0.00513 -0.08000 -0.06928 -0.02483 0.00152 129 3S -0.05802 1.19242 0.22158 0.17590 -0.29065 130 3PX 0.05491 0.19472 0.02672 -0.07211 -0.09042 131 3PY 0.00730 0.59582 0.14951 0.02090 -0.04000 132 3PZ -0.04596 0.35986 0.08299 0.10504 -0.26512 133 4XX 0.03459 0.12227 0.08451 -0.14938 0.21435 134 4YY 0.02136 0.01840 -0.00076 0.06708 -0.04109 135 4ZZ -0.07715 -0.06573 -0.03482 0.15149 -0.17556 136 4XY -0.03735 -0.06418 -0.01418 0.02660 -0.02788 137 4XZ 0.00027 0.09719 0.02493 0.08339 -0.13316 138 4YZ 0.02147 -0.01510 -0.01862 -0.00605 0.03240 139 18 H 1S 0.00823 0.04336 0.02870 -0.08288 0.05776 140 2S -0.01466 0.13926 0.05028 0.05037 -0.09739 141 19 O 1S -0.00197 -0.00997 -0.00039 -0.00029 -0.00140 142 2S 0.00721 0.05965 0.09281 -0.04573 -0.07357 143 2PX -0.00192 -0.06185 -0.03361 -0.03642 0.04351 144 2PY 0.00492 -0.02894 -0.01158 0.01817 -0.00059 145 2PZ 0.00454 -0.01779 -0.01644 0.01278 -0.04434 146 3S 0.01073 0.20604 -0.11776 0.07863 0.24076 147 3PX -0.00988 0.02382 0.06054 0.19535 -0.30203 148 3PY -0.00898 -0.02842 0.04094 -0.07143 -0.04041 149 3PZ -0.01509 -0.07308 0.01738 -0.08166 0.13249 150 4XX 0.08077 0.01588 -0.01837 -0.08841 0.09053 151 4YY -0.00842 -0.03683 -0.02049 -0.00550 0.05398 152 4ZZ -0.08894 -0.00541 0.04703 0.09321 -0.14428 153 4XY 0.02106 -0.07598 -0.02410 -0.19278 0.25653 154 4XZ -0.04446 -0.15704 -0.10817 0.00661 0.00210 155 4YZ 0.06678 0.12434 0.02257 0.22357 -0.34985 156 20 O 1S -0.00177 0.00997 0.00039 -0.00028 -0.00140 157 2S 0.00543 -0.05963 -0.09269 -0.04561 -0.07402 158 2PX -0.00071 0.06188 0.03365 -0.03634 0.04355 159 2PY -0.00574 -0.02891 -0.01154 -0.01813 0.00040 160 2PZ 0.00481 0.01783 0.01648 0.01279 -0.04421 161 3S 0.00982 -0.20617 0.11745 0.07727 0.24128 162 3PX -0.01169 -0.02373 -0.06056 0.19586 -0.30187 163 3PY 0.00924 -0.02844 0.04078 0.07117 0.04103 164 3PZ -0.01414 0.07312 -0.01737 -0.08141 0.13198 165 4XX 0.08107 -0.01588 0.01842 -0.08878 0.09014 166 4YY -0.00840 0.03693 0.02051 -0.00536 0.05436 167 4ZZ -0.08892 0.00531 -0.04706 0.09354 -0.14431 168 4XY -0.02206 -0.07587 -0.02414 0.19268 -0.25661 169 4XZ -0.04298 0.15701 0.10817 0.00711 0.00261 170 4YZ -0.06531 0.12427 0.02268 -0.22321 0.34908 171 21 C 1S -0.00062 0.00000 0.00000 0.01083 -0.00766 172 2S 0.01193 0.00007 0.00006 -0.07478 -0.05413 173 2PX -0.00222 0.00001 -0.00003 0.07595 -0.00541 174 2PY 0.00002 0.00348 0.03748 0.00003 0.00005 175 2PZ -0.00923 -0.00001 -0.00002 0.01256 0.00980 176 3S -0.01689 -0.00014 0.00007 -0.27359 0.26627 177 3PX -0.04744 0.00008 0.00003 -0.04694 0.01677 178 3PY -0.00046 -0.00975 0.00780 0.00015 0.00001 179 3PZ 0.09364 0.00011 0.00005 0.08556 -0.16232 180 4XX 0.06689 0.00000 -0.00009 0.29383 -0.46652 181 4YY -0.00054 0.00002 -0.00001 -0.02652 0.07565 182 4ZZ -0.05748 -0.00004 0.00008 -0.24239 0.40590 183 4XY -0.00010 -0.08093 -0.05165 -0.00034 0.00014 184 4XZ -0.08194 -0.00007 0.00008 -0.31870 0.50169 185 4YZ 0.00159 0.23658 0.05637 0.00027 -0.00010 186 22 H 1S -0.02864 -0.00004 0.00004 -0.16032 0.26489 187 2S 0.06640 0.00004 -0.00003 0.15927 -0.19507 188 23 H 1S 0.02416 0.00000 -0.00008 0.21041 -0.31986 189 2S -0.04652 -0.00004 -0.00001 -0.07610 0.17228 161 162 163 164 165 V V V V V Eigenvalues -- 2.46406 2.48233 2.51090 2.55041 2.59078 1 1 C 1S 0.00591 -0.01128 0.03359 -0.00080 0.00614 2 2S 0.26013 -0.07272 0.50558 0.00707 -0.26943 3 2PX -0.02308 -0.02236 -0.01195 -0.00402 -0.01090 4 2PY 0.00804 -0.03010 0.09935 -0.01646 -0.04627 5 2PZ -0.08622 0.00361 -0.19658 0.02239 0.13525 6 3S -0.18455 0.24979 0.15513 -0.34784 -0.00160 7 3PX -0.04571 0.14540 -0.34415 0.04141 0.09675 8 3PY -0.07737 0.15880 0.43009 -0.09084 -0.02873 9 3PZ 0.23409 -0.03374 -0.35050 0.25898 0.00372 10 4XX 0.09192 -0.09093 0.25628 -0.02154 0.06755 11 4YY 0.00085 0.04012 -0.15241 0.02370 0.00961 12 4ZZ -0.15096 0.04488 -0.15496 -0.01752 0.00479 13 4XY 0.06420 0.00802 0.02015 -0.01092 0.00500 14 4XZ 0.02367 0.05542 -0.14292 0.05770 -0.03974 15 4YZ -0.08443 -0.01283 -0.04078 -0.05365 0.09436 16 2 C 1S -0.00592 0.01130 -0.03355 0.00077 0.00611 17 2S -0.26045 0.07279 -0.50536 -0.00697 -0.26907 18 2PX 0.02312 0.02237 0.01186 0.00400 -0.01090 19 2PY 0.00795 -0.03013 0.09940 -0.01661 0.04631 20 2PZ 0.08633 -0.00357 0.19665 -0.02260 0.13504 21 3S 0.18432 -0.25077 -0.15625 0.34815 0.00061 22 3PX 0.04569 -0.14541 0.34472 -0.04152 0.09618 23 3PY -0.07696 0.15911 0.42986 -0.09070 0.02915 24 3PZ -0.23428 0.03405 0.35155 -0.25927 0.00283 25 4XX -0.09196 0.09112 -0.25594 0.02135 0.06732 26 4YY -0.00076 -0.04003 0.15252 -0.02362 0.00988 27 4ZZ 0.15094 -0.04513 0.15453 0.01759 0.00467 28 4XY 0.06423 0.00815 0.02023 -0.01088 -0.00529 29 4XZ -0.02386 -0.05555 0.14258 -0.05768 -0.03974 30 4YZ -0.08448 -0.01271 -0.04088 -0.05345 -0.09450 31 3 H 1S 0.04754 -0.08426 0.14954 0.00694 -0.03565 32 2S -0.05825 -0.05782 0.00362 -0.04977 -0.00698 33 4 H 1S -0.04742 0.08454 -0.14941 -0.00688 -0.03573 34 2S 0.05833 0.05783 -0.00400 0.04983 -0.00670 35 5 C 1S 0.02519 0.01460 0.05074 -0.00060 -0.01790 36 2S 0.37473 0.05215 1.35988 -0.30833 -0.07802 37 2PX 0.05365 -0.00880 0.04873 0.04027 -0.01669 38 2PY -0.08967 0.03666 -0.26543 0.08175 -0.01833 39 2PZ -0.00645 -0.03272 0.05691 0.01835 0.04300 40 3S -0.92592 -0.28714 -3.35934 0.33187 0.42761 41 3PX 0.05921 -0.22970 0.14427 0.10550 -0.00045 42 3PY 0.57302 -0.21218 1.97214 -0.27963 -0.26173 43 3PZ 0.38498 -0.01470 -0.07896 0.27487 -0.01265 44 4XX 0.05119 -0.00705 -0.02802 0.05672 -0.01808 45 4YY -0.01547 0.01989 -0.02855 -0.02541 -0.16641 46 4ZZ -0.06286 -0.00062 -0.22488 0.06576 0.19187 47 4XY -0.15022 0.02488 0.04554 -0.11435 -0.04499 48 4XZ -0.03777 0.03475 -0.07059 -0.01876 0.11956 49 4YZ 0.02557 0.00007 -0.02003 -0.01532 -0.05959 50 6 H 1S 0.03269 0.07592 -0.08019 0.04843 0.08554 51 2S -0.14728 0.08490 -0.41558 0.09958 0.05696 52 7 C 1S -0.02520 -0.01467 -0.05083 0.00064 -0.01784 53 2S -0.37457 -0.05252 -1.36008 0.30862 -0.07687 54 2PX -0.05370 0.00869 -0.04884 -0.04028 -0.01666 55 2PY -0.08963 0.03671 -0.26526 0.08166 0.01852 56 2PZ 0.00633 0.03263 -0.05694 -0.01849 0.04302 57 3S 0.92588 0.28941 3.36227 -0.33356 0.42402 58 3PX -0.05882 0.22969 -0.14472 -0.10537 -0.00018 59 3PY 0.57334 -0.21176 1.97315 -0.27978 0.25966 60 3PZ -0.38433 0.01458 0.07934 -0.27455 -0.01287 61 4XX -0.05123 0.00693 0.02780 -0.05661 -0.01801 62 4YY 0.01529 -0.01961 0.02896 0.02559 -0.16657 63 4ZZ 0.06299 0.00046 0.22467 -0.06609 0.19176 64 4XY -0.15022 0.02463 0.04515 -0.11437 0.04491 65 4XZ 0.03761 -0.03437 0.07117 0.01843 0.11931 66 4YZ 0.02561 0.00007 -0.02003 -0.01541 0.05933 67 8 H 1S -0.03256 -0.07626 0.07983 -0.04841 0.08552 68 2S 0.14737 -0.08481 0.41588 -0.09947 0.05654 69 9 C 1S -0.03942 0.01911 -0.05934 -0.02280 0.01119 70 2S -0.22520 0.12091 -0.62848 -0.30963 0.06266 71 2PX 0.03936 0.02023 0.08232 -0.08453 -0.02804 72 2PY -0.04878 0.02430 0.01852 -0.03700 -0.04629 73 2PZ 0.01624 -0.00570 0.04549 0.00691 -0.02319 74 3S 1.61712 -0.65055 3.58657 0.85287 -0.27665 75 3PX 0.67873 -0.25622 0.36123 0.79636 -0.14065 76 3PY -0.41702 0.33064 -0.95396 -0.26319 0.01749 77 3PZ 0.00516 -0.00476 0.90810 -0.27142 -0.08436 78 4XX -0.49425 0.11718 0.24233 -0.31465 -0.01627 79 4YY 0.14929 -0.08605 0.00052 0.11127 -0.01326 80 4ZZ 0.33108 -0.01943 -0.14438 0.26059 0.04207 81 4XY 0.18527 0.02839 -0.21214 0.05964 -0.06263 82 4XZ 0.11269 -0.01662 -0.02171 0.13526 -0.05713 83 4YZ -0.37740 0.05280 -0.18143 -0.13090 -0.01917 84 10 H 1S 0.33626 -0.05027 -0.39314 0.27351 -0.02129 85 2S -0.01507 -0.07698 -0.07884 0.18945 -0.00022 86 11 H 1S -0.45611 0.09762 -0.08257 -0.31380 0.00652 87 2S 0.06287 -0.04384 0.06265 -0.05515 -0.01002 88 12 C 1S 0.03940 -0.01908 0.05940 0.02278 0.01112 89 2S 0.22544 -0.12062 0.62882 0.30946 0.06216 90 2PX -0.03930 -0.02029 -0.08245 0.08461 -0.02792 91 2PY -0.04868 0.02439 0.01866 -0.03707 0.04635 92 2PZ -0.01623 0.00559 -0.04564 -0.00683 -0.02311 93 3S -1.61682 0.64942 -3.58834 -0.85187 -0.27306 94 3PX -0.67879 0.25557 -0.36160 -0.79604 -0.14045 95 3PY -0.41751 0.33079 -0.95331 -0.26372 -0.01648 96 3PZ -0.00569 0.00474 -0.90933 0.27114 -0.08357 97 4XX 0.49441 -0.11713 -0.24206 0.31475 -0.01613 98 4YY -0.14893 0.08607 -0.00029 -0.11106 -0.01306 99 4ZZ -0.33172 0.01933 0.14389 -0.26089 0.04177 100 4XY 0.18571 0.02842 -0.21193 0.05978 0.06275 101 4XZ -0.11222 0.01610 0.02084 -0.13476 -0.05708 102 4YZ -0.37727 0.05289 -0.18158 -0.13077 0.01927 103 13 H 1S 0.45617 -0.09753 0.08279 0.31375 0.00654 104 2S -0.06301 0.04393 -0.06273 0.05500 -0.01009 105 14 H 1S -0.33645 0.05015 0.39289 -0.27350 -0.02161 106 2S 0.01502 0.07693 0.07885 -0.18946 -0.00039 107 15 C 1S -0.00209 0.01728 -0.04819 -0.00497 0.03525 108 2S -0.31561 -0.27716 -0.86540 0.23709 0.02523 109 2PX -0.08216 -0.05397 -0.10802 -0.02425 -0.21276 110 2PY 0.04986 0.15668 -0.11591 -0.15360 -0.14398 111 2PZ -0.07614 -0.03805 -0.18677 -0.02762 -0.07875 112 3S 0.49757 -0.67514 3.60497 0.15567 -0.72621 113 3PX -0.00211 -0.79749 0.36857 0.77027 -0.38403 114 3PY 0.06841 0.67811 -1.45878 -0.33657 0.20894 115 3PZ 0.48435 -0.09301 1.56835 0.42293 -0.54839 116 4XX 0.04154 -0.38370 0.04993 -0.24747 -0.08918 117 4YY -0.08116 -0.23535 0.13770 0.23379 0.08964 118 4ZZ 0.10147 0.66143 -0.03942 -0.00363 0.04296 119 4XY 0.24104 0.17479 0.00369 -0.43034 0.04991 120 4XZ -0.05400 0.05152 -0.13018 0.07105 -0.38276 121 4YZ -0.27267 0.03694 0.05433 0.38538 0.02210 122 16 H 1S -0.06756 -0.22016 0.12502 0.21404 0.04126 123 2S 0.04519 -0.13815 0.45801 0.20317 -0.21095 124 17 C 1S 0.00211 -0.01726 0.04822 0.00494 0.03521 125 2S 0.31585 0.27748 0.86458 -0.23733 0.02466 126 2PX 0.08227 0.05404 0.10802 0.02440 -0.21294 127 2PY 0.05002 0.15673 -0.11600 -0.15370 0.14406 128 2PZ 0.07619 0.03806 0.18666 0.02773 -0.07897 129 3S -0.49807 0.67457 -3.60495 -0.15500 -0.72429 130 3PX 0.00173 0.79757 -0.36879 -0.77050 -0.38393 131 3PY 0.06826 0.67825 -1.45883 -0.33674 -0.20818 132 3PZ -0.48520 0.09262 -1.56808 -0.42291 -0.54767 133 4XX -0.04084 0.38396 -0.05030 0.24760 -0.08907 134 4YY 0.08098 0.23535 -0.13730 -0.23363 0.08980 135 4ZZ -0.10203 -0.66173 0.03972 0.00337 0.04274 136 4XY 0.24094 0.17470 0.00372 -0.43042 -0.05013 137 4XZ 0.05355 -0.05158 0.13014 -0.07093 -0.38297 138 4YZ -0.27259 0.03674 0.05438 0.38540 -0.02213 139 18 H 1S 0.06775 0.22031 -0.12514 -0.21409 0.04136 140 2S -0.04561 0.13807 -0.45795 -0.20335 -0.21072 141 19 O 1S 0.00431 -0.00645 0.00305 -0.00865 -0.05992 142 2S -0.05264 -0.12605 0.01288 0.09598 -0.88782 143 2PX 0.00553 -0.01806 0.02177 -0.00403 -0.02163 144 2PY 0.04876 0.04543 0.02112 -0.04002 0.08839 145 2PZ 0.00582 0.07360 0.00274 -0.02446 -0.01893 146 3S -0.14192 0.46336 -0.69097 -0.28343 2.91851 147 3PX 0.07705 0.05988 0.31793 0.14795 -0.12662 148 3PY -0.11273 -0.20591 -0.01345 0.04853 -1.22943 149 3PZ -0.02298 -0.34427 0.10234 0.12661 -0.15601 150 4XX 0.08704 -0.43078 -0.12641 -0.24995 -0.20941 151 4YY 0.04348 0.03496 0.15341 0.01671 0.38883 152 4ZZ -0.11179 0.32986 0.01621 0.21009 -0.45712 153 4XY 0.01654 0.01581 0.06758 -0.04710 -0.07628 154 4XZ 0.03094 0.14797 0.32962 0.17590 0.29685 155 4YZ 0.16131 0.30263 -0.06282 -0.16865 0.11673 156 20 O 1S -0.00432 0.00646 -0.00308 0.00866 -0.05993 157 2S 0.05246 0.12607 -0.01338 -0.09578 -0.88808 158 2PX -0.00540 0.01814 -0.02186 0.00400 -0.02162 159 2PY 0.04880 0.04543 0.02108 -0.04002 -0.08842 160 2PZ -0.00592 -0.07366 -0.00268 0.02448 -0.01891 161 3S 0.14272 -0.46348 0.69268 0.28282 2.91897 162 3PX -0.07788 -0.06037 -0.31758 -0.14788 -0.12649 163 3PY -0.11261 -0.20598 -0.01285 0.04830 1.22972 164 3PZ 0.02334 0.34452 -0.10273 -0.12663 -0.15640 165 4XX -0.08674 0.43091 0.12620 0.24993 -0.20936 166 4YY -0.04319 -0.03474 -0.15329 -0.01671 0.38895 167 4ZZ 0.11116 -0.33013 -0.01632 -0.21003 -0.45731 168 4XY 0.01580 0.01535 0.06794 -0.04718 0.07637 169 4XZ -0.03096 -0.14808 -0.32941 -0.17604 0.29712 170 4YZ 0.16240 0.30297 -0.06321 -0.16876 -0.11705 171 21 C 1S -0.00001 -0.00001 0.00004 -0.00001 0.06993 172 2S -0.00003 0.00006 -0.00017 0.00000 -0.52142 173 2PX -0.00001 -0.00007 0.00021 -0.00005 0.55429 174 2PY -0.03669 0.03960 -0.07817 -0.03367 0.00015 175 2PZ 0.00002 -0.00003 0.00010 0.00001 0.23186 176 3S 0.00031 0.00034 -0.00085 0.00028 -2.02850 177 3PX 0.00010 -0.00001 0.00014 -0.00010 0.79006 178 3PY -0.01461 0.01460 -0.18203 -0.15528 0.00007 179 3PZ -0.00018 -0.00006 0.00026 -0.00002 0.12666 180 4XX -0.00072 -0.00034 0.00018 0.00001 -0.23331 181 4YY 0.00010 0.00012 -0.00011 0.00001 0.04858 182 4ZZ 0.00062 0.00019 0.00001 -0.00002 0.36108 183 4XY -0.08028 -0.03110 0.23879 0.26934 -0.00013 184 4XZ 0.00071 0.00034 -0.00041 -0.00006 -0.43935 185 4YZ 0.14742 0.03216 -0.17259 -0.22912 0.00004 186 22 H 1S 0.00037 0.00020 -0.00010 0.00000 -0.05128 187 2S -0.00028 -0.00015 0.00020 -0.00002 0.09246 188 23 H 1S -0.00050 -0.00020 0.00014 0.00001 0.09865 189 2S 0.00024 0.00006 -0.00003 -0.00002 0.16893 166 167 168 169 170 V V V V V Eigenvalues -- 2.63365 2.64875 2.67413 2.69191 2.70151 1 1 C 1S 0.03408 -0.09824 0.01672 -0.02487 -0.03179 2 2S 0.01164 -0.30067 0.03269 0.09103 0.02879 3 2PX 0.05892 -0.02236 0.02884 -0.07523 -0.00746 4 2PY -0.28043 -0.22306 -0.07167 0.04774 -0.25997 5 2PZ 0.31070 -0.14294 0.04388 -0.24038 0.02417 6 3S -0.97492 5.02816 -0.68466 1.02137 0.61958 7 3PX 0.11702 -0.58175 0.31112 -0.10613 0.14320 8 3PY -0.03766 -1.51011 -0.19734 0.40720 -0.46488 9 3PZ 0.54101 -1.79964 0.53021 -0.47027 0.13022 10 4XX 0.27162 -0.60344 0.01107 -0.11512 -0.16676 11 4YY -0.12321 0.52889 0.12812 -0.21176 0.48033 12 4ZZ -0.17616 0.09122 -0.07199 0.44479 -0.32380 13 4XY 0.06294 0.11792 0.26700 -0.07523 -0.30676 14 4XZ 0.01343 0.27543 -0.31246 0.26568 0.09523 15 4YZ 0.38469 0.21199 0.24046 -0.17026 -0.00795 16 2 C 1S 0.03421 0.09822 -0.01675 -0.02482 0.03179 17 2S 0.01194 0.30057 -0.03264 0.09099 -0.02871 18 2PX 0.05899 0.02222 -0.02898 -0.07512 0.00741 19 2PY 0.28002 -0.22331 -0.07150 -0.04750 -0.26008 20 2PZ 0.31088 0.14266 -0.04421 -0.24026 -0.02433 21 3S -0.97968 -5.02747 0.68664 1.02000 -0.61989 22 3PX 0.11767 0.58141 -0.31134 -0.10527 -0.14323 23 3PY 0.03604 -1.51079 -0.19818 -0.40643 -0.46467 24 3PZ 0.54267 1.79890 -0.53125 -0.46921 -0.13023 25 4XX 0.27220 0.60335 -0.01108 -0.11511 0.16659 26 4YY -0.12365 -0.52894 -0.12906 -0.21162 -0.48007 27 4ZZ -0.17624 -0.09098 0.07338 0.44486 0.32365 28 4XY -0.06342 0.11783 0.26701 0.07427 -0.30688 29 4XZ 0.01266 -0.27537 0.31334 0.26474 -0.09544 30 4YZ -0.38477 0.21221 0.24044 0.16921 -0.00804 31 3 H 1S -0.10223 -0.23664 -0.04250 -0.12043 0.05014 32 2S -0.06357 0.54341 -0.05460 0.11282 -0.04460 33 4 H 1S -0.10211 0.23672 0.04204 -0.12062 -0.05003 34 2S -0.06402 -0.54340 0.05496 0.11274 0.04453 35 5 C 1S -0.05411 0.05195 -0.02391 0.00081 -0.03841 36 2S 0.04560 0.62895 -0.08549 -0.04808 -0.13410 37 2PX 0.00926 -0.04064 0.03440 -0.13821 -0.04852 38 2PY -0.15265 -0.03786 -0.05986 0.07932 -0.04813 39 2PZ 0.18892 -0.17900 0.15296 -0.29844 -0.10056 40 3S 1.38204 -3.38479 1.14355 -0.30827 0.96931 41 3PX -0.05233 0.08680 -0.27522 -0.47221 -0.25835 42 3PY -0.60096 1.77717 -0.46346 0.09741 -0.30519 43 3PZ 0.30061 -0.49045 0.15914 -0.94211 -0.14621 44 4XX -0.18343 0.23226 -0.17939 0.30670 0.17248 45 4YY -0.40612 -0.20129 0.06880 -0.24853 -0.04777 46 4ZZ 0.51711 -0.11924 0.19375 -0.12410 -0.13637 47 4XY -0.06529 -0.01221 0.20406 0.24661 0.02769 48 4XZ 0.49772 -0.14850 -0.13509 0.23680 0.36019 49 4YZ -0.21681 0.23664 -0.02031 0.64358 0.00355 50 6 H 1S 0.21220 0.07808 -0.05420 0.12663 0.00989 51 2S 0.01077 -0.32947 0.18016 -0.07076 0.05791 52 7 C 1S -0.05414 -0.05193 0.02385 0.00076 0.03844 53 2S 0.04562 -0.62923 0.08545 -0.04814 0.13407 54 2PX 0.00935 0.04058 -0.03479 -0.13803 0.04854 55 2PY 0.15267 -0.03805 -0.05988 -0.07906 -0.04823 56 2PZ 0.18930 0.17882 -0.15367 -0.29799 0.10055 57 3S 1.38433 3.38464 -1.14309 -0.30603 -0.96983 58 3PX -0.05267 -0.08679 0.27376 -0.47281 0.25846 59 3PY 0.60214 1.77694 -0.46319 -0.09617 -0.30525 60 3PZ 0.30129 0.49044 -0.16154 -0.94169 0.14678 61 4XX -0.18412 -0.23214 0.18004 0.30602 -0.17231 62 4YY -0.40598 0.20146 -0.07014 -0.24802 0.04810 63 4ZZ 0.51764 0.11904 -0.19341 -0.12372 0.13595 64 4XY 0.06476 -0.01236 0.20332 -0.24721 0.02783 65 4XZ 0.49733 0.14819 0.13641 0.23616 -0.36058 66 4YZ 0.21666 0.23639 -0.02193 -0.64359 0.00378 67 8 H 1S 0.21206 -0.07827 0.05486 0.12651 -0.01001 68 2S 0.01109 0.32955 -0.18040 -0.07031 -0.05777 69 9 C 1S 0.02390 -0.03326 -0.04109 0.04004 0.00894 70 2S -0.03266 -0.11049 0.09408 -0.08830 -0.10496 71 2PX -0.09888 0.07559 -0.02249 -0.13932 -0.11308 72 2PY -0.10491 -0.03635 -0.20054 -0.05886 -0.08070 73 2PZ -0.10330 0.06902 -0.00148 -0.13512 -0.07839 74 3S -0.42136 1.90140 0.33674 -0.74527 -0.19128 75 3PX -0.21675 0.22262 -0.09263 -0.26658 -0.00226 76 3PY 0.01053 -0.55303 -0.58837 -0.23295 -0.51662 77 3PZ -0.14156 0.36524 -0.32654 -0.26521 -0.41883 78 4XX -0.03603 0.00320 -0.40786 -0.04963 -0.02416 79 4YY -0.03385 0.12035 0.64068 0.13662 0.21815 80 4ZZ 0.14064 -0.16703 -0.38142 -0.00574 -0.12913 81 4XY -0.17707 -0.07107 0.09488 -0.16380 -0.20600 82 4XZ -0.16106 -0.00158 -0.02030 -0.31314 -0.22957 83 4YZ -0.12573 -0.05677 0.16661 -0.19267 -0.27262 84 10 H 1S -0.04860 -0.11854 0.13744 -0.01493 -0.01270 85 2S -0.02606 -0.00983 -0.01617 0.00728 0.16678 86 11 H 1S -0.06030 -0.00894 0.10617 -0.05600 -0.09908 87 2S 0.05512 -0.06572 -0.07644 -0.01111 0.02799 88 12 C 1S 0.02389 0.03326 0.04124 0.03989 -0.00897 89 2S -0.03222 0.11065 -0.09446 -0.08815 0.10486 90 2PX -0.09879 -0.07552 0.02202 -0.13929 0.11314 91 2PY 0.10504 -0.03634 -0.20028 0.05948 -0.08082 92 2PZ -0.10329 -0.06904 0.00085 -0.13512 0.07849 93 3S -0.42277 -1.90176 -0.33928 -0.74328 0.19200 94 3PX -0.21747 -0.22256 0.09177 -0.26656 0.00256 95 3PY -0.01087 -0.55282 -0.58783 0.23495 -0.51700 96 3PZ -0.14163 -0.36575 0.32526 -0.26582 0.41868 97 4XX -0.03602 -0.00310 0.40762 -0.05058 0.02415 98 4YY -0.03360 -0.12024 -0.64040 0.13836 -0.21796 99 4ZZ 0.14020 0.16677 0.38176 -0.00699 0.12896 100 4XY 0.17674 -0.07106 0.09579 0.16353 -0.20614 101 4XZ -0.16101 0.00146 0.01926 -0.31302 0.22969 102 4YZ 0.12536 -0.05710 0.16664 0.19217 -0.27296 103 13 H 1S -0.05991 0.00909 -0.10644 -0.05565 0.09909 104 2S 0.05519 0.06564 0.07645 -0.01126 -0.02806 105 14 H 1S -0.04855 0.11854 -0.13752 -0.01459 0.01273 106 2S -0.02636 0.00984 0.01620 0.00716 -0.16676 107 15 C 1S -0.00058 -0.02799 0.03238 -0.00371 0.03664 108 2S -0.09748 -0.06947 -0.02617 0.00390 0.13762 109 2PX 0.07301 -0.06521 -0.05215 0.04984 0.04109 110 2PY 0.01525 -0.16762 0.13828 0.02800 0.24581 111 2PZ -0.02380 -0.00981 -0.04916 0.04018 0.03657 112 3S 0.17665 0.88745 -1.13233 0.11712 -1.35660 113 3PX 0.05876 -0.31595 -0.02480 0.06642 0.21481 114 3PY -0.01185 -0.39836 0.47812 0.00466 0.74089 115 3PZ 0.14017 -0.01821 -0.06075 0.04162 -0.13403 116 4XX 0.00095 -0.15803 0.14298 0.01807 0.28347 117 4YY 0.00538 0.30338 -0.26165 -0.00696 -0.47780 118 4ZZ 0.04340 -0.14346 0.14220 0.01118 0.14483 119 4XY -0.04994 -0.00762 -0.01435 0.04389 -0.04206 120 4XZ 0.12476 -0.13210 -0.07349 0.05777 0.03474 121 4YZ -0.03504 -0.07095 0.13443 0.03406 0.16977 122 16 H 1S -0.07154 -0.06434 0.11101 0.00675 0.13248 123 2S 0.09423 -0.03106 -0.02666 -0.02242 -0.14499 124 17 C 1S -0.00056 0.02801 -0.03239 -0.00361 -0.03665 125 2S -0.09791 0.06965 0.02606 0.00385 -0.13765 126 2PX 0.07310 0.06510 0.05224 0.04963 -0.04105 127 2PY -0.01549 -0.16749 0.13825 -0.02829 0.24574 128 2PZ -0.02382 0.00988 0.04917 0.04003 -0.03655 129 3S 0.17688 -0.88803 1.13265 0.11349 1.35684 130 3PX 0.05851 0.31566 0.02494 0.06606 -0.21493 131 3PY 0.01166 -0.39858 0.47812 -0.00635 0.74083 132 3PZ 0.14048 0.01768 0.06076 0.04129 0.13386 133 4XX 0.00126 0.15799 -0.14297 0.01828 -0.28347 134 4YY 0.00494 -0.30339 0.26171 -0.00756 0.47789 135 4ZZ 0.04361 0.14348 -0.14219 0.01166 -0.14490 136 4XY 0.04974 -0.00768 -0.01443 -0.04377 -0.04217 137 4XZ 0.12474 0.13178 0.07364 0.05746 -0.03474 138 4YZ 0.03506 -0.07092 0.13432 -0.03445 0.16958 139 18 H 1S -0.07154 0.06442 -0.11105 0.00701 -0.13247 140 2S 0.09427 0.03071 0.02660 -0.02263 0.14489 141 19 O 1S 0.01343 -0.02875 0.00079 0.00860 0.01842 142 2S 0.22251 -0.12099 -0.13251 0.02298 0.17866 143 2PX 0.00281 -0.04676 0.03853 0.01587 0.03129 144 2PY -0.02114 -0.02669 0.01905 -0.00304 0.01289 145 2PZ -0.00243 0.00458 0.01575 0.00278 0.01092 146 3S -0.73476 0.61077 0.29379 -0.16368 -0.56026 147 3PX 0.03784 0.14275 -0.14032 0.05271 -0.18028 148 3PY 0.31311 -0.21108 -0.11291 0.03615 0.24504 149 3PZ 0.03274 -0.08062 -0.06889 0.06922 0.02527 150 4XX 0.07713 -0.03786 0.00158 -0.03438 0.04854 151 4YY -0.15847 0.09939 0.00948 0.07952 -0.15057 152 4ZZ 0.14240 -0.17472 -0.00741 -0.00100 0.11927 153 4XY 0.00319 -0.10309 0.03276 -0.04743 0.12660 154 4XZ -0.02788 0.10534 0.07216 -0.08335 -0.09640 155 4YZ -0.02018 0.05592 -0.00450 -0.02043 -0.04122 156 20 O 1S 0.01346 0.02871 -0.00076 0.00857 -0.01841 157 2S 0.22255 0.12005 0.13255 0.02248 -0.17864 158 2PX 0.00287 0.04676 -0.03848 0.01594 -0.03129 159 2PY 0.02110 -0.02679 0.01906 0.00298 0.01287 160 2PZ -0.00241 -0.00462 -0.01576 0.00283 -0.01093 161 3S -0.73533 -0.60784 -0.29428 -0.16224 0.56009 162 3PX 0.03776 -0.14287 0.14034 0.05239 0.18034 163 3PY -0.31324 -0.20981 -0.11305 -0.03553 0.24508 164 3PZ 0.03286 0.08080 0.06909 0.06893 -0.02529 165 4XX 0.07719 0.03760 -0.00156 -0.03448 -0.04867 166 4YY -0.15849 -0.09888 -0.00938 0.07964 0.15075 167 4ZZ 0.14249 0.17426 0.00746 -0.00111 -0.11920 168 4XY -0.00334 -0.10306 0.03279 0.04736 0.12659 169 4XZ -0.02798 -0.10521 -0.07232 -0.08304 0.09622 170 4YZ 0.02028 0.05604 -0.00447 0.02035 -0.04135 171 21 C 1S -0.01815 0.00004 0.00000 0.00096 -0.00001 172 2S 0.09366 -0.00013 0.00004 0.00621 -0.00005 173 2PX -0.13576 0.00023 -0.00002 0.00717 0.00003 174 2PY -0.00009 -0.20439 -0.03166 0.00013 0.25243 175 2PZ -0.06347 0.00015 0.00000 0.00813 -0.00002 176 3S 0.55705 -0.00120 0.00009 0.01192 0.00005 177 3PX -0.27127 0.00057 0.00004 0.04996 0.00004 178 3PY -0.00011 -0.27739 0.03402 0.00004 0.31162 179 3PZ -0.05907 -0.00002 -0.00003 -0.00059 -0.00007 180 4XX 0.13478 -0.00017 -0.00002 -0.04555 -0.00010 181 4YY -0.07095 0.00006 0.00001 0.02723 0.00011 182 4ZZ -0.08713 0.00016 -0.00002 -0.00996 -0.00002 183 4XY 0.00011 0.24095 0.02567 -0.00012 -0.30105 184 4XZ 0.13241 -0.00021 -0.00003 -0.02869 -0.00001 185 4YZ 0.00005 0.18618 -0.04127 0.00000 -0.17881 186 22 H 1S -0.00397 -0.00001 -0.00001 0.00060 0.00000 187 2S 0.00094 -0.00005 -0.00004 -0.03054 -0.00003 188 23 H 1S -0.02428 0.00007 0.00002 0.00772 0.00004 189 2S -0.03192 0.00014 -0.00003 -0.01808 -0.00002 171 172 173 174 175 V V V V V Eigenvalues -- 2.75476 2.76759 2.80347 2.88868 2.89675 1 1 C 1S -0.04008 -0.00689 -0.00406 0.00280 -0.00580 2 2S -0.23147 -0.07741 -0.23595 -0.02881 0.00813 3 2PX -0.01061 -0.01546 -0.00217 0.01026 0.00750 4 2PY 0.10295 0.04754 0.00634 -0.06860 0.00483 5 2PZ -0.13168 -0.04113 0.08861 0.06087 -0.01957 6 3S 2.98559 0.29586 -0.55000 -0.35793 0.15498 7 3PX -0.51847 -0.01693 0.20615 0.09561 -0.01474 8 3PY -0.56380 0.02764 -0.05720 -0.11416 0.07335 9 3PZ -1.49673 -0.16441 0.28966 0.30956 -0.06459 10 4XX -0.19121 -0.03691 0.04933 0.01627 -0.01647 11 4YY -0.14200 0.00675 -0.04346 0.10186 -0.02413 12 4ZZ 0.31679 0.07810 0.04157 -0.10131 0.03049 13 4XY 0.17775 -0.01870 -0.14249 -0.00255 -0.00839 14 4XZ 0.08885 0.00793 0.02215 -0.02963 -0.00254 15 4YZ 0.04740 -0.05933 -0.03045 0.04492 -0.02845 16 2 C 1S 0.04011 -0.00676 0.00406 -0.00285 -0.00576 17 2S 0.23173 -0.07668 0.23611 0.02887 0.00804 18 2PX 0.01062 -0.01542 0.00218 -0.01021 0.00760 19 2PY 0.10313 -0.04740 0.00632 -0.06861 -0.00424 20 2PZ 0.13188 -0.04082 -0.08868 -0.06104 -0.01905 21 3S -2.98669 0.28725 0.54995 0.35907 0.15101 22 3PX 0.51842 -0.01565 -0.20629 -0.09574 -0.01376 23 3PY -0.56428 -0.02935 -0.05709 -0.11459 -0.07255 24 3PZ 1.49729 -0.16038 -0.28969 -0.31008 -0.06145 25 4XX 0.19146 -0.03629 -0.04942 -0.01640 -0.01629 26 4YY 0.14186 0.00683 0.04353 -0.10205 -0.02326 27 4ZZ -0.31704 0.07740 -0.04156 0.10157 0.02955 28 4XY 0.17770 0.01905 -0.14246 -0.00252 0.00836 29 4XZ -0.08872 0.00764 -0.02207 0.02962 -0.00286 30 4YZ 0.04730 0.05942 -0.03036 0.04506 0.02805 31 3 H 1S -0.10434 0.00485 0.00495 0.00118 -0.00085 32 2S 0.36885 0.02806 -0.07094 -0.05299 0.00993 33 4 H 1S 0.10427 0.00514 -0.00494 -0.00119 -0.00084 34 2S -0.36900 0.02710 0.07099 0.05307 0.00937 35 5 C 1S 0.06143 -0.00192 -0.03632 -0.00859 -0.00693 36 2S 0.71504 -0.01926 -0.69361 -0.23855 -0.03754 37 2PX 0.09118 -0.01395 -0.01622 0.00757 -0.00015 38 2PY 0.00830 0.02067 0.09561 0.01197 0.01430 39 2PZ -0.07768 -0.05732 -0.03389 0.06623 -0.02120 40 3S -3.71250 -0.05659 1.82227 0.73293 0.16394 41 3PX 0.30070 -0.05112 0.25785 0.09293 -0.08946 42 3PY 1.68677 0.06224 -0.93222 -0.35462 -0.07930 43 3PZ -0.04671 -0.21175 0.13352 0.13851 -0.23580 44 4XX 0.04656 0.05632 0.13150 0.00865 0.02638 45 4YY -0.18342 -0.01442 0.00454 0.03826 -0.02721 46 4ZZ -0.07038 -0.06629 0.01632 0.06532 -0.01429 47 4XY -0.15341 0.04097 -0.13479 -0.04440 0.03984 48 4XZ -0.37437 -0.02803 0.04917 0.01290 0.01000 49 4YZ 0.12626 0.08863 -0.02988 -0.09274 0.06245 50 6 H 1S 0.12098 -0.01505 0.00919 -0.01743 0.00379 51 2S -0.40316 -0.00206 0.13136 0.08986 0.03002 52 7 C 1S -0.06144 -0.00207 0.03633 0.00854 -0.00701 53 2S -0.71493 -0.02106 0.69359 0.23834 -0.03955 54 2PX -0.09114 -0.01416 0.01621 -0.00756 -0.00009 55 2PY 0.00836 -0.02062 0.09557 0.01188 -0.01436 56 2PZ 0.07786 -0.05707 0.03389 -0.06639 -0.02060 57 3S 3.71284 -0.04694 -1.82244 -0.73188 0.17102 58 3PX -0.30021 -0.05172 -0.25782 -0.09361 -0.08882 59 3PY 1.68721 -0.05787 -0.93233 -0.35399 0.08279 60 3PZ 0.04793 -0.21157 -0.13389 -0.14030 -0.23459 61 4XX -0.04681 0.05613 -0.13145 -0.00847 0.02634 62 4YY 0.18327 -0.01385 -0.00448 -0.03842 -0.02676 63 4ZZ 0.07080 -0.06612 -0.01646 -0.06549 -0.01372 64 4XY -0.15327 -0.04136 -0.13477 -0.04468 -0.03957 65 4XZ 0.37450 -0.02716 -0.04930 -0.01282 0.01012 66 4YZ 0.12650 -0.08829 -0.02995 -0.09320 -0.06164 67 8 H 1S -0.12083 -0.01541 -0.00922 0.01748 0.00360 68 2S 0.40322 -0.00104 -0.13140 -0.08963 0.03090 69 9 C 1S -0.04108 0.00375 0.02653 0.00790 0.00894 70 2S -0.30584 0.06439 0.18182 0.03322 0.08198 71 2PX 0.09186 0.00990 -0.04026 -0.02266 0.00205 72 2PY 0.10026 -0.00959 0.03301 0.01443 -0.02574 73 2PZ 0.12912 -0.00307 -0.02935 -0.00383 -0.01683 74 3S 2.31025 -0.15331 -1.41887 -0.41589 -0.29501 75 3PX 0.86251 -0.11076 -0.16091 0.05223 -0.17920 76 3PY -0.06828 -0.03105 0.48424 0.12852 -0.02613 77 3PZ 0.59043 -0.04302 -0.19836 -0.06248 -0.06500 78 4XX 0.10774 -0.00532 0.06035 0.00150 -0.02328 79 4YY -0.28586 0.01094 -0.13274 -0.03252 0.01688 80 4ZZ 0.18439 -0.02977 0.05840 0.04676 -0.00456 81 4XY 0.05986 -0.02082 -0.00147 0.00798 -0.02351 82 4XZ 0.23455 -0.03176 0.01068 0.03167 -0.03974 83 4YZ 0.06900 -0.00247 0.01755 0.01261 -0.00458 84 10 H 1S -0.04775 -0.00823 0.04937 0.04263 -0.00137 85 2S 0.04726 -0.02355 0.06043 0.05299 -0.04006 86 11 H 1S -0.15928 0.03376 0.04612 -0.00612 0.03488 87 2S -0.02309 -0.04112 0.01943 0.03643 -0.02684 88 12 C 1S 0.04108 0.00385 -0.02653 -0.00783 0.00902 89 2S 0.30553 0.06518 -0.18193 -0.03264 0.08243 90 2PX -0.09190 0.00972 0.04025 0.02267 0.00191 91 2PY 0.10028 0.00984 0.03296 0.01462 0.02565 92 2PZ -0.12908 -0.00336 0.02938 0.00372 -0.01686 93 3S -2.30962 -0.15904 1.41903 0.41378 -0.29923 94 3PX -0.86196 -0.11319 0.16080 -0.05358 -0.17938 95 3PY -0.06827 0.03076 0.48419 0.12865 0.02481 96 3PZ -0.59070 -0.04447 0.19878 0.06208 -0.06578 97 4XX -0.10755 -0.00556 -0.06038 -0.00166 -0.02324 98 4YY 0.28581 0.01166 0.13276 0.03265 0.01667 99 4ZZ -0.18439 -0.03027 -0.05832 -0.04679 -0.00428 100 4XY 0.05989 0.02093 -0.00157 0.00815 0.02341 101 4XZ -0.23438 -0.03229 -0.01063 -0.03193 -0.03952 102 4YZ 0.06933 0.00256 0.01773 0.01272 0.00443 103 13 H 1S 0.15917 0.03426 -0.04616 0.00636 0.03499 104 2S 0.02304 -0.04118 -0.01938 -0.03663 -0.02674 105 14 H 1S 0.04774 -0.00816 -0.04932 -0.04263 -0.00105 106 2S -0.04714 -0.02382 -0.06048 -0.05329 -0.03984 107 15 C 1S 0.01734 0.02574 0.10054 0.00385 0.02889 108 2S -0.00439 -0.06330 0.63362 0.20350 -0.20281 109 2PX -0.02861 -0.22956 -0.24532 -0.13398 -0.32543 110 2PY 0.27688 -0.17606 0.24852 -0.23431 -0.09388 111 2PZ 0.02622 -0.18628 -0.01821 -0.07648 -0.23153 112 3S -0.62516 -0.64883 -5.69014 -0.65659 -0.95928 113 3PX 0.14735 -0.23304 -0.84053 -0.12465 -0.41050 114 3PY 0.65987 -0.15068 2.19795 0.17979 -0.30279 115 3PZ 0.16925 -0.24474 -1.97521 -0.39489 -0.33692 116 4XX 0.38251 0.02234 0.14739 -0.16499 -0.23882 117 4YY -0.60733 -0.04291 -0.44182 0.44667 0.21034 118 4ZZ 0.10279 0.01702 0.14842 -0.30457 -0.04752 119 4XY -0.04815 -0.21688 0.03092 0.44302 -0.14733 120 4XZ -0.09780 -0.22506 -0.35904 -0.19188 -0.38338 121 4YZ 0.21496 -0.23286 0.20345 0.54120 -0.09750 122 16 H 1S 0.19034 -0.04242 0.15232 0.32109 0.04588 123 2S -0.17953 0.04716 -0.67142 -0.26507 0.01460 124 17 C 1S -0.01740 0.02568 -0.10055 -0.00363 0.02890 125 2S 0.00441 -0.06332 -0.63355 -0.20506 -0.20143 126 2PX 0.02929 -0.22950 0.24528 0.13153 -0.32640 127 2PY 0.27641 0.17676 0.24857 -0.23355 0.09557 128 2PZ -0.02577 -0.18644 0.01818 0.07477 -0.23219 129 3S 0.62692 -0.64702 5.69023 0.64946 -0.96379 130 3PX -0.14692 -0.23336 0.84040 0.12146 -0.41144 131 3PY 0.65942 0.15240 2.19833 0.18207 0.30167 132 3PZ -0.16883 -0.24520 1.97493 0.39232 -0.33994 133 4XX -0.38256 0.02148 -0.14743 0.16314 -0.24005 134 4YY 0.60753 -0.04119 0.44184 -0.44488 0.21376 135 4ZZ -0.10281 0.01645 -0.14847 0.30408 -0.04986 136 4XY -0.04873 0.21648 0.03102 0.44420 0.14392 137 4XZ 0.09838 -0.22490 0.35901 0.18886 -0.38477 138 4YZ 0.21423 0.23345 0.20336 0.54213 0.09342 139 18 H 1S -0.19031 -0.04286 -0.15232 -0.32078 0.04820 140 2S 0.17936 0.04764 0.67147 0.26517 0.01277 141 19 O 1S 0.01472 -0.04983 -0.04007 0.02617 0.00099 142 2S 0.26092 -0.36183 -0.94386 -0.06579 -0.02121 143 2PX 0.01767 0.00627 0.05329 0.03064 0.04142 144 2PY 0.02380 -0.07154 0.04095 0.03645 -0.04509 145 2PZ 0.01769 -0.00739 0.00700 0.02109 0.02904 146 3S -0.82480 1.47105 3.20346 -0.03514 0.05351 147 3PX -0.14416 -0.21261 -0.49520 -0.33795 -1.16697 148 3PY 0.28284 -0.22273 -1.09334 -0.06485 0.40331 149 3PZ -0.00176 -0.21687 -0.26984 -0.14667 -0.74000 150 4XX 0.04720 0.43933 0.08280 0.00788 0.12996 151 4YY -0.17790 -0.49139 0.28941 0.16173 -0.29307 152 4ZZ 0.09576 -0.15891 -0.39876 0.01284 0.23125 153 4XY 0.21373 -0.17111 -0.17579 0.45978 0.72707 154 4XZ -0.04584 0.50862 0.22185 -0.15502 0.27809 155 4YZ -0.02064 -0.04611 -0.02983 0.26966 0.42414 156 20 O 1S -0.01459 -0.04987 0.04006 -0.02617 0.00120 157 2S -0.26010 -0.36262 0.94366 0.06548 -0.02165 158 2PX -0.01768 0.00625 -0.05332 -0.03032 0.04163 159 2PY 0.02363 0.07161 0.04088 0.03676 0.04482 160 2PZ -0.01769 -0.00746 -0.00704 -0.02089 0.02918 161 3S 0.82136 1.47354 -3.20310 0.03596 0.05297 162 3PX 0.14485 -0.21206 0.49529 0.32931 -1.16962 163 3PY 0.28241 0.22358 -1.09293 -0.06761 -0.40316 164 3PZ 0.00230 -0.21682 0.27028 0.14116 -0.74110 165 4XX -0.04832 0.43929 -0.08279 -0.00694 0.12991 166 4YY 0.17922 -0.49082 -0.28935 -0.16375 -0.29204 167 4ZZ -0.09534 -0.15931 0.39865 -0.01124 0.23172 168 4XY 0.21349 0.17188 -0.17583 0.45446 -0.73043 169 4XZ 0.04446 0.50873 -0.22177 0.15707 0.27713 170 4YZ -0.02081 0.04623 -0.02953 0.26659 -0.42599 171 21 C 1S -0.00003 0.02963 0.00002 -0.00028 -0.07565 172 2S -0.00002 -0.04877 0.00000 0.00081 0.24779 173 2PX -0.00006 0.10814 0.00002 -0.00144 -0.41026 174 2PY 0.32318 0.00057 -0.68818 0.28786 -0.00117 175 2PZ -0.00005 0.03156 0.00010 -0.00052 -0.13361 176 3S 0.00085 -0.80435 -0.00040 0.00762 2.09089 177 3PX 0.00007 0.01691 0.00005 -0.00174 -0.48080 178 3PY 0.36158 0.00059 -0.41793 0.31163 -0.00124 179 3PZ -0.00009 -0.00429 0.00012 -0.00054 -0.13874 180 4XX -0.00064 0.49021 0.00010 -0.00057 -0.14635 181 4YY 0.00087 -0.73190 -0.00006 0.00214 0.57311 182 4ZZ -0.00034 0.30945 0.00005 -0.00164 -0.45025 183 4XY -0.37859 -0.00065 0.64662 -0.27624 0.00108 184 4XZ -0.00010 0.07893 -0.00008 0.00019 0.03931 185 4YZ -0.21382 -0.00015 0.24211 0.02142 -0.00021 186 22 H 1S 0.00011 -0.09588 0.00001 -0.00020 -0.05686 187 2S -0.00025 0.19042 0.00005 -0.00047 -0.12892 188 23 H 1S 0.00012 -0.06418 -0.00002 0.00004 0.01022 189 2S -0.00021 0.18123 0.00004 -0.00064 -0.17269 176 177 178 179 180 V V V V V Eigenvalues -- 2.94339 3.13276 3.13758 4.01188 4.12432 1 1 C 1S -0.00194 0.03547 -0.04247 0.01059 -0.02529 2 2S 0.01619 -0.24348 -0.02650 -0.10550 0.30510 3 2PX -0.06397 0.00057 -0.00424 0.01506 0.03553 4 2PY 0.40662 0.03709 -0.05011 0.00434 0.02117 5 2PZ -0.24597 0.10814 -0.05045 0.02215 0.05298 6 3S 0.21712 -1.38617 1.17548 -0.05905 -0.97958 7 3PX -0.16123 0.34383 -0.13377 0.01894 0.10312 8 3PY 1.38281 0.31139 -0.32634 -0.00335 0.27433 9 3PZ -0.97316 0.63043 -0.45337 0.03593 0.48356 10 4XX 0.00478 0.24473 -0.22828 0.06155 -0.07202 11 4YY -0.64533 -0.23516 0.28347 0.04533 -0.22853 12 4ZZ 0.62281 0.15410 -0.09404 0.01960 -0.19527 13 4XY -0.13867 0.05701 -0.14535 -0.01292 0.00190 14 4XZ 0.18795 0.05269 -0.07171 -0.02769 -0.03253 15 4YZ -0.36692 0.47033 -0.54563 0.00454 0.02980 16 2 C 1S 0.00195 -0.03547 0.04248 0.01057 0.02324 17 2S -0.01620 0.24355 0.02652 -0.10510 -0.29085 18 2PX 0.06402 -0.00054 0.00422 0.01507 -0.03575 19 2PY 0.40653 0.03710 -0.05010 -0.00439 0.02180 20 2PZ 0.24610 -0.10817 0.05045 0.02214 -0.05317 21 3S -0.21739 1.38632 -1.17546 -0.05918 0.98440 22 3PX 0.16146 -0.34384 0.13363 0.01866 -0.10251 23 3PY 1.38262 0.31157 -0.32658 0.00329 0.27359 24 3PZ 0.97362 -0.63043 0.45331 0.03585 -0.48274 25 4XX -0.00479 -0.24475 0.22825 0.06144 0.06397 26 4YY 0.64557 0.23491 -0.28316 0.04513 0.22092 27 4ZZ -0.62302 -0.15384 0.09379 0.01945 0.18716 28 4XY -0.13846 0.05711 -0.14547 0.01290 0.00195 29 4XZ -0.18803 -0.05254 0.07163 -0.02766 0.03248 30 4YZ -0.36649 0.47050 -0.54576 -0.00451 0.02983 31 3 H 1S -0.00506 -0.21489 0.21428 0.00759 0.02728 32 2S 0.02162 -0.06656 -0.00724 -0.00079 -0.14149 33 4 H 1S 0.00509 0.21487 -0.21430 0.00767 -0.02652 34 2S -0.02161 0.06660 0.00725 -0.00076 0.13935 35 5 C 1S 0.00653 -0.05215 0.02006 0.02127 -0.00023 36 2S -0.09690 -0.35700 -0.32882 -0.35017 -0.48434 37 2PX -0.12179 -0.00972 -0.02299 0.00072 -0.00836 38 2PY 0.12841 -0.00601 0.09205 0.01534 0.00323 39 2PZ -0.31017 0.10865 -0.17190 0.01097 0.03435 40 3S -0.71202 2.19430 -0.31201 0.34467 1.33435 41 3PX -0.58047 -0.09672 0.21523 -0.02636 0.03049 42 3PY 0.20499 -1.00325 0.07166 -0.22777 -0.79765 43 3PZ -1.32145 -0.06956 -0.12082 -0.14613 -0.03029 44 4XX 0.20202 0.04305 0.10818 0.15657 0.15258 45 4YY -0.06430 -0.29924 0.37329 0.12154 0.12273 46 4ZZ -0.21651 0.32925 -0.32783 0.15166 0.17790 47 4XY 0.24073 -0.02027 -0.00160 0.00231 -0.00886 48 4XZ 0.06495 0.27487 -0.27247 0.01696 0.08303 49 4YZ 0.56784 0.01045 0.00984 0.02036 -0.01425 50 6 H 1S 0.01990 0.12504 -0.16476 -0.01639 -0.00014 51 2S -0.04839 0.11949 0.09074 0.10153 0.20386 52 7 C 1S -0.00654 0.05215 -0.02007 0.02128 -0.00106 53 2S 0.09688 0.35688 0.32869 -0.34993 0.49244 54 2PX 0.12178 0.00971 0.02298 0.00070 0.00809 55 2PY 0.12831 -0.00598 0.09200 -0.01530 0.00380 56 2PZ 0.31020 -0.10865 0.17194 0.01099 -0.03383 57 3S 0.71218 -2.19428 0.31234 0.34411 -1.33181 58 3PX 0.58021 0.09662 -0.21526 -0.02606 -0.03102 59 3PY 0.20459 -1.00349 0.07166 0.22734 -0.79794 60 3PZ 1.32190 0.06903 0.12053 -0.14599 0.02906 61 4XX -0.20193 -0.04292 -0.10830 0.15646 -0.15711 62 4YY 0.06398 0.29927 -0.37328 0.12154 -0.12787 63 4ZZ 0.21674 -0.32934 0.32797 0.15162 -0.18172 64 4XY 0.24068 -0.02017 -0.00174 -0.00231 -0.00930 65 4XZ -0.06487 -0.27488 0.27239 0.01693 -0.08219 66 4YZ 0.56788 0.01064 0.00956 -0.02034 -0.01428 67 8 H 1S -0.01990 -0.12508 0.16473 -0.01645 0.00086 68 2S 0.04838 -0.11960 -0.09079 0.10140 -0.20518 69 9 C 1S 0.00079 0.04247 -0.01460 -0.00350 -0.01511 70 2S -0.02984 0.23153 0.15378 0.15382 0.53716 71 2PX -0.07581 -0.06204 0.06470 -0.01320 0.00695 72 2PY -0.12476 -0.03602 0.03848 -0.02594 0.00320 73 2PZ -0.08795 -0.08295 0.04301 -0.02072 -0.05051 74 3S -0.15499 -1.84694 0.02613 -0.26599 -1.18268 75 3PX -0.49723 -0.57188 -0.12139 -0.15421 -0.62756 76 3PY -0.75715 0.29855 0.13941 -0.01244 0.38974 77 3PZ -0.25204 -0.29467 0.04188 -0.08378 -0.13361 78 4XX -0.18943 -0.02250 0.00562 -0.07049 -0.17565 79 4YY 0.36489 -0.03017 0.00686 -0.03286 -0.21201 80 4ZZ -0.18376 0.05655 -0.13574 -0.05674 -0.19336 81 4XY -0.07613 -0.15440 0.18490 -0.01804 -0.00109 82 4XZ -0.22098 -0.11097 0.06746 -0.04179 -0.05871 83 4YZ -0.09453 -0.12350 0.17087 -0.00162 -0.00191 84 10 H 1S -0.01129 0.01648 0.00716 0.00456 0.01000 85 2S -0.03329 -0.02635 -0.06467 -0.02359 -0.18514 86 11 H 1S 0.02201 0.07021 0.10057 0.03224 0.12452 87 2S 0.02849 0.04639 -0.10956 -0.02979 -0.03795 88 12 C 1S -0.00079 -0.04248 0.01460 -0.00348 0.01296 89 2S 0.02983 -0.23144 -0.15370 0.15339 -0.52361 90 2PX 0.07579 0.06204 -0.06467 -0.01317 -0.00689 91 2PY -0.12479 -0.03605 0.03853 0.02597 0.00351 92 2PZ 0.08792 0.08294 -0.04306 -0.02068 0.05045 93 3S 0.15513 1.84681 -0.02642 -0.26517 1.18855 94 3PX 0.49737 0.57164 0.12122 -0.15406 0.62633 95 3PY -0.75727 0.29855 0.13950 0.01256 0.38942 96 3PZ 0.25164 0.29517 -0.04176 -0.08364 0.13372 97 4XX 0.18932 0.02238 -0.00561 -0.07030 0.16698 98 4YY -0.36484 0.03022 -0.00697 -0.03268 0.20454 99 4ZZ 0.18382 -0.05656 0.13582 -0.05659 0.18486 100 4XY -0.07609 -0.15448 0.18491 0.01806 -0.00124 101 4XZ 0.22094 0.11094 -0.06745 -0.04176 0.05874 102 4YZ -0.09490 -0.12347 0.17079 0.00162 -0.00200 103 13 H 1S -0.02206 -0.07022 -0.10050 0.03222 -0.12366 104 2S -0.02857 -0.04620 0.10963 -0.02984 0.03628 105 14 H 1S 0.01129 -0.01643 -0.00716 0.00449 -0.00910 106 2S 0.03331 0.02626 0.06462 -0.02363 0.18256 107 15 C 1S -0.00368 0.05432 0.03783 0.00125 -0.08624 108 2S -0.00774 0.11729 0.14665 0.15197 0.86585 109 2PX -0.01486 -0.28893 -0.27637 -0.06709 -0.15736 110 2PY -0.01925 -0.18223 -0.14690 -0.04208 0.10527 111 2PZ -0.00816 -0.16417 -0.12547 0.02320 -0.05926 112 3S 0.26714 -2.62410 -2.09088 -0.95768 -2.92002 113 3PX 0.17796 -0.84779 -0.76567 -0.33973 -1.42601 114 3PY -0.16193 0.37602 0.22316 -0.07555 0.59845 115 3PZ 0.15803 -1.37968 -1.23432 -0.43924 -1.69751 116 4XX -0.01330 -0.19926 -0.17171 0.01422 -0.47467 117 4YY 0.04301 0.19522 0.14092 -0.01789 -0.53315 118 4ZZ -0.02468 0.01167 -0.04000 0.01116 -0.40386 119 4XY 0.08452 -0.33223 -0.31382 0.07763 0.00797 120 4XZ -0.00127 -0.36023 -0.34551 -0.05422 -0.15241 121 4YZ 0.10921 -0.26998 -0.22175 0.06955 0.01167 122 16 H 1S 0.08594 -0.13708 -0.10033 0.08417 0.01927 123 2S 0.01997 -0.20329 -0.21264 -0.07830 -0.50234 124 17 C 1S 0.00367 -0.05432 -0.03783 0.00129 0.08400 125 2S 0.00778 -0.11708 -0.14650 0.15135 -0.85129 126 2PX 0.01490 0.28893 0.27639 -0.06696 0.15671 127 2PY -0.01927 -0.18220 -0.14685 0.04215 0.10614 128 2PZ 0.00818 0.16430 0.12557 0.02322 0.05889 129 3S -0.26703 2.62418 2.09090 -0.95494 2.92526 130 3PX -0.17784 0.84791 0.76567 -0.33847 1.42640 131 3PY -0.16194 0.37632 0.22337 0.07637 0.59857 132 3PZ -0.15788 1.37980 1.23435 -0.43789 1.69728 133 4XX 0.01336 0.19923 0.17166 0.01449 0.46542 134 4YY -0.04303 -0.19539 -0.14106 -0.01755 0.52506 135 4ZZ 0.02463 -0.01154 0.04012 0.01141 0.39492 136 4XY 0.08450 -0.33213 -0.31372 -0.07760 0.00832 137 4XZ 0.00131 0.36038 0.34561 -0.05402 0.15212 138 4YZ 0.10922 -0.26997 -0.22174 -0.06950 0.01166 139 18 H 1S -0.08591 0.13712 0.10033 0.08415 -0.01825 140 2S -0.01988 0.20335 0.21264 -0.07776 0.50044 141 19 O 1S 0.00818 0.00902 0.00164 -0.39401 -0.40276 142 2S 0.02820 -0.37923 -0.31949 -0.40246 -0.63424 143 2PX 0.02230 0.01399 0.00489 0.04681 0.04897 144 2PY -0.00407 -0.02351 -0.02237 0.13953 0.16611 145 2PZ 0.00995 -0.01889 -0.01592 0.04422 0.03952 146 3S -0.23018 1.26373 1.14280 4.81654 5.56350 147 3PX -0.00823 -1.19471 -1.04523 -0.11597 -0.85424 148 3PY 0.05889 -0.01997 -0.00994 -0.97421 -0.87229 149 3PZ 0.01649 -0.65544 -0.58390 -0.16613 -0.61645 150 4XX -0.00292 0.35186 0.29771 -1.26915 -1.15501 151 4YY 0.03990 -0.25936 -0.24335 -1.17576 -1.26435 152 4ZZ 0.00586 0.19240 0.14274 -1.33818 -1.38003 153 4XY 0.03943 0.36807 0.32404 -0.09138 0.14450 154 4XZ -0.03680 0.33592 0.30749 0.08607 0.24477 155 4YZ 0.02810 0.19806 0.16616 -0.00702 0.11738 156 20 O 1S -0.00818 -0.00901 -0.00164 -0.39373 0.40270 157 2S -0.02820 0.37923 0.31947 -0.40204 0.63372 158 2PX -0.02230 -0.01396 -0.00487 0.04678 -0.04953 159 2PY -0.00406 -0.02351 -0.02238 -0.13940 0.16606 160 2PZ -0.00996 0.01889 0.01593 0.04422 -0.03978 161 3S 0.23014 -1.26393 -1.14282 4.81267 -5.56136 162 3PX 0.00840 1.19484 1.04526 -0.11528 0.85429 163 3PY 0.05889 -0.01972 -0.00967 0.97350 -0.87080 164 3PZ -0.01636 0.65567 0.58404 -0.16594 0.61609 165 4XX 0.00294 -0.35183 -0.29770 -1.26835 1.15542 166 4YY -0.03987 0.25957 0.24349 -1.17489 1.26418 167 4ZZ -0.00588 -0.19257 -0.14289 -1.33719 1.38012 168 4XY 0.03959 0.36797 0.32391 0.09152 0.14383 169 4XZ 0.03675 -0.33613 -0.30766 0.08588 -0.24391 170 4YZ 0.02820 0.19796 0.16605 0.00706 0.11689 171 21 C 1S 0.00001 -0.00001 -0.00001 -0.12393 0.00046 172 2S 0.00000 -0.00003 -0.00003 0.95553 -0.00194 173 2PX 0.00003 0.00004 0.00003 0.16550 0.00005 174 2PY 0.05137 0.24418 0.21426 -0.00002 -0.05153 175 2PZ 0.00000 -0.00003 -0.00002 0.08561 0.00001 176 3S -0.00018 -0.00010 -0.00006 -2.06879 -0.00380 177 3PX 0.00005 0.00007 0.00004 0.78673 0.00079 178 3PY 0.04745 0.62885 0.54812 -0.00012 -0.38785 179 3PZ -0.00002 -0.00005 -0.00006 0.18755 0.00093 180 4XX 0.00002 -0.00008 -0.00007 -0.59083 0.00142 181 4YY -0.00007 0.00002 0.00004 -0.37868 0.00158 182 4ZZ 0.00004 0.00001 0.00000 -0.54381 0.00164 183 4XY -0.03205 -0.31426 -0.27717 -0.00002 -0.11057 184 4XZ 0.00001 0.00003 0.00003 -0.03178 -0.00020 185 4YZ 0.00782 -0.13879 -0.12356 -0.00003 -0.00792 186 22 H 1S 0.00000 0.00002 0.00002 0.21768 0.00007 187 2S 0.00000 0.00000 0.00000 -0.05422 0.00058 188 23 H 1S 0.00000 0.00001 0.00001 0.24394 -0.00008 189 2S 0.00002 -0.00003 -0.00001 0.04118 0.00028 181 182 183 184 185 V V V V V Eigenvalues -- 4.12774 4.22312 4.28836 4.36077 4.37992 1 1 C 1S -0.19015 0.18111 -0.13470 0.18624 -0.20259 2 2S 1.30092 -0.98190 0.76689 -0.99128 1.24556 3 2PX -0.01612 -0.02949 -0.00631 0.02435 -0.02510 4 2PY -0.05788 0.05010 -0.03793 0.02354 0.15015 5 2PZ -0.00282 -0.11868 0.06641 -0.06848 0.03164 6 3S 0.43374 -0.86310 0.39918 -0.65885 0.31050 7 3PX 0.04758 0.03727 0.01638 -0.04623 0.23241 8 3PY 0.06312 -0.04979 -0.01278 0.00334 -0.07493 9 3PZ 0.06188 0.23124 -0.07145 0.11538 0.35725 10 4XX -0.74180 0.69656 -0.51573 0.70773 -0.78080 11 4YY -0.70050 0.61176 -0.47314 0.63195 -0.97505 12 4ZZ -0.76126 0.75297 -0.54292 0.71326 -0.76666 13 4XY -0.00398 -0.02522 -0.00235 0.01238 -0.02204 14 4XZ -0.00993 0.01212 -0.02130 0.03392 0.00277 15 4YZ 0.00239 -0.04908 0.01559 0.00421 0.01318 16 2 C 1S -0.19042 0.18103 -0.13462 0.18671 0.20238 17 2S 1.30440 -0.98126 0.76624 -0.99405 -1.24441 18 2PX -0.01570 -0.02948 -0.00635 0.02438 0.02511 19 2PY 0.05764 -0.05013 0.03797 -0.02320 0.15015 20 2PZ -0.00216 -0.11866 0.06636 -0.06857 -0.03154 21 3S 0.42177 -0.86382 0.39957 -0.66095 -0.30997 22 3PX 0.04882 0.03747 0.01646 -0.04646 -0.23233 23 3PY -0.06653 0.04963 0.01285 -0.00399 -0.07472 24 3PZ 0.06773 0.23188 -0.07170 0.11524 -0.35734 25 4XX -0.74254 0.69628 -0.51543 0.70951 0.77997 26 4YY -0.70313 0.61124 -0.47267 0.63418 0.97433 27 4ZZ -0.76350 0.75261 -0.54253 0.71503 0.76586 28 4XY 0.00399 0.02519 0.00239 -0.01243 -0.02196 29 4XZ -0.01031 0.01209 -0.02128 0.03392 -0.00284 30 4YZ -0.00274 0.04901 -0.01553 -0.00418 0.01329 31 3 H 1S 0.07577 -0.05788 0.06031 -0.08983 0.04496 32 2S -0.19294 0.08336 -0.09694 0.16662 -0.26645 33 4 H 1S 0.07607 -0.05785 0.06025 -0.08997 -0.04482 34 2S -0.19465 0.08313 -0.09687 0.16702 0.26624 35 5 C 1S -0.10303 -0.11080 0.00690 0.03319 -0.19981 36 2S 0.63562 0.56291 -0.06330 -0.05282 0.75284 37 2PX -0.02038 -0.05661 -0.00894 -0.00104 -0.02357 38 2PY -0.04706 0.03491 -0.02493 0.01998 0.05244 39 2PZ 0.05349 -0.12200 0.04172 -0.05454 0.08302 40 3S 0.20729 0.58872 -0.18159 -0.07705 1.41564 41 3PX -0.02644 0.18219 0.07269 -0.08897 -0.07493 42 3PY -0.00785 -0.05842 -0.00215 0.01311 -0.65997 43 3PZ -0.05876 0.21442 0.05953 0.09851 0.04525 44 4XX -0.35910 -0.33473 0.04024 0.04373 -0.69454 45 4YY -0.40690 -0.44931 0.03333 0.11939 -0.64361 46 4ZZ -0.28722 -0.45917 0.10200 0.00822 -0.55301 47 4XY 0.03078 0.04269 -0.02453 0.02964 0.02055 48 4XZ 0.07257 0.01757 0.01913 0.00589 0.10662 49 4YZ -0.00642 0.11338 -0.04782 0.03075 -0.03359 50 6 H 1S 0.05967 0.04747 0.00784 -0.02030 0.08247 51 2S -0.08824 -0.12407 0.01704 0.03331 0.05223 52 7 C 1S -0.10301 -0.11085 0.00691 0.03350 0.19968 53 2S 0.62961 0.56278 -0.06305 -0.05430 -0.75231 54 2PX -0.02051 -0.05659 -0.00891 -0.00107 0.02359 55 2PY 0.04700 -0.03487 0.02490 -0.01992 0.05244 56 2PZ 0.05390 -0.12198 0.04167 -0.05474 -0.08296 57 3S 0.22336 0.59021 -0.18239 -0.07845 -1.41501 58 3PX -0.02593 0.18221 0.07261 -0.08902 0.07501 59 3PY 0.01750 0.05907 0.00167 -0.01350 -0.65979 60 3PZ -0.05918 0.21464 0.05953 0.09833 -0.04545 61 4XX -0.35721 -0.33482 0.04021 0.04494 0.69420 62 4YY -0.40533 -0.44934 0.03325 0.12047 0.64313 63 4ZZ -0.28495 -0.45924 0.10191 0.00912 0.55261 64 4XY -0.03068 -0.04267 0.02454 -0.02969 0.02062 65 4XZ 0.07356 0.01763 0.01905 0.00581 -0.10663 66 4YZ 0.00652 -0.11336 0.04777 -0.03088 -0.03351 67 8 H 1S 0.05964 0.04749 0.00786 -0.02039 -0.08241 68 2S -0.08577 -0.12394 0.01691 0.03343 -0.05229 69 9 C 1S -0.16658 -0.27393 -0.01265 0.03687 -0.14558 70 2S 1.05537 1.43452 0.08119 -0.21225 0.92181 71 2PX 0.00374 -0.02894 -0.00404 0.03257 -0.03212 72 2PY -0.02776 -0.00366 -0.00605 0.00006 0.04601 73 2PZ 0.00020 -0.01928 0.01522 -0.02698 -0.00128 74 3S 0.45900 1.16063 0.14612 -0.11273 0.17977 75 3PX -0.08279 0.06505 0.03704 -0.07507 -0.10585 76 3PY 0.03584 0.08198 0.05353 -0.01193 0.05408 77 3PZ -0.04763 0.02913 -0.03554 0.11936 -0.31031 78 4XX -0.66950 -1.04055 -0.04551 0.13880 -0.58049 79 4YY -0.57753 -0.90573 -0.04711 0.13145 -0.66286 80 4ZZ -0.66394 -1.02828 -0.05463 0.14440 -0.54419 81 4XY 0.00557 0.02541 0.00112 -0.01229 0.02349 82 4XZ 0.00063 0.03213 -0.01161 0.01211 0.02705 83 4YZ 0.00898 0.00804 0.00245 -0.00566 0.03003 84 10 H 1S 0.06810 0.08764 -0.00112 -0.02105 0.08583 85 2S -0.19107 -0.25760 0.00870 -0.04878 -0.15909 86 11 H 1S 0.06562 0.07177 -0.00416 0.00002 0.02482 87 2S -0.15136 -0.27583 -0.06149 0.13375 -0.20289 88 12 C 1S -0.16678 -0.27398 -0.01259 0.03683 0.14552 89 2S 1.06203 1.43506 0.08046 -0.21178 -0.92153 90 2PX 0.00384 -0.02897 -0.00404 0.03261 0.03209 91 2PY 0.02771 0.00365 0.00605 -0.00001 0.04599 92 2PZ -0.00042 -0.01929 0.01524 -0.02702 0.00133 93 3S 0.44465 1.15993 0.14662 -0.11246 -0.17968 94 3PX -0.09057 0.06485 0.03737 -0.07551 0.10578 95 3PY -0.04066 -0.08225 -0.05318 0.01170 0.05392 96 3PZ -0.04911 0.02876 -0.03533 0.11954 0.31027 97 4XX -0.67169 -1.04083 -0.04516 0.13860 0.58030 98 4YY -0.58021 -0.90599 -0.04671 0.13120 0.66266 99 4ZZ -0.66633 -1.02849 -0.05430 0.14414 0.54401 100 4XY -0.00558 -0.02547 -0.00110 0.01232 0.02342 101 4XZ -0.00009 0.03209 -0.01157 0.01202 -0.02702 102 4YZ -0.00889 -0.00797 -0.00244 0.00571 0.03011 103 13 H 1S 0.06718 0.07180 -0.00423 0.00012 -0.02482 104 2S -0.15177 -0.27596 -0.06136 0.13367 0.20279 105 14 H 1S 0.06818 0.08773 -0.00118 -0.02112 -0.08578 106 2S -0.19341 -0.25766 0.00885 -0.04897 0.15908 107 15 C 1S -0.18254 0.10059 0.09058 -0.27591 -0.11995 108 2S 1.20280 -0.54873 -0.32788 1.45221 0.95737 109 2PX -0.05478 0.00617 0.00600 -0.02186 -0.01399 110 2PY -0.07621 0.05435 -0.01793 -0.04585 0.08730 111 2PZ -0.02590 -0.00175 0.03049 -0.09476 -0.02025 112 3S 0.37156 -0.35358 -0.20604 1.13214 0.45429 113 3PX 0.00057 0.20523 -0.06665 -0.03500 0.26338 114 3PY 0.02401 -0.09984 0.20187 0.04246 0.02985 115 3PZ -0.06849 0.15714 -0.12840 0.19994 -0.05426 116 4XX -0.75469 0.37147 0.27080 -1.08578 -0.58565 117 4YY -0.66185 0.34411 0.26052 -0.94554 -0.65150 118 4ZZ -0.73667 0.40183 0.32019 -1.06072 -0.53333 119 4XY -0.02150 0.03175 0.01096 -0.03352 -0.03558 120 4XZ -0.03199 0.05200 -0.02880 -0.05812 -0.01293 121 4YZ 0.00113 0.01905 -0.02272 0.00513 -0.00502 122 16 H 1S 0.08542 -0.01537 -0.08030 0.09937 0.05359 123 2S -0.17582 0.25308 -0.01532 -0.23755 -0.12448 124 17 C 1S -0.18354 0.10060 0.09063 -0.27572 0.12038 125 2S 1.21292 -0.54853 -0.32828 1.45067 -0.95959 126 2PX -0.05663 0.00609 0.00603 -0.02187 0.01400 127 2PY 0.07496 -0.05437 0.01799 0.04597 0.08726 128 2PZ -0.02661 -0.00178 0.03051 -0.09480 0.02040 129 3S 0.33654 -0.35603 -0.20572 1.13083 -0.45620 130 3PX -0.01669 0.20410 -0.06640 -0.03573 -0.26342 131 3PY -0.03114 0.09950 -0.20192 -0.04234 0.02991 132 3PZ -0.08907 0.15588 -0.12798 0.19992 0.05378 133 4XX -0.76026 0.37136 0.27105 -1.08487 0.58738 134 4YY -0.66804 0.34407 0.26080 -0.94450 0.65295 135 4ZZ -0.74138 0.40181 0.32042 -1.05988 0.53496 136 4XY 0.02139 -0.03175 -0.01097 0.03343 -0.03565 137 4XZ -0.03383 0.05190 -0.02878 -0.05813 0.01304 138 4YZ -0.00126 -0.01903 0.02275 -0.00516 -0.00505 139 18 H 1S 0.08558 -0.01539 -0.08032 0.09930 -0.05372 140 2S -0.18188 0.25280 -0.01520 -0.23726 0.12476 141 19 O 1S -0.02824 0.02770 0.08770 0.05978 0.09829 142 2S -0.07331 0.07171 -0.03071 0.03491 0.08391 143 2PX -0.04533 0.03051 0.04020 -0.03322 -0.03979 144 2PY 0.00999 -0.00978 -0.06792 -0.05900 -0.05572 145 2PZ -0.01388 0.00786 0.01265 -0.02926 -0.01992 146 3S 0.48966 -0.50966 -0.92861 -0.87424 -1.11594 147 3PX -0.00928 0.04640 0.04687 0.07132 0.00080 148 3PY -0.16486 0.13699 -0.07225 0.02243 0.12712 149 3PZ -0.07118 0.05825 0.05938 -0.04037 0.01708 150 4XX -0.03878 0.05066 0.32246 0.29679 0.36345 151 4YY -0.08744 0.09579 0.51924 0.26121 0.33337 152 4ZZ -0.06081 0.07013 0.22707 0.23797 0.36640 153 4XY 0.04520 -0.04981 -0.18207 -0.03606 0.02554 154 4XZ 0.08075 -0.05314 0.02579 0.12289 0.04379 155 4YZ 0.04567 -0.03492 -0.07199 0.03687 0.02136 156 20 O 1S -0.03304 0.02739 0.08778 0.05950 -0.09847 157 2S -0.08093 0.07120 -0.03054 0.03462 -0.08408 158 2PX -0.04475 0.03058 0.04021 -0.03311 0.03985 159 2PY -0.01197 0.00965 0.06798 0.05885 -0.05584 160 2PZ -0.01340 0.00790 0.01264 -0.02924 0.01998 161 3S 0.55628 -0.50532 -0.92973 -0.87089 1.11846 162 3PX -0.01952 0.04573 0.04711 0.07113 -0.00099 163 3PY 0.17526 -0.13632 0.07212 -0.02200 0.12730 164 3PZ -0.07865 0.05783 0.05948 -0.04054 -0.01706 165 4XX -0.05255 0.04975 0.32272 0.29581 -0.36419 166 4YY -0.10253 0.09481 0.51951 0.26023 -0.33409 167 4ZZ -0.07722 0.06904 0.22731 0.23698 -0.36707 168 4XY -0.04690 0.04969 0.18213 0.03613 0.02543 169 4XZ 0.08368 -0.05300 0.02569 0.12287 -0.04400 170 4YZ -0.04707 0.03484 0.07192 -0.03687 0.02139 171 21 C 1S 0.06786 -0.06135 -0.42861 -0.17071 0.00018 172 2S -0.26747 0.31211 2.39258 1.13149 -0.00114 173 2PX 0.01372 0.00849 0.14971 0.07005 -0.00007 174 2PY 0.00032 0.00002 0.00003 0.00003 0.00602 175 2PZ 0.00851 -0.01774 0.07129 0.00905 0.00000 176 3S -0.74290 0.52681 2.26340 0.82196 -0.00113 177 3PX 0.18669 -0.12183 -0.01978 0.02605 0.00009 178 3PY 0.00232 0.00016 -0.00005 0.00024 0.17739 179 3PZ 0.13628 0.02832 -0.14152 0.17693 -0.00020 180 4XX 0.20195 -0.22593 -1.67871 -0.75756 0.00078 181 4YY 0.24017 -0.23759 -1.86089 -0.78524 0.00084 182 4ZZ 0.23530 -0.22879 -1.60922 -0.67922 0.00070 183 4XY 0.00065 0.00004 -0.00004 0.00003 0.03134 184 4XZ -0.03821 0.01923 -0.03403 -0.05071 0.00004 185 4YZ 0.00004 0.00001 0.00003 0.00003 0.01152 186 22 H 1S 0.02019 0.01060 0.05892 0.05652 -0.00005 187 2S 0.08294 -0.03969 -0.53080 -0.14941 0.00015 188 23 H 1S 0.00293 -0.00866 0.09798 0.01490 0.00001 189 2S 0.05664 -0.11183 -0.43835 -0.26355 0.00031 186 187 188 189 V V V V Eigenvalues -- 4.44863 4.50900 4.60327 4.87097 1 1 C 1S 0.01490 -0.22780 -0.18747 -0.02364 2 2S -0.07525 1.10211 0.87586 0.19530 3 2PX -0.03171 0.02201 0.00769 0.03080 4 2PY 0.08347 0.08458 0.07764 -0.04057 5 2PZ -0.11333 0.12293 0.10410 0.02168 6 3S -0.55818 2.39802 1.65043 2.53695 7 3PX 0.04408 -0.12180 -0.00217 -0.46818 8 3PY -0.08330 -0.40544 -0.52386 -0.14003 9 3PZ 0.18060 -0.68167 -0.22425 -1.21918 10 4XX 0.06770 -0.82515 -0.66239 -0.08839 11 4YY 0.09286 -1.03259 -0.86129 -0.19241 12 4ZZ 0.17012 -0.87030 -0.71300 -0.20341 13 4XY -0.02657 0.03944 -0.02523 0.04576 14 4XZ 0.03536 -0.02941 -0.03318 -0.02866 15 4YZ -0.13444 0.09291 0.08393 0.13415 16 2 C 1S 0.01470 0.22766 0.18756 0.02366 17 2S -0.07413 -1.10150 -0.87611 -0.19543 18 2PX -0.03168 -0.02201 -0.00767 -0.03083 19 2PY -0.08353 0.08456 0.07767 -0.04054 20 2PZ -0.11326 -0.12290 -0.10415 -0.02171 21 3S -0.55658 -2.39778 -1.65113 -2.53704 22 3PX 0.04395 0.12165 0.00207 0.46823 23 3PY 0.08351 -0.40549 -0.52397 -0.14050 24 3PZ 0.18026 0.68144 0.22443 1.21929 25 4XX 0.06694 0.82466 0.66269 0.08850 26 4YY 0.09183 1.03211 0.86152 0.19240 27 4ZZ 0.16940 0.86991 0.71333 0.20356 28 4XY 0.02652 0.03950 -0.02520 0.04576 29 4XZ 0.03534 0.02946 0.03321 0.02864 30 4YZ 0.13435 0.09306 0.08399 0.13413 31 3 H 1S 0.02599 0.05790 0.05288 0.00953 32 2S 0.00589 -0.03006 -0.10344 0.20090 33 4 H 1S 0.02606 -0.05779 -0.05291 -0.00954 34 2S 0.00582 0.03003 0.10345 -0.20099 35 5 C 1S -0.32495 0.08593 0.02298 0.39277 36 2S 1.72563 -0.30448 -0.55043 -0.87373 37 2PX -0.00028 0.02471 0.00170 0.04531 38 2PY 0.10206 -0.06426 -0.03231 -0.21924 39 2PZ -0.01361 0.08250 0.04365 0.00573 40 3S 2.16793 -0.90137 -0.12125 -5.51935 41 3PX 0.01950 -0.15418 0.31110 -0.05232 42 3PY -0.23911 0.30461 0.00207 2.02337 43 3PZ -0.10238 -0.27118 0.03782 -0.03675 44 4XX -1.23482 0.21665 0.24282 1.19477 45 4YY -1.24405 0.31210 0.19373 1.21159 46 4ZZ -1.34431 0.40269 0.32810 1.30164 47 4XY -0.03538 -0.04851 -0.05221 0.04594 48 4XZ -0.10948 -0.03199 0.03955 0.05688 49 4YZ 0.01726 -0.10898 -0.02981 -0.00122 50 6 H 1S 0.06099 -0.02977 -0.02732 -0.05777 51 2S -0.29865 0.01795 0.01174 -0.08154 52 7 C 1S -0.32493 -0.08618 -0.02303 -0.39278 53 2S 1.72549 0.30553 0.55064 0.87372 54 2PX -0.00028 -0.02470 -0.00173 -0.04533 55 2PY -0.10202 -0.06428 -0.03233 -0.21923 56 2PZ -0.01354 -0.08249 -0.04366 -0.00581 57 3S 2.16756 0.90319 0.12177 5.51970 58 3PX 0.01953 0.15441 -0.31106 0.05256 59 3PY 0.23901 0.30456 0.00238 2.02350 60 3PZ -0.10251 0.27097 -0.03777 0.03733 61 4XX -1.23475 -0.21751 -0.24298 -1.19475 62 4YY -1.24392 -0.31297 -0.19388 -1.21158 63 4ZZ -1.34414 -0.40360 -0.32835 -1.30171 64 4XY 0.03543 -0.04847 -0.05222 0.04598 65 4XZ -0.10947 0.03189 -0.03954 -0.05685 66 4YZ -0.01712 -0.10895 -0.02981 -0.00117 67 8 H 1S 0.06097 0.02979 0.02734 0.05775 68 2S -0.29863 -0.01829 -0.01169 0.08159 69 9 C 1S 0.15480 0.29143 -0.11665 -0.17098 70 2S -0.79071 -1.32797 0.58150 0.43136 71 2PX 0.05395 0.05425 -0.04244 0.02026 72 2PY 0.02486 -0.05014 0.01611 -0.00946 73 2PZ 0.05701 0.03211 -0.00605 -0.00106 74 3S -1.21193 -2.29909 1.01403 3.92809 75 3PX -0.17618 -0.15610 0.15128 0.65391 76 3PY -0.10622 0.32357 -0.04774 -0.64207 77 3PZ -0.15410 0.00263 -0.05640 0.74916 78 4XX 0.63435 1.02483 -0.43317 -0.51966 79 4YY 0.53308 1.17953 -0.50588 -0.59548 80 4ZZ 0.65503 1.01264 -0.42362 -0.54984 81 4XY 0.08114 0.00043 -0.03828 -0.09696 82 4XZ 0.08052 -0.02237 -0.03037 -0.06912 83 4YZ 0.07649 0.02113 0.00165 -0.09880 84 10 H 1S -0.00552 -0.02199 0.00318 -0.13589 85 2S 0.14792 0.27668 -0.04660 -0.15709 86 11 H 1S -0.01553 0.01869 -0.01553 -0.11005 87 2S 0.16923 0.32370 -0.21111 -0.09266 88 12 C 1S 0.15495 -0.29134 0.11657 0.17103 89 2S -0.79146 1.32755 -0.58115 -0.43150 90 2PX 0.05394 -0.05422 0.04242 -0.02026 91 2PY -0.02485 -0.05014 0.01610 -0.00944 92 2PZ 0.05704 -0.03210 0.00605 0.00109 93 3S -1.21310 2.29819 -1.01373 -3.92843 94 3PX -0.17613 0.15597 -0.15134 -0.65361 95 3PY 0.10616 0.32369 -0.04784 -0.64179 96 3PZ -0.15412 -0.00264 0.05630 -0.74985 97 4XX 0.63481 -1.02447 0.43285 0.51986 98 4YY 0.53377 -1.17924 0.50565 0.59569 99 4ZZ 0.65561 -1.01222 0.42334 0.54990 100 4XY -0.08112 0.00039 -0.03832 -0.09695 101 4XZ 0.08048 0.02240 0.03038 0.06906 102 4YZ -0.07662 0.02095 0.00171 -0.09884 103 13 H 1S -0.01556 -0.01870 0.01555 0.11011 104 2S 0.16946 -0.32368 0.21102 0.09258 105 14 H 1S -0.00549 0.02203 -0.00315 0.13583 106 2S 0.14808 -0.27651 0.04647 0.15722 107 15 C 1S 0.03359 -0.04642 0.31063 -0.18585 108 2S 0.05309 0.23106 -1.25872 0.07147 109 2PX -0.01410 0.00467 -0.00585 0.07541 110 2PY -0.01685 0.02110 -0.14752 0.04652 111 2PZ 0.00967 0.02971 0.10665 -0.04511 112 3S -0.59275 0.11241 -3.68968 4.80650 113 3PX -0.01185 -0.53468 -0.13464 0.43914 114 3PY -0.09407 0.21259 0.93529 -1.07438 115 3PZ -0.24087 -0.51686 -0.73578 1.72970 116 4XX 0.03749 -0.17739 1.10340 -0.39285 117 4YY 0.07352 -0.23297 1.31692 -0.58813 118 4ZZ 0.07171 -0.17502 1.09341 -0.47073 119 4XY 0.02966 -0.01086 -0.00411 0.00302 120 4XZ 0.01269 -0.05352 0.02104 0.01951 121 4YZ -0.01694 -0.02536 0.05676 -0.02249 122 16 H 1S 0.02197 -0.08374 -0.05170 -0.00396 123 2S -0.00224 -0.33531 0.08720 0.23153 124 17 C 1S 0.03354 0.04673 -0.31066 0.18574 125 2S 0.05335 -0.23226 1.25881 -0.07100 126 2PX -0.01409 -0.00472 0.00587 -0.07538 127 2PY 0.01682 0.02112 -0.14751 0.04652 128 2PZ 0.00966 -0.02960 -0.10664 0.04504 129 3S -0.59214 -0.11444 3.68990 -4.80636 130 3PX -0.01154 0.53473 0.13452 -0.43914 131 3PY 0.09401 0.21278 0.93536 -1.07456 132 3PZ -0.24071 0.51634 0.73561 -1.72965 133 4XX 0.03730 0.17847 -1.10350 0.39238 134 4YY 0.07324 0.23392 -1.31700 0.58778 135 4ZZ 0.07151 0.17618 -1.09354 0.47032 136 4XY -0.02966 -0.01090 -0.00411 0.00298 137 4XZ 0.01269 0.05356 -0.02106 -0.01956 138 4YZ 0.01693 -0.02537 0.05680 -0.02251 139 18 H 1S 0.02200 0.08368 0.05170 0.00401 140 2S -0.00235 0.33560 -0.08730 -0.23171 141 19 O 1S -0.05015 0.00612 -0.07062 0.14312 142 2S -0.11591 -0.04411 -0.10898 0.38783 143 2PX 0.01285 -0.02064 0.03438 -0.04987 144 2PY 0.01934 -0.01528 0.04154 -0.05880 145 2PZ 0.01894 0.00466 0.03696 -0.02491 146 3S 0.80766 0.22538 1.35932 -2.85307 147 3PX -0.10603 -0.10675 -0.14819 0.66249 148 3PY -0.15819 -0.03403 -0.16466 0.41697 149 3PZ -0.09111 -0.11107 -0.05953 0.29665 150 4XX -0.14935 0.06109 -0.26275 0.37542 151 4YY -0.12367 0.02432 -0.25071 0.46327 152 4ZZ -0.18363 0.03992 -0.27998 0.50516 153 4XY -0.01555 0.02518 -0.05488 -0.03117 154 4XZ 0.01552 0.02925 -0.11927 -0.01062 155 4YZ -0.00835 0.02744 -0.03855 -0.01410 156 20 O 1S -0.05010 -0.00629 0.07059 -0.14316 157 2S -0.11583 0.04381 0.10893 -0.38791 158 2PX 0.01283 0.02071 -0.03438 0.04986 159 2PY -0.01932 -0.01538 0.04152 -0.05877 160 2PZ 0.01893 -0.00463 -0.03700 0.02493 161 3S 0.80690 -0.22282 -1.35893 2.85371 162 3PX -0.10590 0.10651 0.14819 -0.66260 163 3PY 0.15810 -0.03356 -0.16447 0.41684 164 3PZ -0.09106 0.11112 0.05962 -0.29695 165 4XX -0.14917 -0.06169 0.26264 -0.37549 166 4YY -0.12348 -0.02484 0.25060 -0.46345 167 4ZZ -0.18345 -0.04054 0.27991 -0.50521 168 4XY 0.01556 0.02516 -0.05486 -0.03119 169 4XZ 0.01551 -0.02935 0.11930 0.01069 170 4YZ 0.00833 0.02749 -0.03855 -0.01416 171 21 C 1S -0.04517 0.00005 0.00000 0.00002 172 2S 0.21440 -0.00032 0.00001 -0.00004 173 2PX 0.05543 0.00001 0.00001 -0.00002 174 2PY 0.00000 -0.00103 -0.02510 0.05383 175 2PZ 0.00667 0.00002 0.00001 0.00000 176 3S -0.03200 -0.00070 -0.00019 -0.00020 177 3PX 0.02944 0.00017 0.00006 0.00009 178 3PY 0.00000 0.06129 -0.10478 0.04681 179 3PZ 0.10202 -0.00010 0.00003 0.00000 180 4XX -0.18209 0.00021 0.00000 0.00005 181 4YY -0.15450 0.00025 0.00001 0.00010 182 4ZZ -0.17177 0.00019 0.00001 0.00006 183 4XY -0.00001 -0.00813 -0.02061 0.02147 184 4XZ 0.00265 0.00002 0.00000 -0.00001 185 4YZ 0.00000 0.01137 0.00286 0.00295 186 22 H 1S 0.04392 0.00000 0.00001 0.00000 187 2S -0.00086 0.00002 0.00001 0.00000 188 23 H 1S 0.01820 0.00004 0.00001 0.00001 189 2S -0.07050 0.00013 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 0.35516 4 2PY -0.00097 -0.00036 -0.00139 0.41443 5 2PZ -0.00131 -0.00543 0.03125 -0.00023 0.40211 6 3S -0.15830 0.24228 -0.00291 -0.01318 0.04226 7 3PX -0.00114 0.00316 0.21933 -0.01073 -0.03528 8 3PY -0.00251 0.01344 -0.02696 0.13649 0.00084 9 3PZ -0.00982 0.03047 -0.04210 0.01217 0.12273 10 4XX -0.01240 -0.01304 -0.00071 0.00285 0.00347 11 4YY -0.01693 -0.00310 -0.00128 -0.01322 0.00402 12 4ZZ -0.01781 -0.00166 0.00664 0.01342 -0.00165 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 0.00072 0.01435 16 2 C 1S 0.01657 -0.03200 0.00532 0.07761 -0.00240 17 2S -0.03200 0.05429 -0.00510 -0.16009 0.00887 18 2PX 0.00531 -0.00507 0.15912 0.00473 -0.06116 19 2PY -0.07761 0.16009 -0.00480 -0.31360 0.00712 20 2PZ -0.00242 0.00892 -0.06116 -0.00720 0.03633 21 3S -0.00528 0.03318 -0.06256 -0.12722 -0.01568 22 3PX 0.00336 -0.00531 0.10962 -0.00901 -0.03495 23 3PY -0.01369 0.04243 -0.01075 -0.09233 0.00473 24 3PZ 0.00238 -0.01063 -0.02033 -0.02060 0.04580 25 4XX 0.00227 -0.00499 0.00126 0.00696 0.00064 26 4YY -0.00698 0.01226 0.00002 -0.00598 -0.00110 27 4ZZ 0.00297 -0.00672 0.00035 0.01109 -0.00034 28 4XY -0.00005 0.00010 0.01330 -0.00062 0.00048 29 4XZ 0.00043 -0.00120 0.00055 0.00204 -0.00042 30 4YZ -0.00025 -0.00026 0.00001 0.00121 0.01310 31 3 H 1S -0.06047 0.11437 0.10772 0.13129 0.20429 32 2S -0.01307 0.02613 0.10366 0.11571 0.18745 33 4 H 1S 0.01228 -0.02561 -0.00302 0.04307 -0.02280 34 2S 0.01413 -0.02480 -0.01687 0.08411 -0.04847 35 5 C 1S 0.01820 -0.03656 0.01017 -0.03661 0.07343 36 2S -0.03387 0.06338 -0.01983 0.07638 -0.14772 37 2PX -0.01248 0.02890 0.18245 0.00838 -0.12425 38 2PY 0.03915 -0.07811 -0.00824 -0.05070 0.15366 39 2PZ -0.06919 0.14400 -0.15746 0.15693 -0.18237 40 3S -0.01204 0.03989 -0.00232 0.05282 -0.16227 41 3PX 0.00123 -0.00105 0.13401 -0.00031 -0.05753 42 3PY 0.01123 -0.02913 -0.01794 -0.00612 0.06278 43 3PZ -0.01450 0.03845 -0.08771 0.07192 -0.04938 44 4XX 0.00275 -0.00570 0.00647 -0.00277 0.00709 45 4YY 0.00161 -0.00337 0.00018 -0.01232 0.00173 46 4ZZ -0.00434 0.00758 -0.00511 0.00900 0.00395 47 4XY 0.00115 -0.00233 -0.00459 0.00024 0.00387 48 4XZ -0.00133 0.00236 0.01199 0.00174 -0.00221 49 4YZ 0.00435 -0.00871 0.00393 0.00304 0.00980 50 6 H 1S 0.01202 -0.02505 -0.00096 -0.03530 0.02659 51 2S 0.01331 -0.02557 -0.00975 -0.07177 0.04539 52 7 C 1S -0.00341 0.00805 -0.00518 -0.01241 -0.00307 53 2S 0.00799 -0.01931 0.01249 0.03302 0.00919 54 2PX 0.00013 0.00050 -0.02109 -0.00143 0.00883 55 2PY 0.01143 -0.02690 0.00684 0.03367 0.00518 56 2PZ 0.00945 -0.03039 0.01522 0.03576 0.01474 57 3S 0.00706 -0.01922 0.03004 0.02490 0.04787 58 3PX 0.00155 -0.00072 -0.03300 0.01268 0.01350 59 3PY 0.00343 -0.00953 0.01630 -0.00509 0.00176 60 3PZ 0.00615 -0.01691 0.02829 0.02793 0.01868 61 4XX 0.00018 -0.00032 -0.00004 0.00146 0.00054 62 4YY -0.00185 0.00428 0.00018 -0.00989 -0.00142 63 4ZZ 0.00103 -0.00218 -0.00229 0.00349 0.00131 64 4XY -0.00017 0.00048 0.00264 -0.00132 -0.00153 65 4XZ 0.00042 -0.00068 0.00707 0.00076 -0.00333 66 4YZ -0.00123 0.00226 -0.00037 -0.00717 -0.00061 67 8 H 1S -0.00834 0.01854 -0.00155 -0.03521 -0.00165 68 2S -0.01169 0.02553 0.00346 -0.06911 -0.01170 69 9 C 1S -0.00306 0.00583 -0.00800 0.00177 -0.01006 70 2S 0.00645 -0.01548 0.01868 -0.00611 0.02653 71 2PX 0.00665 -0.01796 -0.01458 -0.00155 0.04035 72 2PY 0.00144 -0.00333 0.00706 0.00385 0.00503 73 2PZ 0.01299 -0.03364 0.02312 -0.01220 0.03949 74 3S 0.00807 -0.01542 0.07164 0.00863 0.03253 75 3PX 0.00507 -0.01254 -0.00726 0.01112 0.03983 76 3PY 0.00350 -0.00783 0.01743 0.00438 0.01672 77 3PZ 0.00772 -0.01716 0.00501 -0.00145 0.02930 78 4XX 0.00040 -0.00111 0.00870 -0.00081 -0.00240 79 4YY 0.00066 -0.00161 0.00031 -0.00172 0.00373 80 4ZZ -0.00193 0.00383 -0.00968 0.00408 -0.00455 81 4XY 0.00037 -0.00095 -0.00075 -0.00158 0.00273 82 4XZ -0.00028 0.00057 -0.00043 0.00099 -0.00335 83 4YZ 0.00043 -0.00131 -0.00132 -0.00071 0.00275 84 10 H 1S 0.00146 -0.00212 0.03906 -0.00247 -0.01315 85 2S 0.00149 -0.00234 0.03687 0.00132 -0.01423 86 11 H 1S -0.00765 0.01861 -0.02815 0.01507 -0.01740 87 2S -0.01117 0.02683 -0.07205 0.02255 -0.02835 88 12 C 1S -0.00268 0.00518 -0.00449 -0.00369 -0.00385 89 2S 0.00477 -0.00901 0.01317 0.00692 0.00530 90 2PX 0.00575 -0.00900 0.01476 0.01710 0.00024 91 2PY 0.00391 -0.00923 -0.01092 -0.01171 0.02808 92 2PZ 0.00545 -0.01011 0.01765 0.01847 -0.00078 93 3S 0.01276 -0.02471 0.01194 0.02744 0.02149 94 3PX 0.00401 -0.00652 0.00234 0.02113 -0.00157 95 3PY 0.00322 -0.00782 -0.02236 -0.00754 0.02812 96 3PZ 0.00300 -0.00543 -0.00003 0.01412 0.00025 97 4XX -0.00003 0.00016 -0.00104 0.00096 0.00004 98 4YY -0.00013 0.00028 0.00171 -0.00189 0.00034 99 4ZZ -0.00007 -0.00015 -0.00005 0.00125 -0.00056 100 4XY 0.00012 -0.00054 -0.00063 0.00033 0.00079 101 4XZ 0.00034 -0.00061 0.00073 0.00126 -0.00051 102 4YZ 0.00016 -0.00069 0.00022 -0.00093 0.00099 103 13 H 1S -0.00054 0.00024 0.00220 -0.00239 -0.00167 104 2S -0.00112 0.00003 -0.00423 -0.00404 0.00327 105 14 H 1S -0.00129 0.00194 -0.00672 0.00025 -0.00058 106 2S -0.00201 0.00357 -0.02592 0.00482 0.00549 107 15 C 1S -0.00147 0.00123 0.00411 -0.00076 -0.00342 108 2S 0.00106 -0.00455 -0.01445 0.00061 0.01439 109 2PX -0.00434 0.01454 0.01846 -0.00451 -0.02131 110 2PY 0.00049 -0.00143 -0.00663 0.00325 0.00218 111 2PZ 0.00469 -0.01529 -0.00157 0.00046 0.01566 112 3S 0.00628 0.00376 -0.02070 0.00929 -0.00711 113 3PX -0.00386 0.01646 0.02050 -0.00476 -0.03439 114 3PY 0.00121 -0.01053 0.00788 -0.00273 0.01736 115 3PZ 0.00700 -0.00537 -0.00983 0.00211 -0.00169 116 4XX -0.00017 0.00025 0.00359 -0.00040 -0.00053 117 4YY -0.00029 -0.00008 -0.00185 -0.00028 0.00138 118 4ZZ -0.00095 0.00042 0.00117 -0.00018 -0.00156 119 4XY 0.00007 0.00026 -0.00515 0.00109 0.00182 120 4XZ 0.00034 -0.00041 -0.00639 0.00051 0.00303 121 4YZ 0.00007 -0.00025 0.00503 -0.00085 -0.00227 122 16 H 1S -0.00109 0.00302 -0.02315 0.00384 0.00499 123 2S -0.00149 0.00769 -0.03342 0.00295 -0.00292 124 17 C 1S -0.00081 0.00203 0.00962 -0.00215 -0.00592 125 2S 0.00108 -0.00181 -0.02495 0.00412 0.01178 126 2PX -0.00283 0.00629 0.07962 -0.01586 -0.04183 127 2PY 0.00030 -0.00018 0.00869 -0.00476 -0.00047 128 2PZ 0.00256 -0.00487 -0.07391 0.01329 0.03685 129 3S 0.00323 -0.01718 -0.02582 0.00651 0.04044 130 3PX -0.00175 0.00019 0.07629 -0.02020 -0.03054 131 3PY 0.00071 -0.00701 0.03392 -0.00774 -0.00101 132 3PZ 0.00133 -0.00757 -0.04356 0.00501 0.03447 133 4XX -0.00011 0.00030 -0.00113 0.00025 0.00034 134 4YY -0.00013 0.00012 -0.00060 -0.00051 0.00067 135 4ZZ -0.00033 0.00043 0.00323 -0.00056 -0.00212 136 4XY -0.00019 0.00064 0.00062 -0.00022 -0.00096 137 4XZ 0.00001 -0.00032 -0.00079 -0.00004 0.00078 138 4YZ 0.00005 -0.00062 0.00010 0.00000 0.00077 139 18 H 1S -0.00026 -0.00090 0.01476 -0.00167 -0.00642 140 2S -0.00046 -0.00318 0.04094 -0.01070 -0.01043 141 19 O 1S -0.00016 0.00196 0.00628 0.00032 -0.00258 142 2S 0.00099 -0.00335 -0.01491 -0.00049 0.00319 143 2PX -0.00076 0.01200 0.02457 0.00146 -0.00917 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 -0.03774 -0.00003 0.02601 147 3PX 0.00044 0.00850 0.01226 0.00192 -0.00782 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 -0.00008 156 20 O 1S 0.00018 -0.00032 -0.00064 -0.00007 0.00055 157 2S 0.00030 -0.00040 0.00313 -0.00067 -0.00034 158 2PX 0.00062 0.00051 -0.02006 0.00057 0.01189 159 2PY 0.00034 -0.00149 -0.00167 0.00222 -0.00109 160 2PZ -0.00118 0.00069 0.02970 -0.00331 -0.01574 161 3S -0.00278 0.00563 -0.00738 0.00387 -0.00661 162 3PX 0.00096 -0.00146 -0.01782 0.00060 0.01388 163 3PY -0.00088 0.00020 -0.00990 0.00307 0.00115 164 3PZ -0.00123 0.00051 0.03368 -0.00485 -0.01600 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 -0.01071 0.00231 0.00345 173 2PX -0.00019 -0.00090 0.00184 -0.00183 0.00043 174 2PY 0.00002 0.00104 0.01261 -0.00063 -0.00513 175 2PZ 0.00044 0.00038 -0.00407 -0.00065 -0.00103 176 3S 0.00164 -0.00176 -0.00665 0.00142 0.00526 177 3PX -0.00074 0.00010 -0.02493 0.00075 0.00664 178 3PY -0.00013 0.00005 0.01587 -0.00148 -0.00357 179 3PZ 0.00020 -0.00051 -0.00434 -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 -0.00043 -0.00223 0.00288 -0.00129 -0.00121 187 2S -0.00064 -0.00290 0.02268 -0.00476 -0.01122 188 23 H 1S 0.00050 0.00107 -0.00437 0.00073 0.00111 189 2S 0.00031 0.00288 0.01399 0.00267 -0.00045 6 7 8 9 10 6 3S 0.23666 7 3PX -0.00653 0.14681 8 3PY -0.00804 -0.02135 0.05806 9 3PZ 0.02201 -0.04332 0.01311 0.05820 10 4XX -0.00857 -0.00095 0.00047 0.00024 0.00073 11 4YY -0.00281 -0.00122 -0.00303 0.00086 0.00012 12 4ZZ 0.00017 0.00369 0.00273 -0.00117 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 0.00534 0.00323 -0.00013 0.00261 0.00002 16 2 C 1S -0.00528 0.00336 0.01369 0.00238 0.00227 17 2S 0.03319 -0.00533 -0.04242 -0.01064 -0.00499 18 2PX -0.06256 0.10964 0.01072 -0.02031 0.00125 19 2PY 0.12724 0.00898 -0.09234 0.02056 -0.00696 20 2PZ -0.01564 -0.03494 -0.00477 0.04580 0.00063 21 3S -0.00851 -0.03447 -0.01714 0.00083 -0.00356 22 3PX -0.03448 0.07523 0.00229 -0.01982 0.00081 23 3PY 0.01714 -0.00230 -0.01732 0.01293 -0.00164 24 3PZ 0.00084 -0.01983 -0.01293 0.01830 0.00020 25 4XX -0.00356 0.00082 0.00164 0.00020 0.00030 26 4YY 0.01149 0.00057 -0.00273 0.00085 -0.00045 27 4ZZ -0.00851 -0.00037 0.00483 0.00041 0.00033 28 4XY 0.00173 0.00840 -0.00185 -0.00254 -0.00007 29 4XZ -0.00212 0.00081 0.00050 -0.00078 -0.00002 30 4YZ 0.00433 -0.00212 -0.00016 0.00298 0.00010 31 3 H 1S 0.11163 0.03753 0.03854 0.06087 -0.00203 32 2S 0.05136 0.03642 0.02568 0.04162 0.00088 33 4 H 1S -0.06018 0.00165 0.01990 0.00236 0.00081 34 2S -0.06560 -0.00207 0.03592 0.00210 0.00146 35 5 C 1S 0.00947 -0.00716 -0.00664 0.00572 0.00197 36 2S 0.01598 0.00750 0.01373 -0.03328 -0.00391 37 2PX 0.01397 0.12103 -0.00594 -0.06025 -0.00460 38 2PY -0.09105 -0.02348 0.00955 0.05156 0.00268 39 2PZ 0.06287 -0.07218 0.08829 -0.01031 -0.00488 40 3S -0.02059 0.01950 0.00713 -0.03123 -0.00338 41 3PX 0.00535 0.08765 -0.01719 -0.03954 -0.00206 42 3PY -0.01666 -0.01808 0.00190 0.01565 0.00127 43 3PZ 0.00407 -0.04373 0.04173 0.00715 -0.00047 44 4XX -0.00163 0.00328 -0.00219 0.00056 0.00031 45 4YY -0.00546 0.00019 -0.00297 0.00071 -0.00004 46 4ZZ 0.00805 -0.00416 0.00397 0.00238 -0.00013 47 4XY -0.00182 -0.00308 -0.00027 0.00168 0.00014 48 4XZ 0.00125 0.00835 -0.00080 -0.00240 -0.00008 49 4YZ -0.00542 0.00080 -0.00012 0.00183 0.00041 50 6 H 1S -0.05396 -0.00252 -0.00018 0.01405 -0.00034 51 2S -0.05133 -0.00956 -0.00649 0.02119 0.00002 52 7 C 1S -0.00220 0.00079 -0.00504 0.00764 -0.00014 53 2S -0.01801 0.00485 0.01555 -0.00395 0.00036 54 2PX -0.00518 -0.02906 0.01320 0.01656 0.00090 55 2PY -0.08499 -0.00005 0.04884 -0.00307 0.00028 56 2PZ 0.04251 -0.00317 -0.01167 -0.04324 -0.00088 57 3S -0.00698 0.00545 0.01195 0.00648 0.00071 58 3PX -0.02004 -0.02960 0.02142 0.02114 0.00118 59 3PY -0.02323 0.00539 0.00733 -0.00345 -0.00002 60 3PZ 0.02045 0.01332 -0.00760 -0.02031 -0.00014 61 4XX -0.00182 -0.00031 0.00178 0.00101 0.00010 62 4YY 0.00641 0.00066 -0.00506 -0.00003 -0.00018 63 4ZZ -0.00234 -0.00170 0.00134 -0.00003 0.00002 64 4XY 0.00040 0.00147 -0.00022 -0.00093 -0.00005 65 4XZ -0.00340 0.00530 0.00078 -0.00191 0.00005 66 4YZ 0.00410 -0.00031 -0.00249 -0.00173 -0.00020 67 8 H 1S 0.05321 0.00062 -0.03275 0.00182 -0.00046 68 2S 0.05940 0.00550 -0.04660 -0.00344 -0.00112 69 9 C 1S 0.00445 -0.00641 0.00522 -0.00358 -0.00080 70 2S -0.01031 0.01375 -0.00969 0.00673 0.00130 71 2PX 0.01306 -0.02221 -0.01513 -0.00044 0.00055 72 2PY 0.01034 0.00644 0.00586 -0.00698 0.00089 73 2PZ -0.02964 0.01984 -0.03845 0.01133 0.00258 74 3S 0.01325 0.04950 -0.02284 -0.00729 0.00150 75 3PX 0.00856 -0.01468 -0.00355 0.00516 0.00067 76 3PY -0.00848 0.01148 0.00722 -0.00017 0.00085 77 3PZ -0.00548 0.00461 -0.01771 0.00544 0.00143 78 4XX -0.00076 0.00586 -0.00178 -0.00163 -0.00001 79 4YY -0.00258 -0.00027 -0.00013 0.00133 0.00005 80 4ZZ 0.00336 -0.00567 0.00314 -0.00042 -0.00011 81 4XY 0.00144 -0.00151 -0.00105 -0.00007 0.00001 82 4XZ 0.00060 0.00016 -0.00100 -0.00128 -0.00005 83 4YZ -0.00064 -0.00078 -0.00167 0.00106 0.00009 84 10 H 1S -0.01503 0.03448 -0.00227 -0.00080 0.00050 85 2S -0.01375 0.02833 -0.00083 -0.00004 0.00001 86 11 H 1S 0.02093 -0.01981 0.02578 -0.00544 -0.00086 87 2S 0.02508 -0.04659 0.03337 -0.00233 -0.00103 88 12 C 1S 0.01311 -0.00380 -0.00348 -0.00236 -0.00035 89 2S -0.02268 0.00985 0.00517 0.00299 0.00054 90 2PX -0.06529 0.02460 0.01160 0.01822 0.00036 91 2PY -0.01717 -0.01253 -0.00780 0.01601 -0.00008 92 2PZ -0.04684 0.01384 0.02514 0.00414 0.00076 93 3S -0.06192 0.01100 0.02380 0.01169 0.00171 94 3PX -0.03592 0.00872 0.01072 0.01061 0.00035 95 3PY -0.01389 -0.01969 0.00107 0.01567 0.00006 96 3PZ -0.02413 0.00261 0.01506 0.00320 0.00046 97 4XX -0.00046 -0.00163 0.00205 0.00065 0.00006 98 4YY 0.00085 0.00143 -0.00180 0.00018 0.00000 99 4ZZ 0.00166 0.00045 -0.00059 -0.00151 -0.00007 100 4XY 0.00174 -0.00133 -0.00012 -0.00093 0.00001 101 4XZ -0.00292 0.00088 0.00124 0.00014 0.00001 102 4YZ -0.00025 0.00013 -0.00139 0.00026 0.00005 103 13 H 1S 0.01612 0.00419 -0.01297 -0.00567 -0.00017 104 2S 0.02478 -0.00013 -0.01711 -0.00733 -0.00038 105 14 H 1S 0.02356 -0.01370 0.00498 -0.00836 0.00027 106 2S 0.02297 -0.02955 0.00938 0.00074 0.00023 107 15 C 1S 0.00180 0.00602 -0.00355 -0.00327 -0.00073 108 2S -0.00136 -0.01485 0.00374 0.01037 0.00068 109 2PX -0.02215 0.02982 0.00268 -0.00666 0.00075 110 2PY 0.01124 -0.01356 0.00681 0.00130 0.00005 111 2PZ 0.00472 -0.01379 -0.00871 0.01234 -0.00027 112 3S 0.00523 -0.02069 0.00411 0.01026 0.00014 113 3PX -0.01598 0.02878 0.00352 -0.01176 -0.00002 114 3PY -0.00057 -0.00180 -0.00221 0.00331 0.00001 115 3PZ 0.00407 -0.01374 -0.00167 0.00581 -0.00049 116 4XX -0.00201 0.00154 -0.00031 0.00088 -0.00008 117 4YY -0.00025 -0.00116 0.00011 0.00057 0.00000 118 4ZZ 0.00264 0.00164 -0.00033 -0.00229 0.00003 119 4XY -0.00148 -0.00405 0.00142 0.00286 0.00001 120 4XZ 0.00013 -0.00434 0.00108 0.00204 0.00014 121 4YZ -0.00005 0.00456 -0.00177 -0.00225 -0.00004 122 16 H 1S 0.00796 -0.01781 0.01075 0.00167 0.00048 123 2S 0.00756 -0.02037 0.01380 0.00013 0.00043 124 17 C 1S 0.00054 0.00684 0.00000 -0.00510 -0.00014 125 2S 0.00015 -0.01759 0.00211 0.00932 0.00020 126 2PX 0.01601 0.06940 -0.02337 -0.04611 -0.00029 127 2PY -0.01387 0.01266 -0.00347 -0.00076 0.00023 128 2PZ -0.01085 -0.06697 0.02405 0.03744 0.00057 129 3S -0.01583 -0.02583 0.00756 0.02020 0.00058 130 3PX 0.01134 0.06199 -0.02274 -0.03712 -0.00019 131 3PY -0.00543 0.02751 -0.00859 -0.01206 -0.00002 132 3PZ -0.00496 -0.04223 0.01208 0.02568 0.00055 133 4XX -0.00046 -0.00154 0.00065 0.00092 0.00000 134 4YY 0.00001 -0.00039 -0.00041 0.00063 0.00001 135 4ZZ 0.00080 0.00298 -0.00042 -0.00198 -0.00004 136 4XY -0.00111 0.00146 0.00024 -0.00013 0.00005 137 4XZ 0.00195 -0.00054 -0.00065 -0.00062 -0.00002 138 4YZ 0.00064 -0.00051 -0.00063 0.00050 -0.00004 139 18 H 1S 0.00977 0.01278 -0.00786 -0.00834 -0.00030 140 2S 0.01501 0.03174 -0.01640 -0.01834 -0.00041 141 19 O 1S 0.00144 0.00170 0.00117 -0.00120 0.00003 142 2S -0.00728 -0.00502 -0.00105 0.00430 0.00029 143 2PX -0.02297 0.00607 0.00431 0.01173 -0.00189 144 2PY -0.00489 0.01113 -0.00433 -0.00846 -0.00082 145 2PZ 0.05105 0.00744 -0.01534 -0.03939 0.00109 146 3S -0.00297 -0.01931 -0.00177 0.00850 0.00056 147 3PX -0.01867 -0.00006 0.00417 0.01153 -0.00131 148 3PY -0.00433 0.01577 -0.00375 -0.00898 -0.00067 149 3PZ 0.03327 0.00943 -0.01007 -0.02902 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 -0.00150 -0.00036 -0.00011 0.00205 0.00009 157 2S 0.00641 0.00155 -0.00106 -0.00568 -0.00030 158 2PX -0.00855 -0.02169 0.00218 0.01803 -0.00010 159 2PY 0.00835 -0.00125 0.00103 -0.00503 -0.00007 160 2PZ -0.01133 0.03541 0.00041 -0.01215 -0.00015 161 3S 0.00589 -0.00152 0.00013 -0.00465 -0.00071 162 3PX -0.00559 -0.02051 0.00226 0.01529 0.00000 163 3PY 0.00722 -0.00685 0.00142 -0.00110 -0.00011 164 3PZ -0.00619 0.03489 -0.00288 -0.01450 -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 -0.00002 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 0.00017 0.00003 -0.00001 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 0.00692 -0.00236 -0.00256 -0.00017 175 2PZ -0.00741 -0.00286 -0.00161 0.00213 0.00037 176 3S 0.00125 -0.00937 0.00196 0.00541 0.00004 177 3PX -0.00035 -0.01784 0.00139 0.00728 -0.00007 178 3PY 0.00331 0.00998 -0.00365 -0.00533 -0.00030 179 3PZ 0.00190 0.00052 -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 0.00698 0.00700 -0.00194 -0.00765 0.00009 187 2S 0.01047 0.02740 -0.00600 -0.02104 0.00027 188 23 H 1S -0.00792 -0.00602 0.00032 0.00599 0.00017 189 2S -0.01359 0.00451 0.00105 0.00646 0.00001 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 -0.00029 0.00017 0.00002 0.00070 15 4YZ -0.00007 0.00015 0.00032 0.00039 0.00134 16 2 C 1S -0.00698 0.00297 0.00004 0.00043 0.00025 17 2S 0.01226 -0.00672 -0.00009 -0.00120 0.00027 18 2PX 0.00003 0.00035 -0.01330 0.00055 -0.00001 19 2PY 0.00598 -0.01109 -0.00061 -0.00205 0.00122 20 2PZ -0.00109 -0.00035 -0.00048 -0.00043 -0.01310 21 3S 0.01149 -0.00851 -0.00172 -0.00213 -0.00433 22 3PX 0.00057 -0.00037 -0.00840 0.00081 0.00212 23 3PY 0.00273 -0.00483 -0.00184 -0.00050 -0.00016 24 3PZ 0.00085 0.00040 0.00254 -0.00078 -0.00298 25 4XX -0.00045 0.00033 0.00007 -0.00002 -0.00010 26 4YY -0.00015 -0.00011 0.00013 0.00013 -0.00007 27 4ZZ -0.00011 0.00033 -0.00030 0.00007 0.00003 28 4XY -0.00013 0.00030 0.00034 -0.00017 0.00044 29 4XZ 0.00013 0.00007 0.00017 0.00000 -0.00026 30 4YZ 0.00006 -0.00003 0.00044 0.00026 0.00091 31 3 H 1S -0.00398 0.00568 0.00595 0.00815 0.01197 32 2S -0.00348 0.00601 0.00552 0.00608 0.01152 33 4 H 1S 0.00187 0.00086 -0.00413 -0.00003 -0.00776 34 2S -0.00152 0.00199 -0.00450 0.00047 -0.00806 35 5 C 1S 0.00121 -0.00362 0.00128 -0.00125 0.00482 36 2S -0.00332 0.00683 -0.00250 0.00243 -0.00896 37 2PX -0.00045 0.00425 0.00553 -0.00985 -0.00406 38 2PY 0.01327 -0.00905 -0.00056 -0.00317 -0.00230 39 2PZ -0.00352 -0.00331 -0.00434 0.00244 -0.00890 40 3S -0.00244 0.00650 -0.00289 -0.00010 -0.01073 41 3PX -0.00142 0.00442 0.00489 -0.00561 -0.00132 42 3PY 0.00390 -0.00289 0.00013 0.00002 -0.00060 43 3PZ -0.00119 -0.00263 -0.00337 0.00236 -0.00332 44 4XX -0.00012 0.00007 0.00022 -0.00014 0.00052 45 4YY 0.00096 -0.00069 -0.00013 -0.00045 -0.00038 46 4ZZ -0.00047 0.00016 0.00017 0.00046 0.00038 47 4XY 0.00005 -0.00003 0.00001 0.00021 -0.00005 48 4XZ -0.00026 0.00040 -0.00009 0.00017 0.00030 49 4YZ -0.00008 0.00031 0.00014 0.00007 0.00039 50 6 H 1S 0.00812 -0.00390 -0.00110 -0.00251 -0.00540 51 2S 0.00887 -0.00647 -0.00127 -0.00294 -0.00315 52 7 C 1S -0.00100 -0.00001 -0.00018 -0.00027 -0.00211 53 2S 0.00207 -0.00008 0.00030 0.00062 0.00444 54 2PX 0.00238 -0.00204 -0.00905 0.00203 0.00466 55 2PY 0.00428 -0.00059 -0.00091 0.00086 0.00633 56 2PZ 0.00262 0.00258 0.00719 0.00005 0.00605 57 3S 0.00177 0.00061 0.00034 0.00094 0.00699 58 3PX 0.00133 -0.00192 -0.00702 0.00233 0.00236 59 3PY 0.00120 0.00061 -0.00063 0.00008 0.00322 60 3PZ -0.00025 0.00243 0.00475 0.00025 0.00245 61 4XX -0.00014 0.00001 -0.00025 0.00002 -0.00016 62 4YY -0.00003 -0.00025 -0.00002 -0.00012 -0.00015 63 4ZZ 0.00017 0.00009 0.00023 -0.00001 -0.00012 64 4XY 0.00007 0.00001 -0.00017 -0.00005 0.00015 65 4XZ 0.00008 -0.00001 -0.00047 0.00007 0.00009 66 4YZ 0.00038 -0.00028 0.00009 -0.00005 0.00029 67 8 H 1S -0.00128 -0.00063 0.00001 -0.00045 -0.00187 68 2S -0.00111 -0.00081 0.00060 -0.00118 -0.00241 69 9 C 1S 0.00084 -0.00123 0.00009 -0.00097 -0.00088 70 2S -0.00166 0.00202 -0.00010 0.00212 0.00188 71 2PX -0.00297 0.00498 -0.00083 0.00442 0.00293 72 2PY -0.00122 0.00142 -0.00141 0.00173 0.00217 73 2PZ -0.00318 0.00489 -0.00066 0.00494 0.00269 74 3S -0.00463 0.00425 0.00151 0.00276 0.00347 75 3PX -0.00173 0.00267 0.00010 0.00257 0.00249 76 3PY 0.00016 0.00012 -0.00119 0.00113 0.00223 77 3PZ -0.00177 0.00200 0.00006 0.00265 0.00177 78 4XX -0.00013 0.00034 0.00024 -0.00028 0.00002 79 4YY 0.00035 -0.00027 -0.00006 -0.00006 -0.00004 80 4ZZ -0.00012 -0.00016 -0.00026 0.00023 -0.00020 81 4XY 0.00008 0.00007 -0.00006 0.00010 0.00004 82 4XZ -0.00025 0.00033 -0.00008 0.00020 -0.00006 83 4YZ 0.00006 0.00005 -0.00005 0.00018 0.00002 84 10 H 1S 0.00001 -0.00025 0.00095 -0.00152 -0.00018 85 2S 0.00008 0.00050 0.00209 -0.00261 -0.00057 86 11 H 1S 0.00025 -0.00164 -0.00075 -0.00061 -0.00052 87 2S 0.00042 -0.00286 -0.00152 -0.00015 -0.00176 88 12 C 1S -0.00016 0.00006 0.00019 -0.00011 0.00014 89 2S 0.00029 -0.00012 -0.00042 0.00015 -0.00067 90 2PX -0.00029 0.00036 0.00099 -0.00019 -0.00117 91 2PY 0.00184 -0.00130 0.00100 -0.00036 0.00007 92 2PZ -0.00088 0.00025 -0.00074 0.00048 -0.00095 93 3S 0.00200 -0.00190 -0.00316 0.00126 -0.00103 94 3PX -0.00052 0.00053 0.00054 -0.00016 -0.00135 95 3PY 0.00223 -0.00173 0.00070 -0.00043 0.00022 96 3PZ -0.00037 -0.00022 -0.00025 0.00036 -0.00098 97 4XX 0.00001 -0.00005 -0.00043 0.00007 0.00011 98 4YY -0.00009 0.00003 0.00006 -0.00001 -0.00010 99 4ZZ 0.00003 0.00008 0.00040 -0.00004 0.00011 100 4XY -0.00007 0.00016 -0.00004 0.00014 0.00020 101 4XZ 0.00004 -0.00002 0.00000 0.00002 0.00009 102 4YZ -0.00002 0.00011 -0.00006 0.00013 0.00019 103 13 H 1S 0.00009 0.00061 0.00118 -0.00007 0.00062 104 2S -0.00011 0.00099 0.00307 -0.00015 0.00105 105 14 H 1S -0.00023 0.00005 -0.00205 0.00071 0.00073 106 2S -0.00045 0.00039 -0.00214 0.00074 0.00096 107 15 C 1S -0.00019 -0.00079 -0.00064 0.00042 0.00008 108 2S -0.00014 0.00054 0.00110 -0.00088 -0.00014 109 2PX 0.00203 -0.00379 -0.00483 0.00371 0.00084 110 2PY -0.00055 0.00138 0.00092 -0.00057 -0.00005 111 2PZ -0.00171 0.00331 0.00453 -0.00410 -0.00075 112 3S -0.00167 0.00223 0.00139 -0.00138 -0.00157 113 3PX 0.00135 -0.00275 -0.00429 0.00246 -0.00006 114 3PY 0.00028 0.00112 0.00220 -0.00125 0.00037 115 3PZ -0.00116 0.00202 0.00254 -0.00261 -0.00142 116 4XX 0.00002 0.00034 0.00016 -0.00009 0.00004 117 4YY 0.00008 -0.00010 -0.00001 0.00003 -0.00002 118 4ZZ -0.00005 -0.00020 -0.00016 0.00007 0.00003 119 4XY -0.00003 0.00001 -0.00002 0.00001 0.00002 120 4XZ 0.00004 -0.00024 -0.00010 0.00012 -0.00001 121 4YZ -0.00001 -0.00005 0.00005 -0.00003 -0.00003 122 16 H 1S 0.00024 -0.00076 -0.00114 0.00097 0.00011 123 2S 0.00047 -0.00211 -0.00285 0.00166 -0.00013 124 17 C 1S -0.00010 0.00004 0.00000 0.00007 -0.00005 125 2S 0.00011 -0.00016 0.00028 -0.00010 -0.00032 126 2PX 0.00035 -0.00074 -0.00042 0.00113 -0.00001 127 2PY 0.00051 -0.00118 -0.00071 0.00026 0.00007 128 2PZ -0.00016 0.00058 -0.00046 -0.00087 0.00003 129 3S 0.00130 -0.00033 0.00078 -0.00070 0.00103 130 3PX 0.00030 -0.00036 -0.00031 0.00039 0.00091 131 3PY 0.00056 -0.00039 0.00069 -0.00027 0.00071 132 3PZ 0.00012 0.00040 0.00021 -0.00058 0.00087 133 4XX 0.00004 0.00008 -0.00016 0.00003 0.00005 134 4YY 0.00000 0.00000 0.00008 -0.00003 -0.00004 135 4ZZ -0.00003 -0.00006 -0.00002 0.00005 0.00001 136 4XY 0.00008 -0.00023 -0.00031 0.00019 0.00002 137 4XZ -0.00006 0.00007 0.00031 -0.00005 -0.00011 138 4YZ -0.00008 0.00020 0.00030 -0.00021 -0.00004 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 0.00028 0.00067 0.00020 -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 0.00001 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 -0.00021 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 -0.00070 -0.00152 0.00075 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 0.00001 -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 -0.00011 -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 -0.00041 -0.00097 -0.00025 0.00031 -0.00007 187 2S -0.00060 -0.00197 -0.00113 0.00088 0.00011 188 23 H 1S 0.00029 0.00050 0.00017 -0.00018 0.00001 189 2S 0.00042 0.00117 -0.00023 -0.00015 0.00039 16 17 18 19 20 16 2 C 1S 2.05282 17 2S -0.06255 0.32755 18 2PX 0.00140 -0.00251 0.35515 19 2PY 0.00096 0.00036 0.00138 0.41443 20 2PZ -0.00131 -0.00543 0.03125 0.00023 0.40211 21 3S -0.15830 0.24228 -0.00290 0.01317 0.04226 22 3PX -0.00113 0.00315 0.21933 0.01072 -0.03527 23 3PY 0.00251 -0.01345 0.02697 0.13648 -0.00083 24 3PZ -0.00982 0.03047 -0.04209 -0.01216 0.12272 25 4XX -0.01240 -0.01304 -0.00071 -0.00285 0.00347 26 4YY -0.01693 -0.00309 -0.00128 0.01322 0.00403 27 4ZZ -0.01781 -0.00166 0.00663 -0.01342 -0.00167 28 4XY 0.00134 -0.00254 -0.00125 0.00159 -0.00728 29 4XZ -0.00350 0.00743 -0.00287 -0.00739 0.00687 30 4YZ 0.00175 -0.00281 -0.00874 0.00074 -0.01435 31 3 H 1S 0.01228 -0.02561 -0.00303 -0.04306 -0.02281 32 2S 0.01413 -0.02480 -0.01689 -0.08409 -0.04849 33 4 H 1S -0.06047 0.11437 0.10769 -0.13137 0.20426 34 2S -0.01307 0.02613 0.10363 -0.11578 0.18742 35 5 C 1S -0.00341 0.00805 -0.00518 0.01241 -0.00307 36 2S 0.00799 -0.01931 0.01249 -0.03302 0.00918 37 2PX 0.00013 0.00049 -0.02109 0.00143 0.00884 38 2PY -0.01144 0.02691 -0.00683 0.03369 -0.00518 39 2PZ 0.00945 -0.03038 0.01521 -0.03576 0.01473 40 3S 0.00707 -0.01923 0.03009 -0.02493 0.04787 41 3PX 0.00155 -0.00072 -0.03302 -0.01268 0.01350 42 3PY -0.00344 0.00955 -0.01634 -0.00507 -0.00177 43 3PZ 0.00614 -0.01690 0.02828 -0.02794 0.01866 44 4XX 0.00018 -0.00032 -0.00004 -0.00146 0.00054 45 4YY -0.00185 0.00428 0.00018 0.00989 -0.00142 46 4ZZ 0.00103 -0.00218 -0.00230 -0.00349 0.00132 47 4XY 0.00017 -0.00048 -0.00264 -0.00132 0.00153 48 4XZ 0.00043 -0.00068 0.00707 -0.00076 -0.00333 49 4YZ 0.00123 -0.00226 0.00037 -0.00717 0.00061 50 6 H 1S -0.00834 0.01853 -0.00154 0.03521 -0.00164 51 2S -0.01169 0.02553 0.00348 0.06912 -0.01169 52 7 C 1S 0.01820 -0.03656 0.01017 0.03658 0.07344 53 2S -0.03387 0.06338 -0.01983 -0.07633 -0.14775 54 2PX -0.01248 0.02889 0.18248 -0.00836 -0.12423 55 2PY -0.03913 0.07807 0.00827 -0.05062 -0.15360 56 2PZ -0.06921 0.14402 -0.15744 -0.15686 -0.18248 57 3S -0.01204 0.03990 -0.00233 -0.05276 -0.16229 58 3PX 0.00123 -0.00105 0.13404 0.00030 -0.05751 59 3PY -0.01122 0.02913 0.01793 -0.00608 -0.06276 60 3PZ -0.01451 0.03846 -0.08769 -0.07189 -0.04943 61 4XX 0.00275 -0.00570 0.00647 0.00276 0.00709 62 4YY 0.00162 -0.00337 0.00018 0.01232 0.00174 63 4ZZ -0.00434 0.00759 -0.00512 -0.00900 0.00395 64 4XY -0.00115 0.00233 0.00459 0.00024 -0.00387 65 4XZ -0.00133 0.00236 0.01199 -0.00174 -0.00222 66 4YZ -0.00435 0.00871 -0.00393 0.00305 -0.00980 67 8 H 1S 0.01202 -0.02505 -0.00095 0.03529 0.02659 68 2S 0.01331 -0.02557 -0.00975 0.07176 0.04541 69 9 C 1S -0.00268 0.00519 -0.00450 0.00369 -0.00385 70 2S 0.00478 -0.00902 0.01319 -0.00692 0.00530 71 2PX 0.00575 -0.00901 0.01475 -0.01711 0.00024 72 2PY -0.00392 0.00924 0.01090 -0.01170 -0.02809 73 2PZ 0.00544 -0.01011 0.01766 -0.01848 -0.00081 74 3S 0.01276 -0.02471 0.01194 -0.02743 0.02148 75 3PX 0.00401 -0.00652 0.00230 -0.02113 -0.00156 76 3PY -0.00322 0.00783 0.02237 -0.00754 -0.02813 77 3PZ 0.00299 -0.00542 -0.00005 -0.01411 0.00022 78 4XX -0.00003 0.00016 -0.00104 -0.00096 0.00004 79 4YY -0.00013 0.00028 0.00171 0.00189 0.00034 80 4ZZ -0.00007 -0.00015 -0.00005 -0.00125 -0.00056 81 4XY -0.00012 0.00054 0.00063 0.00033 -0.00079 82 4XZ 0.00034 -0.00061 0.00073 -0.00126 -0.00052 83 4YZ -0.00016 0.00069 -0.00022 -0.00093 -0.00099 84 10 H 1S -0.00129 0.00194 -0.00672 -0.00025 -0.00058 85 2S -0.00202 0.00358 -0.02595 -0.00482 0.00550 86 11 H 1S -0.00055 0.00025 0.00219 0.00239 -0.00167 87 2S -0.00112 0.00004 -0.00427 0.00404 0.00328 88 12 C 1S -0.00306 0.00583 -0.00801 -0.00176 -0.01006 89 2S 0.00645 -0.01548 0.01869 0.00610 0.02653 90 2PX 0.00664 -0.01796 -0.01458 0.00154 0.04034 91 2PY -0.00145 0.00334 -0.00706 0.00385 -0.00505 92 2PZ 0.01299 -0.03365 0.02311 0.01219 0.03951 93 3S 0.00807 -0.01543 0.07167 -0.00867 0.03254 94 3PX 0.00507 -0.01254 -0.00724 -0.01113 0.03981 95 3PY -0.00350 0.00783 -0.01741 0.00438 -0.01674 96 3PZ 0.00772 -0.01716 0.00500 0.00143 0.02931 97 4XX 0.00040 -0.00111 0.00869 0.00081 -0.00240 98 4YY 0.00066 -0.00161 0.00031 0.00172 0.00373 99 4ZZ -0.00193 0.00383 -0.00968 -0.00408 -0.00456 100 4XY -0.00036 0.00095 0.00075 -0.00158 -0.00273 101 4XZ -0.00028 0.00057 -0.00042 -0.00098 -0.00335 102 4YZ -0.00043 0.00131 0.00133 -0.00070 -0.00275 103 13 H 1S -0.00765 0.01861 -0.02816 -0.01506 -0.01740 104 2S -0.01117 0.02682 -0.07207 -0.02253 -0.02835 105 14 H 1S 0.00146 -0.00210 0.03904 0.00246 -0.01316 106 2S 0.00149 -0.00232 0.03685 -0.00134 -0.01425 107 15 C 1S -0.00081 0.00203 0.00961 0.00215 -0.00592 108 2S 0.00108 -0.00181 -0.02494 -0.00412 0.01178 109 2PX -0.00283 0.00628 0.07962 0.01586 -0.04182 110 2PY -0.00030 0.00018 -0.00870 -0.00475 0.00047 111 2PZ 0.00256 -0.00486 -0.07393 -0.01329 0.03685 112 3S 0.00322 -0.01718 -0.02583 -0.00652 0.04043 113 3PX -0.00175 0.00019 0.07629 0.02019 -0.03053 114 3PY -0.00071 0.00701 -0.03392 -0.00773 0.00101 115 3PZ 0.00133 -0.00757 -0.04358 -0.00502 0.03448 116 4XX -0.00011 0.00030 -0.00113 -0.00025 0.00034 117 4YY -0.00013 0.00012 -0.00060 0.00051 0.00067 118 4ZZ -0.00033 0.00043 0.00323 0.00056 -0.00212 119 4XY 0.00019 -0.00064 -0.00062 -0.00022 0.00096 120 4XZ 0.00001 -0.00032 -0.00079 0.00004 0.00078 121 4YZ -0.00005 0.00062 -0.00010 0.00000 -0.00077 122 16 H 1S -0.00026 -0.00090 0.01477 0.00167 -0.00642 123 2S -0.00046 -0.00318 0.04092 0.01069 -0.01042 124 17 C 1S -0.00147 0.00122 0.00411 0.00076 -0.00342 125 2S 0.00106 -0.00455 -0.01445 -0.00062 0.01439 126 2PX -0.00434 0.01454 0.01847 0.00451 -0.02131 127 2PY -0.00049 0.00143 0.00664 0.00325 -0.00218 128 2PZ 0.00469 -0.01528 -0.00157 -0.00047 0.01565 129 3S 0.00628 0.00377 -0.02070 -0.00929 -0.00713 130 3PX -0.00386 0.01647 0.02051 0.00477 -0.03439 131 3PY -0.00121 0.01053 -0.00787 -0.00272 -0.01736 132 3PZ 0.00700 -0.00537 -0.00982 -0.00210 -0.00169 133 4XX -0.00017 0.00025 0.00359 0.00040 -0.00053 134 4YY -0.00029 -0.00008 -0.00185 0.00028 0.00138 135 4ZZ -0.00095 0.00042 0.00117 0.00018 -0.00156 136 4XY -0.00007 -0.00026 0.00515 0.00109 -0.00182 137 4XZ 0.00034 -0.00041 -0.00639 -0.00051 0.00303 138 4YZ -0.00007 0.00025 -0.00503 -0.00085 0.00227 139 18 H 1S -0.00109 0.00302 -0.02317 -0.00384 0.00499 140 2S -0.00149 0.00769 -0.03344 -0.00294 -0.00291 141 19 O 1S 0.00017 -0.00032 -0.00064 0.00007 0.00055 142 2S 0.00030 -0.00040 0.00314 0.00067 -0.00034 143 2PX 0.00062 0.00050 -0.02008 -0.00058 0.01189 144 2PY -0.00034 0.00148 0.00167 0.00222 0.00108 145 2PZ -0.00118 0.00070 0.02972 0.00332 -0.01574 146 3S -0.00277 0.00563 -0.00737 -0.00387 -0.00662 147 3PX 0.00096 -0.00147 -0.01783 -0.00060 0.01389 148 3PY 0.00088 -0.00020 0.00990 0.00307 -0.00115 149 3PZ -0.00123 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 0.00050 0.00319 158 2PX -0.00076 0.01201 0.02456 -0.00146 -0.00916 159 2PY 0.00049 -0.00001 -0.00756 -0.00366 0.00455 160 2PZ -0.00063 -0.01549 -0.01403 0.00533 -0.00171 161 3S -0.00251 -0.00868 -0.03775 0.00003 0.02601 162 3PX 0.00043 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 0.00184 0.00184 0.00043 174 2PY -0.00002 -0.00104 -0.01261 -0.00063 0.00513 175 2PZ 0.00044 0.00038 -0.00407 0.00065 -0.00103 176 3S 0.00163 -0.00175 -0.00664 -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 -0.00295 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 -0.00043 -0.00223 0.00288 0.00129 -0.00121 187 2S -0.00064 -0.00291 0.02268 0.00476 -0.01122 188 23 H 1S 0.00050 0.00107 -0.00437 -0.00073 0.00111 189 2S 0.00031 0.00288 0.01399 -0.00267 -0.00045 21 22 23 24 25 21 3S 0.23665 22 3PX -0.00652 0.14682 23 3PY 0.00804 0.02135 0.05806 24 3PZ 0.02201 -0.04331 -0.01311 0.05819 25 4XX -0.00857 -0.00095 -0.00047 0.00024 0.00073 26 4YY -0.00280 -0.00121 0.00303 0.00086 0.00012 27 4ZZ 0.00017 0.00369 -0.00273 -0.00118 0.00023 28 4XY -0.00508 0.00039 -0.00047 -0.00152 0.00013 29 4XZ 0.00603 -0.00244 -0.00263 0.00329 -0.00011 30 4YZ -0.00535 -0.00323 -0.00013 -0.00261 -0.00002 31 3 H 1S -0.06018 0.00164 -0.01990 0.00236 0.00081 32 2S -0.06560 -0.00208 -0.03592 0.00209 0.00147 33 4 H 1S 0.11163 0.03752 -0.03856 0.06086 -0.00203 34 2S 0.05136 0.03642 -0.02570 0.04161 0.00088 35 5 C 1S -0.00219 0.00079 0.00504 0.00764 -0.00014 36 2S -0.01800 0.00485 -0.01555 -0.00396 0.00036 37 2PX -0.00514 -0.02907 -0.01319 0.01654 0.00090 38 2PY 0.08499 0.00006 0.04883 0.00309 -0.00028 39 2PZ 0.04253 -0.00316 0.01169 -0.04323 -0.00089 40 3S -0.00699 0.00549 -0.01195 0.00647 0.00071 41 3PX -0.02001 -0.02961 -0.02142 0.02112 0.00118 42 3PY 0.02323 -0.00541 0.00733 0.00345 0.00002 43 3PZ 0.02046 0.01332 0.00761 -0.02031 -0.00014 44 4XX -0.00182 -0.00031 -0.00178 0.00101 0.00010 45 4YY 0.00642 0.00066 0.00506 -0.00003 -0.00018 46 4ZZ -0.00234 -0.00170 -0.00134 -0.00003 0.00002 47 4XY -0.00039 -0.00147 -0.00021 0.00093 0.00005 48 4XZ -0.00340 0.00530 -0.00078 -0.00191 0.00005 49 4YZ -0.00410 0.00031 -0.00249 0.00173 0.00019 50 6 H 1S 0.05322 0.00062 0.03275 0.00183 -0.00046 51 2S 0.05940 0.00551 0.04660 -0.00343 -0.00112 52 7 C 1S 0.00947 -0.00716 0.00664 0.00572 0.00197 53 2S 0.01598 0.00750 -0.01372 -0.03329 -0.00391 54 2PX 0.01394 0.12104 0.00595 -0.06023 -0.00460 55 2PY 0.09102 0.02349 0.00958 -0.05154 -0.00268 56 2PZ 0.06289 -0.07217 -0.08827 -0.01037 -0.00489 57 3S -0.02057 0.01948 -0.00712 -0.03123 -0.00338 58 3PX 0.00533 0.08766 0.01720 -0.03952 -0.00206 59 3PY 0.01666 0.01808 0.00192 -0.01564 -0.00127 60 3PZ 0.00408 -0.04372 -0.04173 0.00712 -0.00047 61 4XX -0.00163 0.00328 0.00219 0.00056 0.00031 62 4YY -0.00546 0.00019 0.00297 0.00071 -0.00004 63 4ZZ 0.00806 -0.00416 -0.00397 0.00238 -0.00013 64 4XY 0.00182 0.00308 -0.00027 -0.00168 -0.00014 65 4XZ 0.00125 0.00835 0.00080 -0.00240 -0.00008 66 4YZ 0.00542 -0.00080 -0.00011 -0.00183 -0.00041 67 8 H 1S -0.05395 -0.00252 0.00017 0.01405 -0.00033 68 2S -0.05132 -0.00957 0.00649 0.02119 0.00003 69 9 C 1S 0.01311 -0.00381 0.00348 -0.00236 -0.00035 70 2S -0.02268 0.00986 -0.00517 0.00298 0.00054 71 2PX -0.06532 0.02460 -0.01162 0.01822 0.00036 72 2PY 0.01719 0.01251 -0.00780 -0.01600 0.00008 73 2PZ -0.04680 0.01384 -0.02513 0.00411 0.00076 74 3S -0.06190 0.01100 -0.02380 0.01166 0.00171 75 3PX -0.03594 0.00870 -0.01073 0.01062 0.00035 76 3PY 0.01390 0.01969 0.00107 -0.01567 -0.00006 77 3PZ -0.02410 0.00260 -0.01505 0.00318 0.00046 78 4XX -0.00046 -0.00163 -0.00205 0.00065 0.00006 79 4YY 0.00085 0.00143 0.00180 0.00018 0.00000 80 4ZZ 0.00166 0.00045 0.00058 -0.00151 -0.00007 81 4XY -0.00174 0.00133 -0.00012 0.00093 -0.00001 82 4XZ -0.00292 0.00088 -0.00124 0.00014 0.00001 83 4YZ 0.00025 -0.00013 -0.00139 -0.00026 -0.00005 84 10 H 1S 0.02356 -0.01370 -0.00497 -0.00836 0.00027 85 2S 0.02297 -0.02958 -0.00938 0.00074 0.00023 86 11 H 1S 0.01612 0.00418 0.01296 -0.00566 -0.00017 87 2S 0.02477 -0.00015 0.01709 -0.00731 -0.00039 88 12 C 1S 0.00444 -0.00641 -0.00522 -0.00358 -0.00080 89 2S -0.01030 0.01376 0.00969 0.00673 0.00130 90 2PX 0.01306 -0.02221 0.01513 -0.00045 0.00055 91 2PY -0.01032 -0.00645 0.00585 0.00697 -0.00089 92 2PZ -0.02961 0.01983 0.03845 0.01134 0.00258 93 3S 0.01325 0.04952 0.02283 -0.00729 0.00150 94 3PX 0.00855 -0.01467 0.00354 0.00516 0.00067 95 3PY 0.00847 -0.01147 0.00722 0.00016 -0.00085 96 3PZ -0.00547 0.00461 0.01771 0.00544 0.00143 97 4XX -0.00076 0.00586 0.00178 -0.00163 -0.00001 98 4YY -0.00258 -0.00026 0.00013 0.00133 0.00005 99 4ZZ 0.00336 -0.00567 -0.00314 -0.00042 -0.00011 100 4XY -0.00144 0.00151 -0.00105 0.00007 -0.00001 101 4XZ 0.00060 0.00016 0.00100 -0.00128 -0.00005 102 4YZ 0.00064 0.00078 -0.00167 -0.00106 -0.00009 103 13 H 1S 0.02091 -0.01982 -0.02578 -0.00544 -0.00086 104 2S 0.02507 -0.04661 -0.03336 -0.00233 -0.00103 105 14 H 1S -0.01502 0.03447 0.00226 -0.00080 0.00050 106 2S -0.01376 0.02832 0.00081 -0.00004 0.00001 107 15 C 1S 0.00054 0.00684 0.00000 -0.00510 -0.00013 108 2S 0.00014 -0.01758 -0.00211 0.00932 0.00020 109 2PX 0.01601 0.06941 0.02337 -0.04610 -0.00029 110 2PY 0.01387 -0.01267 -0.00347 0.00077 -0.00023 111 2PZ -0.01088 -0.06700 -0.02406 0.03745 0.00057 112 3S -0.01584 -0.02583 -0.00756 0.02020 0.00058 113 3PX 0.01135 0.06200 0.02274 -0.03712 -0.00019 114 3PY 0.00543 -0.02752 -0.00859 0.01206 0.00002 115 3PZ -0.00497 -0.04225 -0.01209 0.02569 0.00055 116 4XX -0.00046 -0.00154 -0.00065 0.00092 0.00000 117 4YY 0.00001 -0.00039 0.00041 0.00063 0.00001 118 4ZZ 0.00080 0.00298 0.00042 -0.00198 -0.00004 119 4XY 0.00111 -0.00146 0.00024 0.00013 -0.00005 120 4XZ 0.00195 -0.00054 0.00065 -0.00062 -0.00002 121 4YZ -0.00064 0.00051 -0.00063 -0.00050 0.00004 122 16 H 1S 0.00977 0.01278 0.00787 -0.00834 -0.00030 123 2S 0.01500 0.03174 0.01639 -0.01833 -0.00041 124 17 C 1S 0.00181 0.00602 0.00355 -0.00327 -0.00073 125 2S -0.00138 -0.01485 -0.00374 0.01038 0.00068 126 2PX -0.02214 0.02983 -0.00268 -0.00667 0.00075 127 2PY -0.01124 0.01358 0.00680 -0.00130 -0.00005 128 2PZ 0.00468 -0.01379 0.00870 0.01236 -0.00027 129 3S 0.00522 -0.02069 -0.00412 0.01026 0.00014 130 3PX -0.01597 0.02879 -0.00352 -0.01177 -0.00002 131 3PY 0.00057 0.00180 -0.00221 -0.00331 -0.00001 132 3PZ 0.00404 -0.01374 0.00167 0.00582 -0.00049 133 4XX -0.00201 0.00155 0.00031 0.00088 -0.00008 134 4YY -0.00025 -0.00116 -0.00011 0.00057 0.00000 135 4ZZ 0.00264 0.00164 0.00033 -0.00229 0.00003 136 4XY 0.00148 0.00406 0.00142 -0.00286 -0.00001 137 4XZ 0.00013 -0.00435 -0.00108 0.00204 0.00014 138 4YZ 0.00005 -0.00457 -0.00177 0.00225 0.00004 139 18 H 1S 0.00797 -0.01782 -0.01074 0.00167 0.00048 140 2S 0.00757 -0.02039 -0.01380 0.00013 0.00043 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 -0.00852 -0.02170 -0.00217 0.01803 -0.00010 144 2PY -0.00834 0.00127 0.00103 0.00503 0.00007 145 2PZ -0.01135 0.03543 -0.00042 -0.01215 -0.00015 146 3S 0.00587 -0.00152 -0.00014 -0.00464 -0.00071 147 3PX -0.00558 -0.02051 -0.00226 0.01529 0.00000 148 3PY -0.00721 0.00686 0.00143 0.00110 0.00011 149 3PZ -0.00620 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 -0.00001 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 0.00018 -0.00003 0.00001 156 20 O 1S 0.00144 0.00170 -0.00117 -0.00120 0.00003 157 2S -0.00729 -0.00501 0.00105 0.00430 0.00029 158 2PX -0.02296 0.00607 -0.00431 0.01173 -0.00189 159 2PY 0.00489 -0.01113 -0.00434 0.00846 0.00082 160 2PZ 0.05107 0.00746 0.01535 -0.03940 0.00110 161 3S -0.00297 -0.01931 0.00177 0.00850 0.00056 162 3PX -0.01867 -0.00007 -0.00418 0.01153 -0.00131 163 3PY 0.00433 -0.01577 -0.00375 0.00898 0.00067 164 3PZ 0.03328 0.00944 0.01008 -0.02902 0.00087 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 -0.00183 -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 -0.00187 0.00524 0.00230 -0.00313 -0.00001 174 2PY -0.00091 -0.00692 -0.00236 0.00256 0.00017 175 2PZ -0.00742 -0.00286 0.00161 0.00213 0.00037 176 3S 0.00125 -0.00937 -0.00196 0.00541 0.00004 177 3PX -0.00035 -0.01783 -0.00139 0.00728 -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 -0.00005 -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 0.00699 0.00701 0.00194 -0.00765 0.00009 187 2S 0.01047 0.02741 0.00600 -0.02105 0.00027 188 23 H 1S -0.00792 -0.00602 -0.00032 0.00599 0.00017 189 2S -0.01360 0.00451 -0.00105 0.00647 0.00001 26 27 28 29 30 26 4YY 0.00115 27 4ZZ -0.00055 0.00110 28 4XY 0.00010 -0.00021 0.00077 29 4XZ -0.00028 0.00017 -0.00002 0.00070 30 4YZ 0.00006 -0.00015 0.00032 -0.00039 0.00134 31 3 H 1S 0.00186 0.00087 0.00413 -0.00003 0.00776 32 2S -0.00152 0.00200 0.00450 0.00047 0.00806 33 4 H 1S -0.00398 0.00567 -0.00596 0.00814 -0.01198 34 2S -0.00348 0.00600 -0.00552 0.00607 -0.01152 35 5 C 1S -0.00101 -0.00001 0.00018 -0.00027 0.00211 36 2S 0.00208 -0.00008 -0.00030 0.00062 -0.00444 37 2PX 0.00238 -0.00204 0.00905 0.00203 -0.00466 38 2PY -0.00429 0.00059 -0.00090 -0.00086 0.00633 39 2PZ 0.00262 0.00258 -0.00719 0.00004 -0.00605 40 3S 0.00177 0.00061 -0.00034 0.00094 -0.00699 41 3PX 0.00133 -0.00192 0.00702 0.00233 -0.00236 42 3PY -0.00120 -0.00061 -0.00063 -0.00008 0.00322 43 3PZ -0.00025 0.00243 -0.00475 0.00025 -0.00245 44 4XX -0.00014 0.00001 0.00025 0.00002 0.00016 45 4YY -0.00003 -0.00025 0.00002 -0.00012 0.00015 46 4ZZ 0.00017 0.00009 -0.00023 -0.00001 0.00012 47 4XY -0.00007 -0.00001 -0.00017 0.00005 0.00015 48 4XZ 0.00008 -0.00001 0.00047 0.00007 -0.00009 49 4YZ -0.00038 0.00028 0.00009 0.00005 0.00029 50 6 H 1S -0.00128 -0.00063 -0.00001 -0.00045 0.00187 51 2S -0.00111 -0.00081 -0.00060 -0.00118 0.00241 52 7 C 1S 0.00121 -0.00362 -0.00128 -0.00125 -0.00482 53 2S -0.00333 0.00683 0.00250 0.00243 0.00896 54 2PX -0.00045 0.00425 -0.00552 -0.00985 0.00406 55 2PY -0.01327 0.00905 -0.00056 0.00317 -0.00231 56 2PZ -0.00353 -0.00330 0.00434 0.00244 0.00890 57 3S -0.00245 0.00651 0.00289 -0.00010 0.01073 58 3PX -0.00142 0.00442 -0.00489 -0.00561 0.00132 59 3PY -0.00390 0.00289 0.00013 -0.00002 -0.00060 60 3PZ -0.00120 -0.00262 0.00337 0.00237 0.00332 61 4XX -0.00012 0.00007 -0.00022 -0.00014 -0.00052 62 4YY 0.00096 -0.00069 0.00013 -0.00045 0.00038 63 4ZZ -0.00047 0.00016 -0.00017 0.00046 -0.00038 64 4XY -0.00005 0.00002 0.00001 -0.00021 -0.00005 65 4XZ -0.00026 0.00040 0.00009 0.00017 -0.00030 66 4YZ 0.00008 -0.00031 0.00014 -0.00007 0.00039 67 8 H 1S 0.00812 -0.00390 0.00110 -0.00251 0.00540 68 2S 0.00887 -0.00647 0.00127 -0.00294 0.00316 69 9 C 1S -0.00016 0.00006 -0.00019 -0.00011 -0.00014 70 2S 0.00029 -0.00012 0.00042 0.00015 0.00067 71 2PX -0.00029 0.00036 -0.00099 -0.00019 0.00117 72 2PY -0.00184 0.00130 0.00100 0.00036 0.00007 73 2PZ -0.00088 0.00025 0.00074 0.00048 0.00095 74 3S 0.00200 -0.00190 0.00316 0.00127 0.00103 75 3PX -0.00052 0.00053 -0.00054 -0.00016 0.00135 76 3PY -0.00223 0.00173 0.00070 0.00043 0.00022 77 3PZ -0.00037 -0.00022 0.00025 0.00037 0.00098 78 4XX 0.00001 -0.00005 0.00043 0.00007 -0.00011 79 4YY -0.00009 0.00003 -0.00006 -0.00001 0.00010 80 4ZZ 0.00003 0.00008 -0.00040 -0.00004 -0.00011 81 4XY 0.00007 -0.00016 -0.00004 -0.00014 0.00020 82 4XZ 0.00004 -0.00002 0.00000 0.00002 -0.00009 83 4YZ 0.00002 -0.00011 -0.00006 -0.00013 0.00019 84 10 H 1S -0.00023 0.00005 0.00205 0.00071 -0.00073 85 2S -0.00044 0.00039 0.00214 0.00074 -0.00096 86 11 H 1S 0.00009 0.00061 -0.00118 -0.00007 -0.00062 87 2S -0.00011 0.00099 -0.00307 -0.00015 -0.00105 88 12 C 1S 0.00084 -0.00123 -0.00009 -0.00097 0.00088 89 2S -0.00166 0.00202 0.00010 0.00212 -0.00188 90 2PX -0.00297 0.00498 0.00083 0.00441 -0.00294 91 2PY 0.00122 -0.00142 -0.00141 -0.00173 0.00218 92 2PZ -0.00318 0.00489 0.00065 0.00494 -0.00270 93 3S -0.00463 0.00425 -0.00151 0.00276 -0.00347 94 3PX -0.00172 0.00267 -0.00010 0.00257 -0.00249 95 3PY -0.00016 -0.00012 -0.00119 -0.00113 0.00223 96 3PZ -0.00177 0.00200 -0.00006 0.00265 -0.00177 97 4XX -0.00013 0.00034 -0.00024 -0.00028 -0.00002 98 4YY 0.00035 -0.00027 0.00006 -0.00006 0.00004 99 4ZZ -0.00012 -0.00016 0.00026 0.00023 0.00020 100 4XY -0.00008 -0.00007 -0.00006 -0.00010 0.00004 101 4XZ -0.00025 0.00033 0.00008 0.00020 0.00006 102 4YZ -0.00006 -0.00005 -0.00005 -0.00018 0.00002 103 13 H 1S 0.00025 -0.00164 0.00076 -0.00061 0.00052 104 2S 0.00042 -0.00286 0.00152 -0.00015 0.00176 105 14 H 1S 0.00001 -0.00025 -0.00095 -0.00152 0.00018 106 2S 0.00008 0.00050 -0.00208 -0.00261 0.00057 107 15 C 1S -0.00010 0.00005 0.00000 0.00007 0.00005 108 2S 0.00011 -0.00016 -0.00028 -0.00010 0.00032 109 2PX 0.00035 -0.00074 0.00042 0.00113 0.00001 110 2PY -0.00051 0.00118 -0.00071 -0.00026 0.00007 111 2PZ -0.00016 0.00058 0.00046 -0.00087 -0.00003 112 3S 0.00130 -0.00033 -0.00078 -0.00070 -0.00103 113 3PX 0.00030 -0.00037 0.00031 0.00039 -0.00091 114 3PY -0.00056 0.00039 0.00069 0.00028 0.00071 115 3PZ 0.00012 0.00040 -0.00021 -0.00058 -0.00087 116 4XX 0.00004 0.00008 0.00016 0.00003 -0.00005 117 4YY 0.00000 0.00000 -0.00008 -0.00003 0.00004 118 4ZZ -0.00003 -0.00006 0.00002 0.00005 -0.00001 119 4XY -0.00008 0.00023 -0.00031 -0.00019 0.00002 120 4XZ -0.00006 0.00007 -0.00031 -0.00005 0.00011 121 4YZ 0.00008 -0.00020 0.00030 0.00021 -0.00004 122 16 H 1S -0.00033 0.00053 -0.00141 -0.00031 0.00024 123 2S -0.00052 0.00087 -0.00232 -0.00077 -0.00015 124 17 C 1S -0.00019 -0.00079 0.00064 0.00042 -0.00008 125 2S -0.00014 0.00054 -0.00110 -0.00088 0.00014 126 2PX 0.00203 -0.00379 0.00483 0.00371 -0.00084 127 2PY 0.00055 -0.00138 0.00092 0.00057 -0.00005 128 2PZ -0.00171 0.00331 -0.00453 -0.00410 0.00075 129 3S -0.00167 0.00223 -0.00139 -0.00138 0.00157 130 3PX 0.00135 -0.00275 0.00429 0.00247 0.00007 131 3PY -0.00028 -0.00112 0.00220 0.00125 0.00037 132 3PZ -0.00116 0.00202 -0.00254 -0.00261 0.00142 133 4XX 0.00002 0.00034 -0.00016 -0.00009 -0.00004 134 4YY 0.00008 -0.00010 0.00001 0.00003 0.00002 135 4ZZ -0.00005 -0.00020 0.00016 0.00007 -0.00003 136 4XY 0.00003 -0.00001 -0.00002 -0.00001 0.00002 137 4XZ 0.00004 -0.00024 0.00009 0.00012 0.00001 138 4YZ 0.00001 0.00005 0.00005 0.00003 -0.00003 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 0.00005 -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 -0.00057 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 -0.00019 -0.00018 0.00005 157 2S -0.00039 -0.00127 0.00052 0.00032 0.00006 158 2PX 0.00082 0.00346 -0.00192 -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 -0.00028 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 0.00013 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 -0.00041 -0.00097 0.00025 0.00031 0.00007 187 2S -0.00060 -0.00197 0.00113 0.00088 -0.00011 188 23 H 1S 0.00029 0.00050 -0.00017 -0.00018 -0.00001 189 2S 0.00042 0.00117 0.00023 -0.00015 -0.00039 31 32 33 34 35 31 3 H 1S 0.21724 32 2S 0.17508 0.16429 33 4 H 1S -0.02200 -0.02493 0.21724 34 2S -0.02493 -0.03128 0.17508 0.16429 35 5 C 1S 0.01303 0.01856 -0.00745 -0.01207 2.05493 36 2S -0.02811 -0.03297 0.01733 0.02472 -0.06108 37 2PX -0.00994 -0.02492 -0.00072 -0.00394 -0.00137 38 2PY 0.00382 -0.00035 -0.01537 -0.03067 -0.00186 39 2PZ -0.04386 -0.09600 0.03355 0.06994 -0.00409 40 3S -0.05137 -0.05570 0.03977 0.04601 -0.19677 41 3PX 0.00536 0.00626 -0.00069 -0.00680 -0.00512 42 3PY 0.00707 0.00968 -0.00620 -0.01436 0.00719 43 3PZ -0.01816 -0.03605 0.02891 0.04555 0.00797 44 4XX 0.00274 0.00426 -0.00008 -0.00094 -0.01165 45 4YY -0.00556 -0.00527 -0.00253 -0.00367 -0.01845 46 4ZZ 0.00659 0.00408 0.00052 0.00154 -0.01376 47 4XY 0.00010 0.00095 0.00010 0.00001 -0.00144 48 4XZ 0.00402 0.00382 -0.00007 -0.00002 -0.00268 49 4YZ 0.00406 0.00629 0.00104 0.00036 0.00106 50 6 H 1S -0.02322 -0.02696 -0.00954 -0.01804 -0.05975 51 2S -0.02780 -0.03281 -0.02017 -0.02680 -0.01318 52 7 C 1S -0.00745 -0.01207 0.01303 0.01856 -0.00459 53 2S 0.01733 0.02472 -0.02811 -0.03297 0.00658 54 2PX -0.00073 -0.00396 -0.00993 -0.02491 0.00371 55 2PY 0.01536 0.03064 -0.00381 0.00038 0.01012 56 2PZ 0.03355 0.06995 -0.04387 -0.09600 -0.00313 57 3S 0.03975 0.04599 -0.05137 -0.05570 0.02760 58 3PX -0.00069 -0.00681 0.00537 0.00627 0.00343 59 3PY 0.00618 0.01434 -0.00706 -0.00967 0.01020 60 3PZ 0.02892 0.04556 -0.01816 -0.03605 -0.00252 61 4XX -0.00008 -0.00094 0.00274 0.00426 -0.00044 62 4YY -0.00252 -0.00366 -0.00556 -0.00527 -0.00079 63 4ZZ 0.00052 0.00154 0.00658 0.00407 -0.00044 64 4XY -0.00010 -0.00001 -0.00010 -0.00095 -0.00018 65 4XZ -0.00007 -0.00003 0.00402 0.00382 0.00002 66 4YZ -0.00104 -0.00036 -0.00406 -0.00629 0.00037 67 8 H 1S -0.00954 -0.01804 -0.02322 -0.02695 -0.00248 68 2S -0.02017 -0.02680 -0.02781 -0.03281 -0.00361 69 9 C 1S -0.00724 -0.00969 -0.00076 -0.00031 0.01244 70 2S 0.01592 0.02215 0.00122 0.00002 -0.02396 71 2PX 0.02367 0.04598 0.00236 -0.00181 -0.04791 72 2PY 0.01141 0.01667 -0.00106 -0.00123 -0.02374 73 2PZ 0.02600 0.05316 0.00145 -0.00429 -0.04591 74 3S 0.04111 0.05160 0.00393 0.00086 0.00574 75 3PX 0.02444 0.03547 0.00100 -0.00222 -0.00941 76 3PY 0.01410 0.01672 -0.00013 0.00083 -0.00508 77 3PZ 0.01727 0.03122 -0.00073 -0.00434 -0.00844 78 4XX 0.00073 0.00122 -0.00012 -0.00076 -0.00124 79 4YY 0.00006 -0.00009 -0.00007 -0.00031 0.00066 80 4ZZ -0.00217 -0.00316 0.00081 0.00187 -0.00153 81 4XY 0.00056 0.00134 -0.00086 -0.00188 -0.00307 82 4XZ -0.00043 0.00063 0.00019 0.00024 -0.00456 83 4YZ 0.00069 0.00166 -0.00072 -0.00174 -0.00296 84 10 H 1S 0.00019 -0.00467 -0.00040 0.00018 0.00784 85 2S 0.00013 -0.00454 0.00028 -0.00061 0.01198 86 11 H 1S -0.00920 -0.02129 0.00337 0.00973 0.00836 87 2S -0.02202 -0.03594 0.00687 0.01666 0.01324 88 12 C 1S -0.00076 -0.00031 -0.00724 -0.00969 -0.00188 89 2S 0.00121 0.00001 0.01592 0.02215 0.00482 90 2PX 0.00236 -0.00181 0.02366 0.04596 0.00233 91 2PY 0.00106 0.00122 -0.01142 -0.01668 0.01008 92 2PZ 0.00145 -0.00429 0.02600 0.05317 0.00332 93 3S 0.00394 0.00086 0.04113 0.05161 -0.00250 94 3PX 0.00101 -0.00221 0.02444 0.03546 -0.00056 95 3PY 0.00013 -0.00083 -0.01411 -0.01672 0.00694 96 3PZ -0.00071 -0.00433 0.01728 0.03123 -0.00007 97 4XX -0.00012 -0.00076 0.00073 0.00122 0.00016 98 4YY -0.00007 -0.00031 0.00006 -0.00009 -0.00049 99 4ZZ 0.00081 0.00188 -0.00217 -0.00316 -0.00026 100 4XY 0.00086 0.00189 -0.00056 -0.00134 -0.00116 101 4XZ 0.00019 0.00024 -0.00042 0.00063 0.00026 102 4YZ 0.00072 0.00174 -0.00069 -0.00166 -0.00106 103 13 H 1S 0.00337 0.00973 -0.00920 -0.02129 -0.00412 104 2S 0.00687 0.01666 -0.02202 -0.03595 -0.00540 105 14 H 1S -0.00040 0.00019 0.00019 -0.00468 -0.00199 106 2S 0.00029 -0.00059 0.00012 -0.00456 -0.00265 107 15 C 1S -0.00020 -0.00032 0.00002 -0.00006 -0.00178 108 2S 0.00178 0.00115 -0.00081 -0.00124 0.00088 109 2PX -0.00449 -0.01195 -0.00140 0.00782 0.00337 110 2PY 0.00132 0.00115 0.00105 0.00046 0.00035 111 2PZ 0.00415 0.00746 -0.00024 -0.00694 -0.00708 112 3S -0.00487 -0.00908 0.00819 0.01021 0.01627 113 3PX -0.01027 -0.01681 0.00087 0.00998 -0.00364 114 3PY 0.00725 0.01081 -0.00425 -0.00992 -0.00003 115 3PZ -0.00468 -0.00448 0.00481 0.00221 0.00155 116 4XX 0.00094 0.00039 0.00001 -0.00018 -0.00145 117 4YY -0.00008 -0.00004 0.00001 -0.00014 -0.00025 118 4ZZ -0.00042 0.00006 -0.00010 0.00003 -0.00002 119 4XY -0.00001 -0.00063 0.00040 0.00092 0.00060 120 4XZ -0.00034 -0.00061 0.00019 0.00060 0.00108 121 4YZ -0.00014 0.00044 -0.00037 -0.00057 -0.00072 122 16 H 1S -0.00203 -0.00329 0.00125 0.00342 0.00589 123 2S -0.00887 -0.01223 0.00406 0.00957 0.00655 124 17 C 1S 0.00002 -0.00007 -0.00021 -0.00032 -0.00087 125 2S -0.00081 -0.00123 0.00178 0.00115 0.00284 126 2PX -0.00140 0.00782 -0.00448 -0.01194 -0.00614 127 2PY -0.00105 -0.00046 -0.00132 -0.00115 0.00131 128 2PZ -0.00024 -0.00694 0.00415 0.00745 0.00598 129 3S 0.00819 0.01022 -0.00487 -0.00908 -0.00273 130 3PX 0.00087 0.00998 -0.01026 -0.01681 -0.00469 131 3PY 0.00425 0.00992 -0.00725 -0.01081 -0.00257 132 3PZ 0.00481 0.00221 -0.00468 -0.00449 0.00230 133 4XX 0.00001 -0.00018 0.00094 0.00039 -0.00010 134 4YY 0.00001 -0.00014 -0.00008 -0.00004 0.00014 135 4ZZ -0.00010 0.00003 -0.00042 0.00006 -0.00016 136 4XY -0.00040 -0.00092 0.00001 0.00063 0.00029 137 4XZ 0.00019 0.00060 -0.00034 -0.00061 -0.00012 138 4YZ 0.00037 0.00057 0.00014 -0.00044 -0.00043 139 18 H 1S 0.00126 0.00342 -0.00203 -0.00328 -0.00232 140 2S 0.00406 0.00957 -0.00887 -0.01223 -0.00405 141 19 O 1S 0.00130 -0.00056 -0.00024 -0.00051 -0.00086 142 2S -0.00406 -0.00094 0.00104 0.00232 0.00268 143 2PX 0.00787 -0.00138 0.00036 -0.00181 -0.00889 144 2PY -0.00129 0.00569 0.00029 -0.00248 0.00038 145 2PZ -0.01335 0.00826 -0.00077 -0.00436 0.00866 146 3S 0.00048 0.00858 -0.00178 -0.00258 0.00061 147 3PX 0.00364 -0.00377 0.00173 0.00070 -0.00485 148 3PY -0.00134 0.00261 0.00055 -0.00096 -0.00011 149 3PZ -0.01084 0.00332 -0.00012 -0.00156 0.00749 150 4XX -0.00012 0.00019 0.00000 -0.00020 -0.00003 151 4YY -0.00052 -0.00103 0.00012 0.00029 0.00025 152 4ZZ 0.00005 -0.00066 0.00016 0.00056 0.00030 153 4XY -0.00015 0.00023 -0.00010 -0.00003 0.00038 154 4XZ -0.00039 -0.00027 0.00005 0.00015 0.00027 155 4YZ 0.00060 -0.00033 -0.00007 0.00010 -0.00036 156 20 O 1S -0.00024 -0.00051 0.00130 -0.00057 0.00002 157 2S 0.00104 0.00232 -0.00406 -0.00093 -0.00038 158 2PX 0.00036 -0.00180 0.00787 -0.00138 0.00122 159 2PY -0.00029 0.00247 0.00130 -0.00570 -0.00050 160 2PZ -0.00078 -0.00436 -0.01335 0.00827 -0.00102 161 3S -0.00178 -0.00258 0.00047 0.00859 0.00101 162 3PX 0.00173 0.00070 0.00364 -0.00378 0.00035 163 3PY -0.00055 0.00096 0.00134 -0.00262 -0.00002 164 3PZ -0.00012 -0.00156 -0.01084 0.00333 -0.00184 165 4XX 0.00000 -0.00020 -0.00012 0.00019 0.00036 166 4YY 0.00012 0.00029 -0.00052 -0.00103 -0.00018 167 4ZZ 0.00016 0.00056 0.00005 -0.00066 -0.00033 168 4XY 0.00010 0.00003 0.00015 -0.00023 -0.00006 169 4XZ 0.00005 0.00015 -0.00039 -0.00027 -0.00003 170 4YZ 0.00007 -0.00010 -0.00060 0.00033 -0.00003 171 21 C 1S -0.00011 0.00008 -0.00011 0.00008 0.00027 172 2S -0.00047 -0.00106 -0.00046 -0.00106 -0.00037 173 2PX -0.00046 0.00132 -0.00046 0.00132 0.00136 174 2PY 0.00124 0.00019 -0.00125 -0.00019 -0.00231 175 2PZ -0.00164 0.00140 -0.00164 0.00139 -0.00019 176 3S 0.00059 -0.00065 0.00059 -0.00064 -0.00011 177 3PX -0.00268 -0.00264 -0.00267 -0.00264 0.00091 178 3PY 0.00270 0.00379 -0.00270 -0.00379 -0.00177 179 3PZ -0.00340 -0.00048 -0.00340 -0.00048 0.00032 180 4XX -0.00036 -0.00001 -0.00036 -0.00001 0.00038 181 4YY 0.00005 -0.00008 0.00005 -0.00008 -0.00008 182 4ZZ 0.00009 -0.00007 0.00009 -0.00007 -0.00012 183 4XY 0.00016 0.00016 -0.00016 -0.00016 -0.00018 184 4XZ 0.00029 -0.00016 0.00029 -0.00016 -0.00032 185 4YZ -0.00048 0.00036 0.00048 -0.00036 0.00046 186 22 H 1S -0.00125 0.00030 -0.00125 0.00030 0.00153 187 2S -0.00258 0.00181 -0.00258 0.00182 0.00193 188 23 H 1S 0.00013 0.00040 0.00014 0.00040 -0.00090 189 2S 0.00523 0.00337 0.00523 0.00336 -0.00194 36 37 38 39 40 36 2S 0.32600 37 2PX -0.00135 0.34896 38 2PY -0.00372 0.01259 0.41140 39 2PZ 0.00570 0.03323 -0.01966 0.39184 40 3S 0.28869 0.04143 0.00160 0.00461 0.29354 41 3PX 0.00814 0.20155 -0.02642 -0.03982 0.03134 42 3PY 0.00824 -0.02145 0.13271 -0.01204 -0.00442 43 3PZ -0.01693 -0.04363 0.00316 0.16556 -0.02128 44 4XX -0.01268 0.00007 -0.00550 -0.00826 -0.01007 45 4YY 0.00165 0.00442 0.02175 -0.00237 0.00408 46 4ZZ -0.00746 -0.00382 -0.00996 0.00779 -0.00795 47 4XY 0.00305 -0.00713 0.00233 -0.00297 0.00191 48 4XZ 0.00572 0.00067 -0.00585 -0.00628 0.00466 49 4YZ -0.00231 -0.00357 0.00096 -0.01163 -0.00247 50 6 H 1S 0.11313 0.03569 0.26354 -0.01518 0.11157 51 2S 0.02654 0.02585 0.24291 0.00125 0.03261 52 7 C 1S 0.00658 0.00371 -0.01012 -0.00314 0.02760 53 2S -0.01954 -0.00845 0.02795 0.01042 -0.02935 54 2PX -0.00845 -0.10394 0.02503 0.03149 -0.01386 55 2PY -0.02795 -0.02503 0.03608 0.01684 -0.03315 56 2PZ 0.01041 0.03145 -0.01681 -0.05691 -0.02658 57 3S -0.02935 -0.01391 0.03317 -0.02654 -0.04354 58 3PX -0.00831 -0.09451 0.02860 0.04065 -0.01185 59 3PY -0.00626 -0.00786 -0.01048 -0.02200 -0.00696 60 3PZ 0.00977 0.02865 -0.01663 -0.04663 -0.00804 61 4XX -0.00028 -0.00117 0.00089 0.00130 0.00016 62 4YY 0.00055 0.00141 -0.00117 -0.00177 0.00059 63 4ZZ -0.00001 0.00073 0.00036 0.00002 0.00039 64 4XY 0.00039 0.00017 -0.00082 -0.00109 0.00050 65 4XZ 0.00047 -0.00135 -0.00009 0.00096 0.00045 66 4YZ -0.00055 -0.00099 0.00066 -0.00217 -0.00199 67 8 H 1S 0.00754 0.00732 -0.00905 -0.00837 0.00684 68 2S 0.01354 0.02064 -0.02462 -0.02720 0.01579 69 9 C 1S -0.02357 0.03608 0.02996 0.04415 0.00108 70 2S 0.03949 -0.07422 -0.05499 -0.09015 0.01380 71 2PX 0.10351 -0.10588 -0.09323 -0.15611 0.06882 72 2PY 0.04946 -0.08843 -0.03183 -0.07087 0.03173 73 2PZ 0.09404 -0.13907 -0.08286 -0.13089 0.09339 74 3S 0.02216 -0.05720 -0.11776 -0.11981 -0.00961 75 3PX 0.03227 -0.05673 -0.04712 -0.07741 0.01393 76 3PY 0.00883 -0.04981 0.00333 -0.03348 0.00117 77 3PZ 0.03020 -0.07259 -0.04273 -0.05935 0.02437 78 4XX 0.00156 0.00790 -0.00282 -0.00508 0.00363 79 4YY -0.00218 0.00160 0.00988 0.00164 -0.00155 80 4ZZ 0.00225 -0.00636 -0.00273 0.00848 -0.00028 81 4XY 0.00570 -0.00321 0.00244 -0.00650 0.00384 82 4XZ 0.00898 -0.00380 -0.00623 -0.00419 0.00794 83 4YZ 0.00534 -0.00633 0.00254 -0.00393 0.00518 84 10 H 1S -0.02317 0.02371 0.00466 0.01465 -0.01004 85 2S -0.02844 0.06287 0.00793 0.01755 -0.00441 86 11 H 1S -0.01923 0.00782 0.00215 0.03479 -0.03973 87 2S -0.02578 -0.00583 0.01062 0.08285 -0.04433 88 12 C 1S 0.00452 -0.00258 -0.00947 -0.00507 0.00063 89 2S -0.00915 0.01152 0.01815 0.01180 -0.00690 90 2PX -0.01074 0.01517 0.00542 0.01074 0.01492 91 2PY -0.02605 0.02638 0.03533 0.01528 -0.02630 92 2PZ -0.00980 0.00896 0.00624 0.01170 -0.01127 93 3S -0.01275 -0.02496 0.07999 0.03945 -0.00944 94 3PX -0.00525 0.01176 0.00076 0.01383 0.01043 95 3PY -0.02183 0.01115 0.05357 0.01823 -0.01953 96 3PZ -0.00678 0.00010 0.00807 0.01469 -0.00763 97 4XX -0.00041 -0.00365 0.00128 0.00196 -0.00068 98 4YY 0.00081 0.00065 -0.00189 -0.00247 0.00048 99 4ZZ 0.00065 0.00200 -0.00081 -0.00116 0.00034 100 4XY 0.00266 -0.00330 -0.00360 -0.00442 0.00074 101 4XZ -0.00086 0.00015 0.00083 0.00124 -0.00067 102 4YZ 0.00214 -0.00485 -0.00279 -0.00362 0.00238 103 13 H 1S 0.01081 -0.00464 -0.01089 -0.01586 0.01432 104 2S 0.01199 -0.00028 -0.02097 -0.02861 0.01285 105 14 H 1S 0.00840 -0.02438 -0.00438 -0.00382 -0.00712 106 2S 0.00791 -0.03233 -0.01231 -0.00478 -0.00381 107 15 C 1S 0.00202 -0.01015 0.00432 0.00361 0.00644 108 2S -0.01175 0.01512 -0.00318 -0.00713 -0.00116 109 2PX -0.00217 -0.09617 0.03273 0.05346 0.00327 110 2PY -0.00341 0.02838 -0.01780 -0.01152 -0.00310 111 2PZ 0.00896 0.08499 -0.02217 -0.05582 0.03656 112 3S -0.00058 0.03824 -0.03809 0.00094 0.01385 113 3PX 0.00783 -0.05824 0.02307 0.04997 0.00397 114 3PY -0.00570 0.03774 0.00624 -0.02708 -0.00071 115 3PZ 0.00702 0.05985 -0.01613 -0.01995 0.01977 116 4XX 0.00260 0.00449 -0.00217 -0.00488 0.00638 117 4YY -0.00060 -0.00146 0.00225 0.00099 -0.00161 118 4ZZ -0.00077 -0.00198 0.00006 0.00252 -0.00389 119 4XY -0.00158 -0.00189 -0.00082 0.00154 0.00039 120 4XZ -0.00262 -0.00601 0.00200 0.00295 -0.00235 121 4YZ 0.00176 0.00141 0.00062 -0.00120 0.00168 122 16 H 1S -0.01361 -0.02037 0.00124 0.02040 -0.02748 123 2S -0.01225 -0.04791 0.01064 0.04127 -0.03275 124 17 C 1S 0.00340 0.00345 -0.00462 -0.00223 -0.00191 125 2S -0.00361 -0.00871 0.00684 0.00600 -0.00263 126 2PX 0.01795 0.00239 -0.00664 -0.00500 -0.00498 127 2PY -0.00281 -0.01763 0.01472 0.00876 -0.00301 128 2PZ -0.01530 -0.01206 0.00694 0.00835 -0.00919 129 3S -0.01790 -0.00114 0.04083 -0.00819 -0.00973 130 3PX 0.01285 0.00853 -0.00807 -0.02081 -0.00120 131 3PY -0.00144 0.01041 0.01209 -0.01393 -0.00634 132 3PZ -0.01589 -0.00855 0.00736 -0.00722 -0.00800 133 4XX 0.00008 -0.00067 -0.00035 0.00020 0.00043 134 4YY -0.00011 0.00040 0.00008 -0.00049 0.00088 135 4ZZ 0.00093 -0.00007 -0.00083 -0.00005 -0.00051 136 4XY -0.00009 -0.00546 0.00217 0.00308 0.00001 137 4XZ 0.00031 0.00234 -0.00092 -0.00171 -0.00077 138 4YZ 0.00030 0.00522 -0.00158 -0.00311 0.00202 139 18 H 1S 0.00538 0.01953 -0.00855 -0.01189 0.00795 140 2S 0.00722 0.03566 -0.01618 -0.03082 0.00730 141 19 O 1S 0.00337 0.01007 -0.00119 -0.00238 0.00144 142 2S -0.00669 -0.02195 0.00203 0.00742 0.00391 143 2PX 0.01757 0.06628 -0.01290 -0.02474 0.04870 144 2PY 0.00094 0.00084 -0.00424 -0.00146 -0.02111 145 2PZ -0.01317 -0.06209 0.01558 0.02922 -0.09211 146 3S -0.01747 -0.05590 0.00873 0.00524 -0.02042 147 3PX 0.01410 0.05226 -0.01129 -0.01699 0.04107 148 3PY 0.00345 0.00650 -0.00475 -0.00072 -0.00961 149 3PZ -0.00984 -0.05298 0.01507 0.02889 -0.06529 150 4XX 0.00044 0.00442 -0.00134 -0.00168 0.00033 151 4YY 0.00059 -0.00046 0.00067 0.00094 0.00178 152 4ZZ 0.00092 -0.00040 -0.00037 0.00115 0.00200 153 4XY -0.00095 -0.00295 0.00044 0.00067 -0.00204 154 4XZ -0.00084 -0.00236 0.00032 0.00077 -0.00053 155 4YZ 0.00061 0.00133 0.00013 -0.00079 0.00375 156 20 O 1S -0.00146 -0.00291 0.00133 0.00101 0.00457 157 2S 0.00284 0.00860 -0.00304 -0.00527 -0.01158 158 2PX -0.00718 -0.00222 0.00518 0.00201 0.01284 159 2PY 0.00170 0.00767 -0.00656 -0.00397 -0.00841 160 2PZ 0.00620 -0.00801 0.00389 0.00418 -0.00224 161 3S 0.00705 0.01489 -0.00944 0.00560 -0.00786 162 3PX -0.00720 0.00158 0.00442 -0.00312 0.00783 163 3PY 0.00141 0.00583 -0.00675 -0.00124 -0.00527 164 3PZ 0.00706 -0.00302 0.00182 -0.00072 -0.00104 165 4XX -0.00081 -0.00128 0.00060 0.00032 -0.00078 166 4YY -0.00013 0.00076 0.00003 -0.00104 -0.00018 167 4ZZ 0.00024 0.00126 -0.00029 -0.00124 0.00069 168 4XY -0.00026 0.00034 -0.00010 -0.00031 0.00056 169 4XZ 0.00020 0.00061 -0.00015 -0.00021 0.00010 170 4YZ 0.00005 0.00071 -0.00019 -0.00044 0.00019 171 21 C 1S 0.00024 -0.00298 0.00030 0.00114 -0.00368 172 2S -0.00033 0.00787 -0.00137 -0.00187 0.00582 173 2PX -0.00248 -0.01144 0.00153 0.00334 -0.01153 174 2PY 0.00450 0.02132 -0.00325 -0.00770 0.01392 175 2PZ 0.00111 -0.00275 0.00073 0.00114 0.00543 176 3S -0.00143 0.01460 -0.00082 -0.00542 0.00444 177 3PX -0.00222 -0.00299 0.00133 0.00394 -0.00017 178 3PY 0.00297 0.02402 -0.00634 -0.01165 0.00332 179 3PZ -0.00114 -0.01039 0.00087 0.00566 -0.00744 180 4XX -0.00037 -0.00278 0.00051 0.00110 -0.00272 181 4YY 0.00011 0.00156 -0.00022 -0.00039 0.00080 182 4ZZ 0.00031 0.00053 -0.00017 -0.00010 0.00178 183 4XY 0.00052 0.00176 -0.00062 -0.00084 -0.00033 184 4XZ 0.00043 0.00163 -0.00015 -0.00077 0.00332 185 4YZ -0.00087 -0.00279 0.00053 0.00119 -0.00359 186 22 H 1S -0.00249 -0.01279 0.00197 0.00486 -0.01620 187 2S -0.00161 -0.02778 0.00338 0.00985 -0.02885 188 23 H 1S 0.00132 0.00532 -0.00104 -0.00240 0.01210 189 2S 0.00386 0.01248 -0.00334 -0.00852 0.02085 41 42 43 44 45 41 3PX 0.13456 42 3PY -0.02085 0.05435 43 3PZ -0.05105 0.00139 0.08690 44 4XX 0.00215 -0.00209 -0.00293 0.00127 45 4YY 0.00070 0.00642 -0.00124 -0.00040 0.00185 46 4ZZ -0.00300 -0.00273 0.00383 0.00022 -0.00083 47 4XY -0.00336 0.00167 0.00001 -0.00012 0.00016 48 4XZ 0.00247 -0.00207 -0.00273 0.00009 -0.00034 49 4YZ -0.00016 0.00083 -0.00367 0.00033 -0.00008 50 6 H 1S 0.00248 0.08502 -0.01079 -0.00811 0.01662 51 2S -0.00815 0.07297 0.00335 -0.00547 0.01575 52 7 C 1S 0.00343 -0.01020 -0.00253 -0.00044 -0.00079 53 2S -0.00831 0.00626 0.00977 -0.00028 0.00055 54 2PX -0.09452 0.00784 0.02868 -0.00117 0.00141 55 2PY -0.02860 -0.01049 0.01664 -0.00089 0.00117 56 2PZ 0.04063 0.02201 -0.04661 0.00130 -0.00177 57 3S -0.01189 0.00697 -0.00802 0.00016 0.00058 58 3PX -0.08214 0.00689 0.03538 -0.00161 0.00113 59 3PY -0.00690 -0.01224 -0.00961 0.00008 -0.00026 60 3PZ 0.03536 0.00961 -0.03040 0.00069 -0.00130 61 4XX -0.00162 -0.00008 0.00069 0.00004 -0.00005 62 4YY 0.00113 0.00026 -0.00130 -0.00005 0.00037 63 4ZZ 0.00100 0.00042 0.00006 0.00011 -0.00018 64 4XY -0.00039 -0.00061 -0.00089 0.00008 -0.00010 65 4XZ -0.00136 -0.00046 0.00148 -0.00005 -0.00001 66 4YZ -0.00057 0.00084 -0.00190 0.00002 0.00011 67 8 H 1S 0.00885 0.00887 -0.00706 0.00003 0.00087 68 2S 0.02051 0.00300 -0.01989 0.00000 0.00156 69 9 C 1S 0.00170 0.00483 0.00524 -0.00217 0.00156 70 2S -0.01260 -0.01501 -0.01805 0.00326 -0.00345 71 2PX -0.04391 -0.00852 -0.05917 -0.00835 -0.00282 72 2PY -0.03957 -0.01130 -0.02974 0.00374 -0.00944 73 2PZ -0.03898 -0.01733 -0.04185 0.00582 -0.00290 74 3S 0.01343 -0.02718 -0.03145 0.00542 -0.00724 75 3PX -0.02375 -0.00356 -0.02816 -0.00302 -0.00228 76 3PY -0.02540 -0.00174 -0.00868 0.00205 -0.00365 77 3PZ -0.02247 -0.00470 -0.01693 0.00314 -0.00214 78 4XX 0.00668 -0.00209 -0.00404 0.00072 -0.00025 79 4YY -0.00045 0.00350 0.00122 -0.00030 0.00084 80 4ZZ -0.00567 -0.00006 0.00431 -0.00057 -0.00041 81 4XY -0.00178 0.00226 -0.00329 -0.00043 0.00024 82 4XZ -0.00103 -0.00120 -0.00202 -0.00031 -0.00014 83 4YZ -0.00284 0.00179 -0.00106 0.00007 0.00018 84 10 H 1S 0.02696 -0.01210 0.00689 0.00852 -0.00238 85 2S 0.04471 -0.01396 -0.00205 0.00744 -0.00166 86 11 H 1S -0.00861 -0.00046 0.01725 -0.00315 -0.00269 87 2S -0.02826 0.00502 0.03714 -0.00458 -0.00207 88 12 C 1S -0.00005 -0.00297 -0.00497 0.00045 -0.00142 89 2S 0.00390 0.00873 0.00966 -0.00095 0.00319 90 2PX 0.01467 -0.02169 0.02705 -0.00047 0.00069 91 2PY 0.01498 0.01261 0.01785 -0.00244 0.00808 92 2PZ 0.00689 -0.01257 0.01017 -0.00109 0.00085 93 3S -0.02905 0.02680 0.03638 -0.00265 0.00575 94 3PX 0.00964 -0.01198 0.01673 0.00002 -0.00023 95 3PY 0.00005 0.01613 0.01327 -0.00159 0.00556 96 3PZ 0.00019 -0.00304 0.01047 -0.00061 0.00032 97 4XX -0.00402 0.00000 0.00058 -0.00003 -0.00010 98 4YY 0.00173 -0.00037 -0.00042 0.00006 0.00009 99 4ZZ 0.00215 0.00033 -0.00125 0.00010 -0.00023 100 4XY -0.00168 0.00002 -0.00246 -0.00019 -0.00017 101 4XZ 0.00002 -0.00076 0.00127 -0.00006 0.00006 102 4YZ -0.00205 -0.00053 -0.00114 0.00022 -0.00012 103 13 H 1S 0.00149 0.00440 -0.00933 0.00148 -0.00152 104 2S 0.01142 0.00185 -0.01853 0.00239 -0.00248 105 14 H 1S -0.02216 0.00996 -0.01260 -0.00032 -0.00102 106 2S -0.02883 0.00250 -0.01212 -0.00043 -0.00203 107 15 C 1S 0.00004 0.00140 0.00539 -0.00117 0.00008 108 2S 0.00216 -0.00540 -0.00889 0.00202 -0.00132 109 2PX -0.06338 0.00958 0.04568 -0.00413 0.00200 110 2PY 0.01665 0.00035 -0.02345 0.00259 -0.00199 111 2PZ 0.06051 -0.02168 -0.04287 0.00356 -0.00090 112 3S 0.01593 -0.01741 -0.01387 0.00247 -0.00285 113 3PX -0.04196 0.00784 0.03719 -0.00353 0.00204 114 3PY 0.02789 -0.00033 -0.02219 0.00196 0.00003 115 3PZ 0.03871 -0.01251 -0.02314 0.00186 -0.00072 116 4XX 0.00377 -0.00275 -0.00391 -0.00016 0.00001 117 4YY -0.00109 0.00074 0.00119 -0.00007 0.00015 118 4ZZ -0.00145 0.00224 0.00186 0.00014 -0.00003 119 4XY -0.00156 -0.00189 0.00098 0.00005 -0.00011 120 4XZ -0.00458 0.00115 0.00211 0.00007 -0.00007 121 4YZ 0.00232 0.00026 0.00021 -0.00008 0.00014 122 16 H 1S -0.02254 0.01069 0.00694 0.00073 -0.00118 123 2S -0.04293 0.01625 0.02358 -0.00068 -0.00045 124 17 C 1S 0.00291 0.00119 -0.00260 0.00024 -0.00007 125 2S -0.00729 0.00026 0.00499 -0.00030 0.00036 126 2PX 0.01485 0.01266 0.00068 -0.00126 0.00064 127 2PY -0.01430 -0.00282 0.01855 -0.00119 0.00103 128 2PZ -0.02574 -0.00904 -0.00178 0.00139 -0.00063 129 3S -0.00299 0.00289 -0.00039 0.00013 0.00170 130 3PX 0.01712 0.00775 -0.00678 -0.00033 0.00053 131 3PY 0.01234 0.00361 -0.00139 0.00014 0.00098 132 3PZ -0.01411 -0.00454 -0.00698 0.00142 -0.00051 133 4XX -0.00098 -0.00086 -0.00015 -0.00003 -0.00004 134 4YY 0.00024 -0.00030 -0.00009 0.00002 -0.00001 135 4ZZ 0.00054 0.00100 -0.00011 0.00000 0.00001 136 4XY -0.00373 0.00080 0.00275 -0.00022 0.00012 137 4XZ 0.00234 0.00078 -0.00178 0.00009 -0.00006 138 4YZ 0.00404 -0.00121 -0.00259 0.00017 -0.00007 139 18 H 1S 0.02139 0.00249 -0.01046 0.00033 -0.00020 140 2S 0.03646 0.00298 -0.02164 0.00129 -0.00042 141 19 O 1S 0.00263 0.00207 -0.00641 0.00006 0.00031 142 2S -0.00682 -0.00695 0.01294 -0.00007 -0.00072 143 2PX 0.04551 -0.02806 -0.03117 -0.00328 0.00077 144 2PY 0.01180 -0.00719 0.01289 0.00016 0.00000 145 2PZ -0.03823 0.05302 0.04300 0.00251 0.00015 146 3S -0.02384 -0.00112 0.02508 -0.00018 -0.00078 147 3PX 0.03456 -0.02404 -0.02366 -0.00192 0.00033 148 3PY 0.01157 -0.00613 0.00743 -0.00012 0.00010 149 3PZ -0.03392 0.03855 0.03641 0.00158 0.00028 150 4XX 0.00300 -0.00034 -0.00159 0.00023 -0.00008 151 4YY -0.00115 0.00060 -0.00051 -0.00007 0.00004 152 4ZZ -0.00059 -0.00102 0.00014 -0.00017 0.00001 153 4XY -0.00209 0.00096 0.00127 0.00014 -0.00002 154 4XZ -0.00173 0.00002 0.00067 0.00003 -0.00005 155 4YZ 0.00076 -0.00165 -0.00120 -0.00017 0.00004 156 20 O 1S -0.00208 -0.00260 0.00092 -0.00012 -0.00012 157 2S 0.00614 0.00614 -0.00469 0.00034 0.00021 158 2PX -0.00674 -0.01519 0.00522 -0.00028 -0.00017 159 2PY 0.00804 -0.00076 -0.00885 0.00028 -0.00052 160 2PZ 0.00040 0.01152 0.00888 -0.00064 0.00104 161 3S 0.01129 0.00441 0.00202 -0.00003 0.00004 162 3PX -0.00337 -0.01145 -0.00046 0.00008 -0.00017 163 3PY 0.00637 -0.00115 -0.00584 0.00023 -0.00054 164 3PZ 0.00407 0.00956 0.00421 -0.00059 0.00085 165 4XX -0.00131 0.00004 0.00027 0.00006 -0.00001 166 4YY 0.00066 0.00002 -0.00119 0.00002 -0.00001 167 4ZZ 0.00124 -0.00035 -0.00071 -0.00001 0.00000 168 4XY 0.00016 -0.00050 -0.00023 0.00001 -0.00003 169 4XZ 0.00064 0.00005 -0.00038 -0.00001 0.00000 170 4YZ 0.00054 0.00017 -0.00034 0.00004 0.00001 171 21 C 1S -0.00193 0.00126 0.00180 0.00012 0.00016 172 2S 0.00376 -0.00123 -0.00621 -0.00003 -0.00029 173 2PX -0.00372 0.00220 0.01195 0.00057 -0.00007 174 2PY 0.01392 0.00029 -0.01122 -0.00046 0.00012 175 2PZ -0.00371 -0.00570 0.00117 -0.00027 0.00020 176 3S 0.00691 -0.00086 -0.00892 0.00036 -0.00018 177 3PX -0.00163 -0.00249 0.00283 0.00001 -0.00014 178 3PY 0.01831 -0.00133 -0.01093 0.00026 -0.00009 179 3PZ -0.00652 0.00363 0.00589 0.00012 0.00009 180 4XX -0.00165 0.00215 0.00123 0.00011 0.00000 181 4YY 0.00111 -0.00083 -0.00030 -0.00008 0.00002 182 4ZZ 0.00018 -0.00126 -0.00036 -0.00006 0.00000 183 4XY 0.00147 -0.00048 -0.00065 0.00003 0.00001 184 4XZ 0.00067 -0.00188 -0.00154 -0.00013 0.00001 185 4YZ -0.00202 0.00136 0.00160 0.00013 -0.00004 186 22 H 1S -0.00529 0.01053 0.00921 0.00061 -0.00012 187 2S -0.01286 0.01947 0.01837 0.00067 0.00015 188 23 H 1S 0.00158 -0.00876 -0.00402 -0.00031 -0.00002 189 2S 0.00651 -0.01474 -0.00778 -0.00056 -0.00005 46 47 48 49 50 46 4ZZ 0.00134 47 4XY -0.00014 0.00038 48 4XZ -0.00007 -0.00002 0.00090 49 4YZ -0.00006 0.00024 0.00012 0.00071 50 6 H 1S -0.01016 0.00237 -0.00185 -0.00063 0.21689 51 2S -0.00812 0.00162 -0.00344 -0.00082 0.17480 52 7 C 1S -0.00044 0.00018 0.00002 -0.00037 -0.00248 53 2S -0.00001 -0.00039 0.00047 0.00055 0.00754 54 2PX 0.00073 -0.00017 -0.00135 0.00099 0.00732 55 2PY -0.00036 -0.00082 0.00009 0.00066 0.00905 56 2PZ 0.00002 0.00109 0.00096 0.00217 -0.00836 57 3S 0.00039 -0.00049 0.00045 0.00199 0.00683 58 3PX 0.00100 0.00039 -0.00136 0.00057 0.00885 59 3PY -0.00042 -0.00061 0.00046 0.00084 -0.00887 60 3PZ 0.00006 0.00089 0.00148 0.00190 -0.00707 61 4XX 0.00011 -0.00008 -0.00005 -0.00002 0.00003 62 4YY -0.00018 0.00010 -0.00001 -0.00011 0.00087 63 4ZZ 0.00007 0.00000 -0.00011 0.00007 -0.00035 64 4XY 0.00000 -0.00018 0.00011 -0.00008 -0.00061 65 4XZ -0.00011 -0.00011 0.00039 -0.00003 -0.00011 66 4YZ -0.00007 -0.00008 0.00003 -0.00021 0.00036 67 8 H 1S -0.00035 0.00061 -0.00011 -0.00036 0.00167 68 2S -0.00131 0.00078 0.00002 -0.00046 -0.00097 69 9 C 1S -0.00143 -0.00238 -0.00437 -0.00280 0.01192 70 2S 0.00169 0.00462 0.00809 0.00538 -0.02350 71 2PX 0.00375 0.00337 0.00315 0.00632 -0.02591 72 2PY 0.00316 -0.00344 0.00565 -0.00256 -0.03151 73 2PZ -0.00993 0.00553 0.00345 0.00441 -0.02255 74 3S 0.00263 0.00421 0.01029 0.00641 -0.07034 75 3PX 0.00258 0.00160 0.00109 0.00361 -0.02244 76 3PY 0.00115 -0.00156 0.00311 -0.00078 -0.00897 77 3PZ -0.00367 0.00259 0.00117 0.00221 -0.01990 78 4XX -0.00050 -0.00023 0.00024 -0.00007 -0.00107 79 4YY -0.00035 0.00017 -0.00032 0.00012 0.00654 80 4ZZ 0.00080 -0.00011 -0.00005 -0.00032 -0.00226 81 4XY -0.00003 0.00014 0.00001 0.00019 0.00353 82 4XZ -0.00018 0.00017 0.00018 0.00010 -0.00070 83 4YZ -0.00051 0.00025 -0.00001 0.00011 0.00328 84 10 H 1S -0.00292 -0.00078 0.00297 -0.00156 -0.00865 85 2S -0.00322 -0.00206 0.00037 -0.00201 -0.00560 86 11 H 1S 0.00875 -0.00196 0.00198 -0.00112 -0.01314 87 2S 0.00871 -0.00230 -0.00141 -0.00288 -0.01112 88 12 C 1S 0.00046 -0.00079 0.00011 -0.00080 -0.00735 89 2S -0.00115 0.00142 -0.00021 0.00154 0.01455 90 2PX -0.00134 0.00048 0.00108 0.00075 0.00327 91 2PY -0.00239 0.00547 -0.00207 0.00493 0.03619 92 2PZ -0.00022 0.00059 0.00078 0.00059 0.00281 93 3S -0.00201 0.00198 -0.00035 0.00157 0.04866 94 3PX -0.00032 0.00015 0.00028 0.00036 -0.00062 95 3PY -0.00155 0.00250 -0.00257 0.00196 0.03681 96 3PZ 0.00031 0.00042 0.00025 0.00007 0.00267 97 4XX 0.00014 -0.00020 -0.00013 -0.00011 -0.00016 98 4YY -0.00005 0.00026 0.00024 0.00023 -0.00012 99 4ZZ 0.00001 -0.00012 0.00004 -0.00014 -0.00079 100 4XY 0.00019 0.00005 0.00006 0.00017 -0.00163 101 4XZ -0.00004 0.00001 0.00006 0.00001 0.00031 102 4YZ -0.00025 0.00011 0.00007 0.00011 -0.00123 103 13 H 1S -0.00049 -0.00075 0.00039 -0.00062 -0.00709 104 2S -0.00056 -0.00054 0.00038 -0.00067 -0.01348 105 14 H 1S 0.00149 -0.00087 -0.00039 -0.00054 -0.00554 106 2S 0.00252 -0.00114 -0.00119 -0.00035 -0.01239 107 15 C 1S -0.00041 0.00011 0.00101 -0.00033 0.00351 108 2S 0.00005 -0.00072 -0.00281 0.00076 -0.00613 109 2PX -0.00061 0.00214 0.00601 -0.00200 0.01582 110 2PY 0.00069 0.00057 -0.00293 -0.00008 -0.01298 111 2PZ -0.00119 -0.00182 -0.00182 0.00168 -0.00548 112 3S 0.00019 -0.00121 -0.00361 0.00034 -0.02332 113 3PX -0.00070 0.00115 0.00414 -0.00204 0.01586 114 3PY -0.00085 -0.00008 -0.00154 0.00065 0.00394 115 3PZ -0.00039 -0.00128 -0.00210 0.00043 -0.00445 116 4XX -0.00010 0.00002 0.00029 0.00009 0.00013 117 4YY 0.00002 0.00001 -0.00009 0.00000 0.00115 118 4ZZ 0.00004 0.00003 0.00001 -0.00010 -0.00051 119 4XY 0.00014 -0.00001 -0.00024 0.00002 -0.00129 120 4XZ 0.00016 0.00011 -0.00027 -0.00001 -0.00029 121 4YZ -0.00021 0.00003 0.00044 -0.00005 0.00132 122 16 H 1S 0.00145 0.00043 -0.00289 -0.00033 -0.00755 123 2S 0.00205 0.00066 -0.00205 -0.00100 -0.00284 124 17 C 1S 0.00001 0.00027 0.00049 -0.00025 -0.00157 125 2S 0.00038 -0.00025 -0.00107 0.00040 0.00237 126 2PX -0.00194 0.00122 0.00619 -0.00130 0.00430 127 2PY -0.00083 -0.00074 0.00141 0.00016 0.00874 128 2PZ 0.00185 -0.00073 -0.00555 0.00105 -0.00434 129 3S 0.00004 -0.00048 -0.00209 0.00116 0.01882 130 3PX -0.00198 0.00048 0.00506 -0.00053 0.00227 131 3PY -0.00133 -0.00017 0.00188 0.00013 0.00882 132 3PZ 0.00116 -0.00049 -0.00352 0.00100 -0.00334 133 4XX 0.00004 0.00002 -0.00011 0.00003 -0.00027 134 4YY -0.00003 -0.00003 -0.00004 0.00003 0.00011 135 4ZZ -0.00004 0.00007 0.00023 -0.00008 -0.00015 136 4XY -0.00003 0.00009 0.00026 -0.00010 0.00109 137 4XZ 0.00003 0.00008 -0.00006 0.00001 -0.00042 138 4YZ -0.00005 -0.00009 -0.00011 0.00008 -0.00054 139 18 H 1S -0.00034 0.00021 0.00086 -0.00012 -0.00200 140 2S -0.00109 0.00013 0.00196 -0.00006 -0.00474 141 19 O 1S 0.00003 -0.00009 0.00002 0.00011 0.00125 142 2S -0.00014 0.00028 -0.00003 -0.00026 -0.00261 143 2PX -0.00034 -0.00102 0.00068 0.00025 0.00526 144 2PY -0.00011 0.00006 0.00041 -0.00032 -0.00239 145 2PZ 0.00078 0.00019 -0.00164 -0.00033 -0.00185 146 3S 0.00104 0.00071 -0.00046 0.00033 -0.00517 147 3PX -0.00043 -0.00084 0.00008 0.00012 0.00311 148 3PY -0.00035 -0.00010 0.00086 -0.00035 -0.00103 149 3PZ 0.00031 0.00031 -0.00070 -0.00054 0.00061 150 4XX -0.00007 -0.00009 -0.00016 0.00002 -0.00048 151 4YY -0.00002 0.00001 -0.00008 -0.00002 0.00063 152 4ZZ -0.00003 0.00003 0.00015 -0.00008 0.00014 153 4XY 0.00001 0.00002 0.00003 0.00001 -0.00034 154 4XZ 0.00005 0.00005 -0.00011 0.00001 -0.00032 155 4YZ -0.00006 0.00001 0.00017 0.00001 0.00055 156 20 O 1S -0.00010 -0.00009 -0.00001 0.00003 0.00034 157 2S 0.00019 0.00022 -0.00001 0.00002 -0.00088 158 2PX 0.00013 -0.00113 -0.00181 0.00051 0.00065 159 2PY 0.00023 0.00053 -0.00036 -0.00004 -0.00349 160 2PZ -0.00054 0.00061 0.00291 -0.00067 0.00569 161 3S 0.00037 0.00019 -0.00034 -0.00034 -0.00296 162 3PX 0.00021 -0.00088 -0.00170 0.00056 0.00010 163 3PY 0.00038 0.00043 -0.00067 -0.00006 -0.00390 164 3PZ -0.00068 0.00053 0.00291 -0.00055 0.00487 165 4XX 0.00007 -0.00002 -0.00018 0.00003 -0.00010 166 4YY 0.00001 0.00003 -0.00004 0.00002 0.00003 167 4ZZ -0.00008 -0.00001 0.00017 -0.00001 0.00005 168 4XY 0.00002 -0.00002 -0.00010 0.00002 -0.00015 169 4XZ 0.00001 0.00003 0.00000 0.00000 0.00001 170 4YZ 0.00000 0.00000 0.00002 -0.00001 -0.00004 171 21 C 1S 0.00000 0.00009 0.00028 -0.00002 0.00010 172 2S 0.00021 -0.00009 -0.00103 0.00011 -0.00066 173 2PX -0.00019 0.00001 0.00039 -0.00014 -0.00114 174 2PY -0.00036 -0.00032 0.00031 0.00006 0.00164 175 2PZ 0.00013 0.00026 0.00035 -0.00013 0.00106 176 3S 0.00015 -0.00023 -0.00132 0.00028 -0.00022 177 3PX 0.00032 0.00005 -0.00112 -0.00004 -0.00044 178 3PY -0.00034 -0.00020 0.00033 0.00009 -0.00108 179 3PZ 0.00010 0.00030 0.00018 -0.00027 -0.00048 180 4XX -0.00001 0.00007 0.00008 -0.00004 -0.00008 181 4YY 0.00000 -0.00007 -0.00004 0.00001 0.00007 182 4ZZ -0.00003 0.00001 0.00008 -0.00002 0.00010 183 4XY -0.00002 0.00002 0.00005 -0.00001 -0.00008 184 4XZ -0.00001 0.00000 0.00002 0.00003 0.00028 185 4YZ 0.00006 0.00000 -0.00017 0.00001 -0.00034 186 22 H 1S -0.00010 0.00014 0.00018 -0.00016 -0.00109 187 2S -0.00040 0.00043 0.00174 -0.00049 -0.00069 188 23 H 1S 0.00003 0.00004 -0.00001 0.00002 0.00047 189 2S -0.00026 -0.00022 0.00094 0.00021 0.00051 51 52 53 54 55 51 2S 0.16312 52 7 C 1S -0.00361 2.05494 53 2S 0.01354 -0.06108 0.32600 54 2PX 0.02064 -0.00137 -0.00135 0.34895 55 2PY 0.02463 0.00186 0.00372 -0.01259 0.41139 56 2PZ -0.02719 -0.00409 0.00570 0.03323 0.01965 57 3S 0.01579 -0.19678 0.28869 0.04143 -0.00159 58 3PX 0.02052 -0.00513 0.00814 0.20157 0.02642 59 3PY -0.00299 -0.00719 -0.00824 0.02145 0.13271 60 3PZ -0.01990 0.00797 -0.01693 -0.04361 -0.00316 61 4XX 0.00000 -0.01165 -0.01268 0.00008 0.00550 62 4YY 0.00156 -0.01845 0.00165 0.00442 -0.02175 63 4ZZ -0.00131 -0.01376 -0.00746 -0.00382 0.00996 64 4XY -0.00078 0.00144 -0.00305 0.00713 0.00232 65 4XZ 0.00002 -0.00268 0.00572 0.00067 0.00586 66 4YZ 0.00046 -0.00106 0.00231 0.00357 0.00095 67 8 H 1S -0.00097 -0.05974 0.11313 0.03566 -0.26354 68 2S -0.00327 -0.01318 0.02653 0.02582 -0.24292 69 9 C 1S 0.01495 -0.00188 0.00452 -0.00258 0.00948 70 2S -0.02651 0.00482 -0.00915 0.01153 -0.01815 71 2PX -0.05282 0.00233 -0.01074 0.01516 -0.00543 72 2PY -0.05872 -0.01008 0.02606 -0.02638 0.03534 73 2PZ -0.04426 0.00332 -0.00979 0.00894 -0.00623 74 3S -0.07134 -0.00250 -0.01274 -0.02496 -0.07999 75 3PX -0.03189 -0.00056 -0.00525 0.01173 -0.00079 76 3PY -0.01736 -0.00694 0.02183 -0.01114 0.05358 77 3PZ -0.02752 -0.00008 -0.00677 0.00006 -0.00804 78 4XX -0.00228 0.00016 -0.00042 -0.00365 -0.00128 79 4YY 0.00714 -0.00049 0.00081 0.00065 0.00189 80 4ZZ -0.00258 -0.00026 0.00065 0.00200 0.00081 81 4XY 0.00143 0.00116 -0.00266 0.00330 -0.00360 82 4XZ -0.00284 0.00026 -0.00086 0.00015 -0.00083 83 4YZ 0.00149 0.00106 -0.00215 0.00485 -0.00280 84 10 H 1S -0.00363 -0.00198 0.00839 -0.02436 0.00436 85 2S -0.00186 -0.00264 0.00789 -0.03233 0.01228 86 11 H 1S -0.00818 -0.00413 0.01082 -0.00466 0.01091 87 2S -0.00324 -0.00541 0.01201 -0.00033 0.02100 88 12 C 1S -0.00920 0.01244 -0.02357 0.03606 -0.02998 89 2S 0.01851 -0.02396 0.03949 -0.07419 0.05503 90 2PX 0.01492 -0.04790 0.10348 -0.10579 0.09325 91 2PY 0.05934 0.02375 -0.04950 0.08847 -0.03189 92 2PZ 0.01381 -0.04592 0.09406 -0.13904 0.08293 93 3S 0.05329 0.00574 0.02217 -0.05713 0.11781 94 3PX 0.00389 -0.00940 0.03226 -0.05668 0.04713 95 3PY 0.04916 0.00508 -0.00885 0.04984 0.00330 96 3PZ 0.00735 -0.00844 0.03021 -0.07258 0.04278 97 4XX 0.00001 -0.00124 0.00156 0.00791 0.00281 98 4YY 0.00026 0.00066 -0.00218 0.00160 -0.00988 99 4ZZ -0.00199 -0.00153 0.00225 -0.00636 0.00273 100 4XY -0.00254 0.00307 -0.00570 0.00321 0.00243 101 4XZ 0.00110 -0.00455 0.00898 -0.00379 0.00623 102 4YZ -0.00177 0.00296 -0.00534 0.00633 0.00254 103 13 H 1S -0.01833 0.00836 -0.01923 0.00781 -0.00217 104 2S -0.02633 0.01324 -0.02578 -0.00588 -0.01067 105 14 H 1S -0.01301 0.00784 -0.02317 0.02370 -0.00466 106 2S -0.01782 0.01198 -0.02844 0.06284 -0.00792 107 15 C 1S 0.00299 -0.00087 0.00340 0.00345 0.00462 108 2S -0.00426 0.00284 -0.00361 -0.00871 -0.00685 109 2PX 0.02176 -0.00614 0.01795 0.00239 0.00664 110 2PY -0.01746 -0.00131 0.00280 0.01762 0.01473 111 2PZ -0.01240 0.00598 -0.01531 -0.01206 -0.00694 112 3S -0.02506 -0.00273 -0.01790 -0.00114 -0.04085 113 3PX 0.01979 -0.00469 0.01285 0.00853 0.00807 114 3PY 0.00221 0.00257 0.00144 -0.01040 0.01210 115 3PZ -0.00896 0.00230 -0.01589 -0.00857 -0.00737 116 4XX -0.00085 -0.00010 0.00008 -0.00067 0.00035 117 4YY 0.00170 0.00014 -0.00011 0.00040 -0.00009 118 4ZZ -0.00047 -0.00016 0.00093 -0.00007 0.00083 119 4XY -0.00010 -0.00029 0.00009 0.00546 0.00217 120 4XZ 0.00036 -0.00012 0.00031 0.00234 0.00092 121 4YZ 0.00092 0.00042 -0.00030 -0.00522 -0.00158 122 16 H 1S -0.00512 -0.00232 0.00538 0.01953 0.00854 123 2S 0.00157 -0.00405 0.00722 0.03564 0.01617 124 17 C 1S -0.00290 -0.00178 0.00203 -0.01015 -0.00432 125 2S 0.00462 0.00088 -0.01176 0.01513 0.00319 126 2PX -0.00196 0.00337 -0.00217 -0.09620 -0.03274 127 2PY 0.01591 -0.00036 0.00341 -0.02837 -0.01781 128 2PZ 0.00488 -0.00708 0.00896 0.08500 0.02216 129 3S 0.02528 0.01627 -0.00059 0.03826 0.03811 130 3PX -0.00329 -0.00364 0.00783 -0.05824 -0.02308 131 3PY 0.00983 0.00002 0.00570 -0.03775 0.00624 132 3PZ 0.00171 0.00155 0.00701 0.05986 0.01612 133 4XX 0.00021 -0.00145 0.00260 0.00450 0.00217 134 4YY 0.00003 -0.00025 -0.00060 -0.00146 -0.00225 135 4ZZ -0.00073 -0.00002 -0.00077 -0.00198 -0.00006 136 4XY 0.00139 -0.00061 0.00158 0.00189 -0.00082 137 4XZ -0.00109 0.00108 -0.00262 -0.00601 -0.00200 138 4YZ -0.00106 0.00072 -0.00176 -0.00142 0.00062 139 18 H 1S -0.00900 0.00590 -0.01362 -0.02038 -0.00124 140 2S -0.01453 0.00655 -0.01226 -0.04794 -0.01065 141 19 O 1S -0.00309 0.00002 -0.00146 -0.00291 -0.00133 142 2S 0.00678 -0.00038 0.00284 0.00861 0.00305 143 2PX 0.00002 0.00122 -0.00718 -0.00223 -0.00519 144 2PY 0.01305 0.00050 -0.00170 -0.00768 -0.00657 145 2PZ 0.00161 -0.00102 0.00620 -0.00800 -0.00389 146 3S 0.01142 0.00101 0.00705 0.01490 0.00945 147 3PX -0.00016 0.00035 -0.00720 0.00157 -0.00443 148 3PY 0.00825 0.00003 -0.00141 -0.00584 -0.00675 149 3PZ 0.00428 -0.00184 0.00707 -0.00302 -0.00182 150 4XX -0.00078 0.00036 -0.00081 -0.00128 -0.00060 151 4YY -0.00041 -0.00018 -0.00013 0.00076 -0.00003 152 4ZZ 0.00015 -0.00033 0.00024 0.00126 0.00029 153 4XY -0.00006 0.00006 0.00026 -0.00034 -0.00010 154 4XZ 0.00008 -0.00003 0.00020 0.00061 0.00015 155 4YZ 0.00024 0.00003 -0.00005 -0.00071 -0.00019 156 20 O 1S 0.00124 -0.00086 0.00337 0.01008 0.00120 157 2S -0.00302 0.00268 -0.00668 -0.02196 -0.00204 158 2PX 0.00815 -0.00889 0.01757 0.06629 0.01291 159 2PY -0.00103 -0.00038 -0.00094 -0.00085 -0.00424 160 2PZ -0.00002 0.00866 -0.01317 -0.06209 -0.01558 161 3S -0.00582 0.00061 -0.01746 -0.05593 -0.00874 162 3PX 0.00565 -0.00485 0.01409 0.05228 0.01129 163 3PY -0.00233 0.00011 -0.00345 -0.00651 -0.00475 164 3PZ -0.00050 0.00749 -0.00983 -0.05298 -0.01508 165 4XX 0.00025 -0.00003 0.00044 0.00442 0.00134 166 4YY -0.00002 0.00025 0.00059 -0.00045 -0.00067 167 4ZZ -0.00007 0.00030 0.00092 -0.00040 0.00037 168 4XY -0.00003 -0.00038 0.00095 0.00295 0.00044 169 4XZ -0.00015 0.00027 -0.00084 -0.00236 -0.00032 170 4YZ -0.00035 0.00036 -0.00061 -0.00133 0.00013 171 21 C 1S 0.00086 0.00027 0.00024 -0.00298 -0.00030 172 2S -0.00313 -0.00037 -0.00033 0.00788 0.00138 173 2PX 0.00343 0.00136 -0.00248 -0.01145 -0.00154 174 2PY -0.00631 0.00231 -0.00450 -0.02133 -0.00326 175 2PZ 0.00331 -0.00019 0.00112 -0.00274 -0.00073 176 3S -0.00302 -0.00011 -0.00143 0.01461 0.00083 177 3PX 0.00209 0.00091 -0.00222 -0.00299 -0.00133 178 3PY -0.00436 0.00177 -0.00297 -0.02403 -0.00634 179 3PZ 0.00069 0.00031 -0.00114 -0.01039 -0.00087 180 4XX -0.00033 0.00038 -0.00037 -0.00278 -0.00051 181 4YY 0.00029 -0.00008 0.00011 0.00156 0.00022 182 4ZZ 0.00030 -0.00012 0.00031 0.00053 0.00017 183 4XY 0.00018 0.00018 -0.00052 -0.00176 -0.00062 184 4XZ 0.00021 -0.00032 0.00043 0.00163 0.00015 185 4YZ 0.00030 -0.00046 0.00087 0.00279 0.00053 186 22 H 1S -0.00100 0.00153 -0.00249 -0.01279 -0.00197 187 2S -0.00061 0.00193 -0.00161 -0.02779 -0.00339 188 23 H 1S 0.00154 -0.00090 0.00132 0.00532 0.00104 189 2S 0.00165 -0.00194 0.00386 0.01248 0.00334 56 57 58 59 60 56 2PZ 0.39186 57 3S 0.00462 0.29355 58 3PX -0.03981 0.03135 0.13459 59 3PY 0.01204 0.00442 0.02086 0.05435 60 3PZ 0.16555 -0.02128 -0.05104 -0.00139 0.08688 61 4XX -0.00825 -0.01007 0.00215 0.00209 -0.00293 62 4YY -0.00238 0.00408 0.00070 -0.00642 -0.00124 63 4ZZ 0.00780 -0.00795 -0.00300 0.00273 0.00383 64 4XY 0.00298 -0.00191 0.00336 0.00167 0.00000 65 4XZ -0.00628 0.00466 0.00247 0.00207 -0.00273 66 4YZ 0.01163 0.00248 0.00016 0.00083 0.00367 67 8 H 1S -0.01525 0.11156 0.00248 -0.08502 -0.01082 68 2S 0.00119 0.03260 -0.00816 -0.07297 0.00332 69 9 C 1S -0.00506 0.00063 -0.00005 0.00297 -0.00496 70 2S 0.01178 -0.00690 0.00391 -0.00873 0.00964 71 2PX 0.01074 0.01496 0.01466 0.02170 0.02705 72 2PY -0.01527 0.02631 -0.01500 0.01262 -0.01784 73 2PZ 0.01169 -0.01131 0.00689 0.01255 0.01018 74 3S 0.03942 -0.00945 -0.02904 -0.02682 0.03636 75 3PX 0.01385 0.01044 0.00961 0.01197 0.01674 76 3PY -0.01822 0.01954 -0.00004 0.01613 -0.01327 77 3PZ 0.01470 -0.00765 0.00017 0.00303 0.01048 78 4XX 0.00196 -0.00069 -0.00402 0.00000 0.00059 79 4YY -0.00247 0.00049 0.00173 0.00037 -0.00042 80 4ZZ -0.00116 0.00034 0.00215 -0.00033 -0.00125 81 4XY 0.00442 -0.00074 0.00167 0.00002 0.00246 82 4XZ 0.00124 -0.00067 0.00003 0.00076 0.00127 83 4YZ 0.00362 -0.00239 0.00205 -0.00053 0.00114 84 10 H 1S -0.00380 -0.00716 -0.02214 -0.00997 -0.01259 85 2S -0.00474 -0.00387 -0.02883 -0.00252 -0.01209 86 11 H 1S -0.01588 0.01436 0.00146 -0.00438 -0.00935 87 2S -0.02861 0.01289 0.01136 -0.00183 -0.01854 88 12 C 1S 0.04416 0.00108 0.00169 -0.00483 0.00524 89 2S -0.09015 0.01380 -0.01259 0.01502 -0.01805 90 2PX -0.15606 0.06879 -0.04388 0.00853 -0.05916 91 2PY 0.07092 -0.03177 0.03959 -0.01132 0.02975 92 2PZ -0.13091 0.09339 -0.03897 0.01735 -0.04187 93 3S -0.11981 -0.00959 0.01347 0.02719 -0.03146 94 3PX -0.07739 0.01393 -0.02374 0.00357 -0.02816 95 3PY 0.03351 -0.00118 0.02542 -0.00175 0.00868 96 3PZ -0.05937 0.02438 -0.02246 0.00471 -0.01695 97 4XX -0.00507 0.00362 0.00668 0.00209 -0.00403 98 4YY 0.00164 -0.00155 -0.00045 -0.00350 0.00121 99 4ZZ 0.00848 -0.00028 -0.00567 0.00006 0.00431 100 4XY 0.00650 -0.00384 0.00178 0.00226 0.00329 101 4XZ -0.00419 0.00794 -0.00103 0.00120 -0.00202 102 4YZ 0.00393 -0.00518 0.00285 0.00178 0.00106 103 13 H 1S 0.03479 -0.03973 -0.00862 0.00045 0.01726 104 2S 0.08286 -0.04435 -0.02829 -0.00504 0.03716 105 14 H 1S 0.01467 -0.01004 0.02695 0.01210 0.00690 106 2S 0.01758 -0.00441 0.04469 0.01398 -0.00202 107 15 C 1S -0.00223 -0.00191 0.00291 -0.00120 -0.00259 108 2S 0.00600 -0.00263 -0.00729 -0.00026 0.00498 109 2PX -0.00500 -0.00495 0.01484 -0.01266 0.00066 110 2PY -0.00875 0.00301 0.01430 -0.00281 -0.01855 111 2PZ 0.00835 -0.00920 -0.02574 0.00905 -0.00178 112 3S -0.00820 -0.00975 -0.00298 -0.00290 -0.00038 113 3PX -0.02081 -0.00118 0.01711 -0.00775 -0.00679 114 3PY 0.01393 0.00634 -0.01234 0.00362 0.00139 115 3PZ -0.00722 -0.00802 -0.01411 0.00453 -0.00697 116 4XX 0.00020 0.00043 -0.00098 0.00086 -0.00015 117 4YY -0.00049 0.00088 0.00024 0.00030 -0.00009 118 4ZZ -0.00005 -0.00051 0.00054 -0.00100 -0.00011 119 4XY -0.00308 -0.00001 0.00373 0.00080 -0.00275 120 4XZ -0.00171 -0.00077 0.00234 -0.00078 -0.00178 121 4YZ 0.00311 -0.00202 -0.00404 -0.00121 0.00259 122 16 H 1S -0.01188 0.00796 0.02138 -0.00249 -0.01045 123 2S -0.03079 0.00731 0.03643 -0.00298 -0.02163 124 17 C 1S 0.00361 0.00643 0.00003 -0.00140 0.00539 125 2S -0.00713 -0.00116 0.00217 0.00542 -0.00890 126 2PX 0.05345 0.00328 -0.06340 -0.00958 0.04567 127 2PY 0.01151 0.00310 -0.01665 0.00035 0.02345 128 2PZ -0.05580 0.03657 0.06052 0.02169 -0.04284 129 3S 0.00095 0.01385 0.01595 0.01743 -0.01387 130 3PX 0.04996 0.00397 -0.04196 -0.00784 0.03717 131 3PY 0.02707 0.00071 -0.02789 -0.00033 0.02218 132 3PZ -0.01994 0.01978 0.03872 0.01252 -0.02313 133 4XX -0.00488 0.00639 0.00378 0.00275 -0.00391 134 4YY 0.00099 -0.00161 -0.00109 -0.00074 0.00119 135 4ZZ 0.00252 -0.00389 -0.00145 -0.00224 0.00186 136 4XY -0.00154 -0.00038 0.00156 -0.00189 -0.00098 137 4XZ 0.00294 -0.00235 -0.00458 -0.00115 0.00211 138 4YZ 0.00120 -0.00168 -0.00232 0.00026 -0.00021 139 18 H 1S 0.02040 -0.02749 -0.02254 -0.01069 0.00693 140 2S 0.04127 -0.03277 -0.04295 -0.01626 0.02356 141 19 O 1S 0.00101 0.00457 -0.00208 0.00260 0.00092 142 2S -0.00527 -0.01157 0.00614 -0.00614 -0.00469 143 2PX 0.00202 0.01279 -0.00675 0.01516 0.00524 144 2PY 0.00397 0.00840 -0.00805 -0.00076 0.00886 145 2PZ 0.00418 -0.00221 0.00040 -0.01151 0.00887 146 3S 0.00560 -0.00784 0.01129 -0.00440 0.00201 147 3PX -0.00312 0.00779 -0.00337 0.01144 -0.00044 148 3PY 0.00124 0.00526 -0.00638 -0.00116 0.00584 149 3PZ -0.00072 -0.00101 0.00407 -0.00956 0.00421 150 4XX 0.00032 -0.00078 -0.00131 -0.00004 0.00027 151 4YY -0.00104 -0.00018 0.00066 -0.00002 -0.00119 152 4ZZ -0.00124 0.00069 0.00124 0.00035 -0.00071 153 4XY 0.00031 -0.00056 -0.00016 -0.00050 0.00023 154 4XZ -0.00021 0.00010 0.00064 -0.00005 -0.00038 155 4YZ 0.00044 -0.00019 -0.00054 0.00017 0.00034 156 20 O 1S -0.00238 0.00144 0.00263 -0.00207 -0.00641 157 2S 0.00742 0.00391 -0.00683 0.00694 0.01295 158 2PX -0.02472 0.04868 0.04553 0.02806 -0.03115 159 2PY 0.00146 0.02110 -0.01179 -0.00718 -0.01288 160 2PZ 0.02921 -0.09211 -0.03827 -0.05303 0.04297 161 3S 0.00523 -0.02043 -0.02387 0.00110 0.02509 162 3PX -0.01698 0.04105 0.03458 0.02404 -0.02365 163 3PY 0.00072 0.00960 -0.01157 -0.00613 -0.00743 164 3PZ 0.02888 -0.06529 -0.03394 -0.03855 0.03638 165 4XX -0.00168 0.00033 0.00300 0.00034 -0.00159 166 4YY 0.00094 0.00178 -0.00115 -0.00060 -0.00051 167 4ZZ 0.00115 0.00200 -0.00059 0.00102 0.00014 168 4XY -0.00067 0.00204 0.00209 0.00096 -0.00127 169 4XZ 0.00077 -0.00053 -0.00173 -0.00002 0.00067 170 4YZ 0.00079 -0.00375 -0.00076 -0.00165 0.00120 171 21 C 1S 0.00114 -0.00368 -0.00194 -0.00126 0.00180 172 2S -0.00187 0.00582 0.00377 0.00123 -0.00621 173 2PX 0.00334 -0.01153 -0.00374 -0.00221 0.01195 174 2PY 0.00770 -0.01393 -0.01393 0.00028 0.01122 175 2PZ 0.00114 0.00544 -0.00371 0.00570 0.00117 176 3S -0.00543 0.00443 0.00692 0.00086 -0.00892 177 3PX 0.00394 -0.00017 -0.00163 0.00249 0.00283 178 3PY 0.01165 -0.00332 -0.01832 -0.00133 0.01093 179 3PZ 0.00566 -0.00743 -0.00652 -0.00362 0.00588 180 4XX 0.00110 -0.00272 -0.00166 -0.00214 0.00123 181 4YY -0.00039 0.00080 0.00111 0.00083 -0.00030 182 4ZZ -0.00010 0.00178 0.00018 0.00126 -0.00035 183 4XY 0.00084 0.00033 -0.00147 -0.00048 0.00065 184 4XZ -0.00077 0.00332 0.00067 0.00188 -0.00154 185 4YZ -0.00119 0.00359 0.00202 0.00136 -0.00160 186 22 H 1S 0.00486 -0.01619 -0.00530 -0.01053 0.00920 187 2S 0.00985 -0.02883 -0.01288 -0.01947 0.01837 188 23 H 1S -0.00240 0.01209 0.00159 0.00876 -0.00402 189 2S -0.00851 0.02084 0.00651 0.01474 -0.00777 61 62 63 64 65 61 4XX 0.00127 62 4YY -0.00040 0.00185 63 4ZZ 0.00022 -0.00083 0.00134 64 4XY 0.00012 -0.00016 0.00014 0.00038 65 4XZ 0.00009 -0.00034 -0.00007 0.00002 0.00090 66 4YZ -0.00033 0.00008 0.00006 0.00024 -0.00012 67 8 H 1S -0.00811 0.01662 -0.01016 -0.00237 -0.00185 68 2S -0.00547 0.01575 -0.00812 -0.00162 -0.00344 69 9 C 1S 0.00045 -0.00142 0.00046 0.00079 0.00011 70 2S -0.00095 0.00319 -0.00115 -0.00142 -0.00021 71 2PX -0.00047 0.00069 -0.00134 -0.00048 0.00108 72 2PY 0.00243 -0.00808 0.00239 0.00547 0.00207 73 2PZ -0.00109 0.00084 -0.00022 -0.00059 0.00078 74 3S -0.00264 0.00575 -0.00201 -0.00198 -0.00035 75 3PX 0.00002 -0.00022 -0.00032 -0.00015 0.00028 76 3PY 0.00159 -0.00556 0.00155 0.00250 0.00257 77 3PZ -0.00061 0.00032 0.00032 -0.00042 0.00025 78 4XX -0.00003 -0.00010 0.00014 0.00020 -0.00013 79 4YY 0.00006 0.00009 -0.00005 -0.00026 0.00024 80 4ZZ 0.00010 -0.00023 0.00002 0.00012 0.00004 81 4XY 0.00019 0.00016 -0.00019 0.00005 -0.00006 82 4XZ -0.00006 0.00006 -0.00004 -0.00001 0.00006 83 4YZ -0.00022 0.00012 0.00025 0.00011 -0.00007 84 10 H 1S -0.00032 -0.00102 0.00150 0.00086 -0.00039 85 2S -0.00043 -0.00202 0.00253 0.00114 -0.00120 86 11 H 1S 0.00148 -0.00152 -0.00049 0.00075 0.00039 87 2S 0.00239 -0.00248 -0.00055 0.00054 0.00038 88 12 C 1S -0.00217 0.00156 -0.00143 0.00239 -0.00437 89 2S 0.00325 -0.00345 0.00169 -0.00462 0.00808 90 2PX -0.00835 -0.00282 0.00375 -0.00337 0.00314 91 2PY -0.00373 0.00945 -0.00316 -0.00344 -0.00565 92 2PZ 0.00581 -0.00289 -0.00993 -0.00554 0.00345 93 3S 0.00542 -0.00724 0.00263 -0.00422 0.01029 94 3PX -0.00303 -0.00228 0.00258 -0.00160 0.00109 95 3PY -0.00205 0.00365 -0.00115 -0.00156 -0.00312 96 3PZ 0.00314 -0.00214 -0.00367 -0.00259 0.00117 97 4XX 0.00072 -0.00025 -0.00050 0.00023 0.00024 98 4YY -0.00030 0.00084 -0.00035 -0.00017 -0.00032 99 4ZZ -0.00057 -0.00041 0.00080 0.00011 -0.00005 100 4XY 0.00043 -0.00024 0.00003 0.00014 -0.00001 101 4XZ -0.00031 -0.00014 -0.00018 -0.00017 0.00018 102 4YZ -0.00007 -0.00018 0.00051 0.00025 0.00001 103 13 H 1S -0.00315 -0.00269 0.00875 0.00196 0.00197 104 2S -0.00459 -0.00207 0.00871 0.00229 -0.00141 105 14 H 1S 0.00852 -0.00239 -0.00292 0.00078 0.00298 106 2S 0.00744 -0.00166 -0.00322 0.00206 0.00037 107 15 C 1S 0.00024 -0.00007 0.00001 -0.00027 0.00049 108 2S -0.00030 0.00036 0.00038 0.00025 -0.00107 109 2PX -0.00127 0.00064 -0.00194 -0.00123 0.00619 110 2PY 0.00119 -0.00103 0.00083 -0.00074 -0.00141 111 2PZ 0.00139 -0.00063 0.00185 0.00073 -0.00555 112 3S 0.00013 0.00170 0.00004 0.00048 -0.00209 113 3PX -0.00033 0.00053 -0.00198 -0.00048 0.00506 114 3PY -0.00014 -0.00098 0.00133 -0.00017 -0.00188 115 3PZ 0.00142 -0.00051 0.00116 0.00049 -0.00352 116 4XX -0.00003 -0.00004 0.00004 -0.00002 -0.00011 117 4YY 0.00002 -0.00001 -0.00003 0.00003 -0.00004 118 4ZZ 0.00000 0.00001 -0.00004 -0.00007 0.00023 119 4XY 0.00022 -0.00012 0.00002 0.00009 -0.00026 120 4XZ 0.00009 -0.00006 0.00003 -0.00008 -0.00006 121 4YZ -0.00017 0.00007 0.00005 -0.00009 0.00011 122 16 H 1S 0.00033 -0.00020 -0.00034 -0.00021 0.00086 123 2S 0.00129 -0.00042 -0.00109 -0.00013 0.00197 124 17 C 1S -0.00117 0.00008 -0.00041 -0.00011 0.00101 125 2S 0.00203 -0.00132 0.00005 0.00072 -0.00281 126 2PX -0.00413 0.00200 -0.00061 -0.00214 0.00601 127 2PY -0.00260 0.00199 -0.00069 0.00057 0.00293 128 2PZ 0.00356 -0.00090 -0.00120 0.00182 -0.00182 129 3S 0.00247 -0.00286 0.00019 0.00121 -0.00361 130 3PX -0.00353 0.00204 -0.00070 -0.00115 0.00414 131 3PY -0.00196 -0.00003 0.00085 -0.00007 0.00154 132 3PZ 0.00187 -0.00072 -0.00039 0.00128 -0.00210 133 4XX -0.00016 0.00001 -0.00010 -0.00002 0.00029 134 4YY -0.00007 0.00015 0.00002 -0.00001 -0.00009 135 4ZZ 0.00014 -0.00003 0.00004 -0.00003 0.00001 136 4XY -0.00005 0.00011 -0.00014 -0.00001 0.00024 137 4XZ 0.00007 -0.00007 0.00016 -0.00011 -0.00027 138 4YZ 0.00008 -0.00014 0.00021 0.00003 -0.00044 139 18 H 1S 0.00073 -0.00119 0.00145 -0.00043 -0.00289 140 2S -0.00068 -0.00045 0.00205 -0.00066 -0.00206 141 19 O 1S -0.00012 -0.00012 -0.00010 0.00009 -0.00001 142 2S 0.00034 0.00021 0.00019 -0.00022 -0.00001 143 2PX -0.00028 -0.00017 0.00013 0.00113 -0.00181 144 2PY -0.00028 0.00052 -0.00023 0.00053 0.00036 145 2PZ -0.00064 0.00104 -0.00054 -0.00061 0.00291 146 3S -0.00003 0.00004 0.00037 -0.00019 -0.00034 147 3PX 0.00008 -0.00017 0.00021 0.00088 -0.00170 148 3PY -0.00023 0.00054 -0.00038 0.00043 0.00067 149 3PZ -0.00059 0.00085 -0.00068 -0.00053 0.00291 150 4XX 0.00006 -0.00001 0.00007 0.00002 -0.00018 151 4YY 0.00002 -0.00001 0.00001 -0.00003 -0.00004 152 4ZZ -0.00001 0.00000 -0.00008 0.00001 0.00017 153 4XY -0.00001 0.00003 -0.00002 -0.00002 0.00010 154 4XZ -0.00001 0.00000 0.00001 -0.00003 0.00000 155 4YZ -0.00004 -0.00001 0.00000 0.00000 -0.00002 156 20 O 1S 0.00006 0.00031 0.00003 0.00009 0.00002 157 2S -0.00007 -0.00072 -0.00014 -0.00028 -0.00003 158 2PX -0.00328 0.00077 -0.00034 0.00102 0.00068 159 2PY -0.00016 0.00000 0.00011 0.00006 -0.00041 160 2PZ 0.00251 0.00015 0.00078 -0.00019 -0.00164 161 3S -0.00019 -0.00078 0.00104 -0.00071 -0.00046 162 3PX -0.00191 0.00033 -0.00043 0.00084 0.00008 163 3PY 0.00012 -0.00010 0.00035 -0.00010 -0.00086 164 3PZ 0.00158 0.00028 0.00031 -0.00031 -0.00070 165 4XX 0.00023 -0.00008 -0.00007 0.00009 -0.00016 166 4YY -0.00007 0.00004 -0.00002 -0.00001 -0.00008 167 4ZZ -0.00017 0.00001 -0.00003 -0.00003 0.00015 168 4XY -0.00014 0.00002 -0.00001 0.00002 -0.00003 169 4XZ 0.00003 -0.00005 0.00005 -0.00005 -0.00011 170 4YZ 0.00017 -0.00004 0.00006 0.00001 -0.00017 171 21 C 1S 0.00012 0.00016 0.00000 -0.00009 0.00028 172 2S -0.00003 -0.00029 0.00021 0.00009 -0.00103 173 2PX 0.00057 -0.00007 -0.00019 -0.00001 0.00039 174 2PY 0.00046 -0.00011 0.00036 -0.00032 -0.00031 175 2PZ -0.00027 0.00020 0.00013 -0.00026 0.00035 176 3S 0.00036 -0.00018 0.00015 0.00023 -0.00132 177 3PX 0.00001 -0.00014 0.00032 -0.00004 -0.00112 178 3PY -0.00026 0.00009 0.00034 -0.00020 -0.00033 179 3PZ 0.00012 0.00009 0.00010 -0.00030 0.00019 180 4XX 0.00011 0.00000 -0.00001 -0.00007 0.00008 181 4YY -0.00008 0.00002 0.00000 0.00007 -0.00004 182 4ZZ -0.00006 0.00000 -0.00003 -0.00001 0.00008 183 4XY -0.00003 -0.00001 0.00002 0.00002 -0.00005 184 4XZ -0.00013 0.00001 -0.00001 0.00000 0.00002 185 4YZ -0.00013 0.00004 -0.00006 0.00000 0.00017 186 22 H 1S 0.00061 -0.00012 -0.00010 -0.00014 0.00018 187 2S 0.00067 0.00015 -0.00040 -0.00043 0.00174 188 23 H 1S -0.00031 -0.00002 0.00003 -0.00004 -0.00001 189 2S -0.00056 -0.00005 -0.00026 0.00022 0.00094 66 67 68 69 70 66 4YZ 0.00071 67 8 H 1S 0.00064 0.21689 68 2S 0.00083 0.17480 0.16313 69 9 C 1S 0.00080 -0.00735 -0.00920 2.05093 70 2S -0.00154 0.01455 0.01851 -0.05356 0.30675 71 2PX -0.00075 0.00327 0.01493 0.00216 -0.00247 72 2PY 0.00493 -0.03619 -0.05935 -0.00197 0.00049 73 2PZ -0.00059 0.00279 0.01377 0.00106 -0.00015 74 3S -0.00156 0.04866 0.05328 -0.18821 0.28344 75 3PX -0.00036 -0.00061 0.00391 -0.00084 -0.00408 76 3PY 0.00195 -0.03681 -0.04916 0.00045 0.00297 77 3PZ -0.00006 0.00265 0.00732 0.00065 -0.00479 78 4XX 0.00011 -0.00016 0.00001 -0.01716 -0.00165 79 4YY -0.00023 -0.00012 0.00025 -0.01550 -0.00526 80 4ZZ 0.00014 -0.00078 -0.00199 -0.01720 -0.00155 81 4XY 0.00017 0.00162 0.00254 0.00095 -0.00184 82 4XZ -0.00001 0.00031 0.00110 0.00087 -0.00221 83 4YZ 0.00011 0.00123 0.00178 0.00108 -0.00202 84 10 H 1S 0.00054 -0.00553 -0.01300 -0.05287 0.10266 85 2S 0.00035 -0.01238 -0.01780 -0.00681 0.02188 86 11 H 1S 0.00062 -0.00710 -0.01834 -0.05232 0.10153 87 2S 0.00067 -0.01349 -0.02634 -0.00563 0.02059 88 12 C 1S 0.00280 0.01192 0.01495 0.01005 -0.01959 89 2S -0.00538 -0.02350 -0.02651 -0.01959 0.03093 90 2PX -0.00632 -0.02590 -0.05280 -0.00332 0.00745 91 2PY -0.00256 0.03152 0.05873 -0.06220 0.12851 92 2PZ -0.00441 -0.02255 -0.04426 -0.00197 0.00421 93 3S -0.00641 -0.07034 -0.07135 0.00743 0.01044 94 3PX -0.00361 -0.02243 -0.03188 -0.00123 0.00546 95 3PY -0.00078 0.00898 0.01737 -0.01339 0.04076 96 3PZ -0.00221 -0.01991 -0.02753 -0.00141 0.00470 97 4XX 0.00007 -0.00107 -0.00228 0.00213 -0.00499 98 4YY -0.00012 0.00654 0.00714 -0.00691 0.01194 99 4ZZ 0.00032 -0.00226 -0.00258 0.00191 -0.00471 100 4XY 0.00019 -0.00353 -0.00143 0.00028 -0.00034 101 4XZ -0.00010 -0.00070 -0.00284 -0.00003 0.00021 102 4YZ 0.00011 -0.00327 -0.00149 0.00016 -0.00014 103 13 H 1S 0.00111 -0.01312 -0.00817 0.00750 -0.01928 104 2S 0.00287 -0.01110 -0.00322 0.00827 -0.01896 105 14 H 1S 0.00156 -0.00867 -0.00364 0.00849 -0.02092 106 2S 0.00201 -0.00562 -0.00188 0.01082 -0.02313 107 15 C 1S 0.00025 -0.00158 -0.00291 -0.00252 0.00388 108 2S -0.00040 0.00237 0.00462 0.00480 -0.00790 109 2PX 0.00130 0.00430 -0.00196 -0.00742 0.02077 110 2PY 0.00016 -0.00874 -0.01591 0.00329 -0.00691 111 2PZ -0.00105 -0.00434 0.00488 0.00118 -0.00214 112 3S -0.00116 0.01883 0.02529 0.00751 -0.01862 113 3PX 0.00053 0.00227 -0.00329 -0.00620 0.00786 114 3PY 0.00013 -0.00883 -0.00984 0.00413 -0.00703 115 3PZ -0.00100 -0.00334 0.00171 0.00045 -0.00999 116 4XX -0.00003 -0.00027 0.00020 -0.00102 0.00157 117 4YY -0.00003 0.00011 0.00003 0.00005 -0.00062 118 4ZZ 0.00008 -0.00015 -0.00073 -0.00016 -0.00010 119 4XY -0.00010 -0.00109 -0.00139 0.00019 -0.00037 120 4XZ -0.00001 -0.00041 -0.00109 -0.00002 0.00007 121 4YZ 0.00008 0.00054 0.00106 -0.00076 0.00131 122 16 H 1S 0.00012 -0.00200 -0.00900 0.00421 -0.00920 123 2S 0.00006 -0.00474 -0.01453 0.00015 -0.00447 124 17 C 1S 0.00033 0.00352 0.00300 -0.00111 0.00217 125 2S -0.00076 -0.00613 -0.00426 0.00181 -0.00414 126 2PX 0.00200 0.01583 0.02177 -0.00868 0.01776 127 2PY -0.00008 0.01299 0.01747 -0.00054 0.00136 128 2PZ -0.00168 -0.00547 -0.01239 0.00636 -0.01399 129 3S -0.00034 -0.02334 -0.02507 0.00590 -0.00783 130 3PX 0.00204 0.01586 0.01980 -0.00658 0.01730 131 3PY 0.00065 -0.00394 -0.00221 -0.00087 0.00301 132 3PZ -0.00043 -0.00445 -0.00895 0.00574 -0.00704 133 4XX -0.00009 0.00013 -0.00085 -0.00012 0.00019 134 4YY 0.00000 0.00115 0.00170 0.00005 0.00008 135 4ZZ 0.00010 -0.00051 -0.00047 -0.00043 0.00076 136 4XY 0.00002 0.00130 0.00010 -0.00017 0.00072 137 4XZ 0.00001 -0.00029 0.00036 -0.00013 0.00013 138 4YZ -0.00005 -0.00132 -0.00092 0.00020 -0.00039 139 18 H 1S 0.00033 -0.00756 -0.00513 -0.00056 0.00176 140 2S 0.00100 -0.00284 0.00157 -0.00210 0.00548 141 19 O 1S -0.00003 0.00034 0.00124 0.00044 -0.00157 142 2S -0.00002 -0.00088 -0.00302 -0.00137 0.00300 143 2PX -0.00051 0.00065 0.00816 0.00296 -0.01007 144 2PY -0.00004 0.00349 0.00104 -0.00165 -0.00188 145 2PZ 0.00067 0.00569 -0.00002 0.00003 -0.00151 146 3S 0.00034 -0.00296 -0.00582 -0.00054 0.01055 147 3PX -0.00056 0.00011 0.00565 0.00206 -0.00958 148 3PY -0.00006 0.00390 0.00233 -0.00172 -0.00105 149 3PZ 0.00055 0.00487 -0.00050 -0.00059 -0.00080 150 4XX -0.00003 -0.00010 0.00025 0.00012 -0.00090 151 4YY -0.00002 0.00003 -0.00002 -0.00010 -0.00042 152 4ZZ 0.00001 0.00005 -0.00007 -0.00034 -0.00011 153 4XY 0.00002 0.00015 0.00003 -0.00009 0.00065 154 4XZ 0.00000 0.00001 -0.00015 0.00013 0.00010 155 4YZ -0.00001 0.00004 0.00035 -0.00005 0.00045 156 20 O 1S -0.00011 0.00125 -0.00309 0.00015 0.00042 157 2S 0.00026 -0.00261 0.00678 -0.00020 -0.00070 158 2PX -0.00025 0.00526 0.00002 0.00393 -0.00728 159 2PY -0.00032 0.00239 -0.01304 -0.00083 -0.00074 160 2PZ 0.00033 -0.00185 0.00161 -0.00361 0.00759 161 3S -0.00033 -0.00516 0.01142 -0.00062 -0.00499 162 3PX -0.00012 0.00311 -0.00016 0.00366 -0.00588 163 3PY -0.00035 0.00103 -0.00824 -0.00033 -0.00159 164 3PZ 0.00054 0.00062 0.00427 -0.00369 0.00831 165 4XX -0.00002 -0.00048 -0.00078 0.00027 -0.00037 166 4YY 0.00002 0.00063 -0.00041 0.00008 0.00010 167 4ZZ 0.00008 0.00014 0.00015 -0.00004 0.00041 168 4XY 0.00001 0.00034 0.00006 0.00015 -0.00024 169 4XZ -0.00001 -0.00032 0.00008 -0.00001 -0.00003 170 4YZ 0.00001 -0.00055 -0.00024 0.00000 0.00006 171 21 C 1S 0.00002 0.00010 0.00086 -0.00054 0.00085 172 2S -0.00011 -0.00067 -0.00313 0.00146 -0.00316 173 2PX 0.00014 -0.00114 0.00343 -0.00150 0.00258 174 2PY 0.00006 -0.00163 0.00631 0.00098 -0.00132 175 2PZ 0.00013 0.00107 0.00331 -0.00051 0.00143 176 3S -0.00028 -0.00023 -0.00303 0.00214 -0.00369 177 3PX 0.00004 -0.00044 0.00209 0.00085 -0.00243 178 3PY 0.00009 0.00108 0.00436 0.00014 -0.00061 179 3PZ 0.00027 -0.00048 0.00069 -0.00081 0.00134 180 4XX 0.00004 -0.00008 -0.00033 -0.00030 0.00069 181 4YY -0.00001 0.00007 0.00029 0.00022 -0.00059 182 4ZZ 0.00002 0.00010 0.00030 -0.00011 0.00020 183 4XY -0.00001 0.00008 -0.00018 -0.00013 -0.00007 184 4XZ -0.00003 0.00028 0.00021 0.00006 -0.00001 185 4YZ 0.00001 0.00034 -0.00030 0.00009 -0.00026 186 22 H 1S 0.00016 -0.00109 -0.00100 -0.00114 0.00218 187 2S 0.00049 -0.00069 -0.00061 -0.00345 0.00717 188 23 H 1S -0.00002 0.00047 0.00154 0.00011 0.00010 189 2S -0.00021 0.00051 0.00165 -0.00052 0.00168 71 72 73 74 75 71 2PX 0.39946 72 2PY -0.00273 0.38112 73 2PZ -0.00826 -0.00399 0.40015 74 3S 0.02740 -0.00449 0.02950 0.31660 75 3PX 0.18488 -0.00135 0.00023 0.01344 0.08895 76 3PY -0.00883 0.17478 -0.00087 -0.00453 -0.00399 77 3PZ 0.00273 -0.00166 0.17902 0.01442 0.00470 78 4XX -0.01423 0.00837 0.01104 0.00061 -0.00654 79 4YY 0.00119 -0.01525 0.00026 -0.00513 0.00060 80 4ZZ 0.00940 0.01006 -0.01441 -0.00144 0.00411 81 4XY 0.01372 -0.00047 -0.00100 -0.00145 0.00647 82 4XZ 0.01150 -0.00052 0.00892 -0.00055 0.00513 83 4YZ -0.00121 -0.00054 0.01458 -0.00172 -0.00046 84 10 H 1S -0.24468 0.08043 0.06964 0.08698 -0.11387 85 2S -0.21795 0.06582 0.06421 0.00976 -0.09997 86 11 H 1S 0.05689 0.09053 -0.24608 0.07881 0.02306 87 2S 0.05719 0.07754 -0.22659 -0.00344 0.02445 88 12 C 1S -0.00334 0.06220 -0.00193 0.00743 -0.00123 89 2S 0.00749 -0.12851 0.00413 0.01043 0.00547 90 2PX 0.00232 -0.00257 0.00518 0.00698 -0.00955 91 2PY 0.00264 -0.31517 -0.00044 0.12404 -0.00028 92 2PZ 0.00518 0.00025 0.00448 0.00175 -0.00002 93 3S 0.00700 -0.12406 0.00170 -0.02346 0.00318 94 3PX -0.00956 0.00032 0.00001 0.00318 -0.00936 95 3PY -0.01497 -0.14739 -0.00998 0.02728 -0.00757 96 3PZ -0.00257 0.00422 -0.00655 0.00287 -0.00270 97 4XX 0.00014 0.00739 -0.00083 -0.00733 0.00053 98 4YY -0.00050 -0.00832 -0.00006 0.01334 -0.00060 99 4ZZ -0.00084 0.00779 -0.00005 -0.00345 -0.00042 100 4XY 0.01106 0.00012 -0.00061 -0.00013 0.00558 101 4XZ -0.00040 0.00087 -0.00033 -0.00019 -0.00054 102 4YZ -0.00058 -0.00014 0.01102 -0.00029 -0.00002 103 13 H 1S -0.00769 0.02962 0.02139 -0.02028 -0.00205 104 2S -0.02009 0.05419 0.03580 -0.01038 -0.00787 105 14 H 1S 0.02233 0.02681 -0.00812 -0.03330 0.01770 106 2S 0.03249 0.05107 -0.01876 -0.03855 0.02210 107 15 C 1S 0.00833 0.00134 -0.00374 0.01271 0.00697 108 2S -0.01838 -0.00288 0.00642 -0.02730 -0.01247 109 2PX 0.02874 0.00193 -0.00451 0.02702 0.00066 110 2PY -0.01257 -0.00484 0.00858 -0.02355 -0.00631 111 2PZ -0.00753 0.00437 -0.00896 -0.01481 -0.00750 112 3S -0.03649 -0.00837 0.02678 -0.03284 -0.01724 113 3PX 0.01116 -0.00189 -0.00122 0.01695 -0.00040 114 3PY -0.02234 -0.00381 0.01032 -0.01115 -0.00819 115 3PZ -0.01892 0.00287 -0.00721 -0.01681 -0.00773 116 4XX 0.00369 0.00007 -0.00053 0.00053 0.00120 117 4YY -0.00094 -0.00025 -0.00026 0.00010 0.00021 118 4ZZ -0.00063 -0.00044 0.00031 0.00097 -0.00053 119 4XY -0.00065 0.00021 -0.00053 -0.00252 -0.00017 120 4XZ -0.00012 0.00013 -0.00085 -0.00241 -0.00067 121 4YZ 0.00182 -0.00009 -0.00048 0.00406 0.00018 122 16 H 1S -0.01300 -0.00258 0.00493 -0.02190 -0.00373 123 2S 0.00105 0.00321 -0.01333 -0.01599 0.00226 124 17 C 1S 0.00249 -0.00146 0.00247 0.00505 0.00016 125 2S -0.00431 0.00201 -0.00326 -0.00645 0.00019 126 2PX 0.02088 -0.00592 0.01049 0.06641 0.00534 127 2PY -0.00079 0.00078 -0.00034 0.01065 -0.00063 128 2PZ -0.01474 0.00442 -0.01051 -0.04807 0.00110 129 3S -0.01471 0.00701 -0.01729 -0.02351 -0.00234 130 3PX 0.01932 -0.00217 0.01182 0.04974 0.00345 131 3PY -0.00355 0.00164 0.00359 0.01820 -0.00167 132 3PZ -0.00956 0.00872 -0.00538 -0.03325 -0.00066 133 4XX 0.00068 -0.00028 -0.00014 -0.00132 0.00064 134 4YY -0.00046 -0.00026 0.00027 -0.00051 -0.00060 135 4ZZ 0.00082 -0.00015 0.00080 0.00260 0.00021 136 4XY 0.00117 0.00033 -0.00008 0.00093 0.00002 137 4XZ -0.00001 -0.00030 -0.00001 0.00191 0.00029 138 4YZ -0.00086 0.00029 -0.00017 -0.00113 -0.00053 139 18 H 1S 0.00018 0.00124 0.00333 0.00836 -0.00246 140 2S 0.00031 0.00297 0.01128 0.02174 -0.00374 141 19 O 1S -0.00371 -0.00109 0.00111 -0.00155 -0.00042 142 2S 0.00679 0.00234 -0.00124 -0.00300 -0.00192 143 2PX -0.01532 -0.00093 0.00048 -0.01345 0.00445 144 2PY 0.00018 0.00206 0.00205 0.03549 0.01303 145 2PZ 0.00342 -0.00210 0.00840 0.03278 0.00617 146 3S 0.02853 0.00687 -0.01185 0.01108 0.01173 147 3PX -0.01530 0.00032 0.00167 -0.01576 -0.00005 148 3PY -0.00127 0.00053 0.00238 0.02545 0.00761 149 3PZ 0.00061 -0.00217 0.00828 0.02362 0.00192 150 4XX -0.00191 -0.00015 0.00081 -0.00072 -0.00083 151 4YY -0.00058 -0.00020 0.00036 -0.00274 -0.00091 152 4ZZ -0.00008 0.00015 0.00070 -0.00033 -0.00005 153 4XY 0.00087 0.00031 -0.00007 0.00088 -0.00015 154 4XZ 0.00037 0.00003 -0.00006 -0.00093 -0.00011 155 4YZ 0.00045 0.00006 -0.00042 -0.00078 -0.00027 156 20 O 1S 0.00037 0.00041 -0.00059 -0.00489 -0.00124 157 2S -0.00066 -0.00025 0.00108 0.01225 0.00373 158 2PX -0.00858 0.00458 -0.00520 -0.03592 -0.00297 159 2PY 0.00008 -0.00243 0.00214 0.01187 0.00708 160 2PZ 0.00808 -0.00167 0.00525 0.03075 -0.00084 161 3S -0.00697 -0.00506 0.00340 0.01358 0.00143 162 3PX -0.00780 0.00547 -0.00518 -0.02875 -0.00213 163 3PY -0.00074 -0.00191 0.00125 0.00690 0.00481 164 3PZ 0.00906 -0.00125 0.00447 0.03049 0.00031 165 4XX -0.00026 0.00051 -0.00048 -0.00159 0.00004 166 4YY 0.00004 0.00005 -0.00014 0.00021 0.00025 167 4ZZ 0.00041 0.00037 0.00005 0.00073 -0.00005 168 4XY -0.00029 0.00001 -0.00011 -0.00152 -0.00010 169 4XZ 0.00002 -0.00013 -0.00009 0.00053 0.00008 170 4YZ -0.00011 0.00004 0.00009 0.00006 -0.00024 171 21 C 1S 0.00145 0.00079 0.00008 0.00408 0.00122 172 2S -0.00494 -0.00162 -0.00043 -0.01164 -0.00216 173 2PX 0.00379 0.00213 -0.00052 0.01697 0.00153 174 2PY -0.00600 -0.00249 0.00262 -0.00750 -0.00583 175 2PZ 0.00241 0.00040 -0.00198 0.00015 0.00060 176 3S -0.00726 -0.00447 -0.00090 -0.01289 -0.00265 177 3PX -0.00254 0.00088 -0.00503 -0.00460 -0.00042 178 3PY -0.00593 -0.00186 0.00317 0.00562 -0.00172 179 3PZ 0.00149 0.00003 0.00104 0.00581 -0.00012 180 4XX 0.00092 -0.00011 0.00026 0.00219 -0.00008 181 4YY -0.00082 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 0.00313 -0.00017 0.00208 0.01396 0.00034 187 2S 0.01062 0.00033 0.00672 0.03206 0.00215 188 23 H 1S -0.00004 0.00019 -0.00255 -0.00594 -0.00052 189 2S 0.00244 0.00261 -0.00161 -0.00472 0.00072 76 77 78 79 80 76 3PY 0.08740 77 3PZ -0.00053 0.08364 78 4XX 0.00339 0.00441 0.00161 79 4YY -0.00599 0.00025 -0.00038 0.00123 80 4ZZ 0.00421 -0.00604 -0.00066 -0.00029 0.00156 81 4XY -0.00089 -0.00022 -0.00052 0.00020 0.00031 82 4XZ -0.00077 0.00402 -0.00012 0.00003 0.00001 83 4YZ -0.00035 0.00672 0.00036 0.00016 -0.00052 84 10 H 1S 0.04153 0.02499 0.01312 -0.00579 -0.00705 85 2S 0.03168 0.02286 0.01314 -0.00444 -0.00741 86 11 H 1S 0.04115 -0.11025 -0.00783 -0.00510 0.01314 87 2S 0.03438 -0.09887 -0.00873 -0.00337 0.01364 88 12 C 1S 0.01339 -0.00140 0.00213 -0.00691 0.00191 89 2S -0.04076 0.00467 -0.00499 0.01194 -0.00471 90 2PX 0.01500 -0.00254 0.00014 -0.00050 -0.00083 91 2PY -0.14739 -0.00432 -0.00739 0.00832 -0.00779 92 2PZ 0.00989 -0.00657 -0.00084 -0.00005 -0.00006 93 3S -0.02728 0.00285 -0.00733 0.01334 -0.00345 94 3PX 0.00758 -0.00268 0.00053 -0.00060 -0.00042 95 3PY -0.06679 -0.00693 -0.00364 0.00464 -0.00364 96 3PZ 0.00689 -0.00628 -0.00072 -0.00027 0.00061 97 4XX 0.00364 -0.00072 0.00003 -0.00009 0.00031 98 4YY -0.00464 -0.00028 -0.00009 -0.00007 -0.00023 99 4ZZ 0.00364 0.00062 0.00031 -0.00023 0.00014 100 4XY -0.00026 0.00008 -0.00041 0.00008 0.00029 101 4XZ 0.00122 -0.00054 -0.00002 -0.00008 0.00004 102 4YZ 0.00018 0.00516 0.00030 0.00007 -0.00041 103 13 H 1S 0.01690 0.01671 0.00168 0.00190 -0.00097 104 2S 0.02234 0.02288 0.00396 -0.00145 -0.00102 105 14 H 1S 0.01206 -0.00088 -0.00159 0.00270 0.00160 106 2S 0.01847 -0.00801 -0.00110 -0.00043 0.00324 107 15 C 1S 0.00303 -0.00322 -0.00136 0.00003 0.00050 108 2S -0.00508 0.00393 0.00219 -0.00022 -0.00107 109 2PX 0.01965 -0.00520 -0.00744 0.00284 0.00457 110 2PY -0.00941 0.00967 0.00215 -0.00071 -0.00135 111 2PZ -0.00327 -0.01191 0.00482 -0.00169 -0.00251 112 3S -0.01616 0.01051 0.00463 -0.00125 -0.00270 113 3PX 0.01069 -0.00266 -0.00475 0.00209 0.00276 114 3PY -0.00503 0.00539 0.00286 -0.00033 -0.00257 115 3PZ -0.00600 -0.00719 0.00364 -0.00131 -0.00177 116 4XX -0.00009 -0.00164 0.00008 -0.00006 -0.00011 117 4YY -0.00016 -0.00010 -0.00005 0.00005 0.00000 118 4ZZ 0.00021 0.00151 -0.00011 0.00008 0.00012 119 4XY 0.00030 -0.00096 -0.00002 -0.00005 0.00006 120 4XZ 0.00049 0.00008 -0.00026 0.00009 0.00026 121 4YZ 0.00080 -0.00020 -0.00012 0.00007 0.00005 122 16 H 1S -0.00556 0.01038 -0.00003 0.00008 0.00030 123 2S 0.00098 0.00216 -0.00259 0.00051 0.00254 124 17 C 1S -0.00058 0.00228 -0.00015 0.00001 -0.00016 125 2S -0.00054 -0.00321 0.00025 -0.00008 0.00035 126 2PX 0.00025 0.01258 -0.00239 0.00133 0.00044 127 2PY 0.00522 -0.00323 -0.00105 0.00075 0.00031 128 2PZ -0.00526 -0.01130 0.00074 -0.00048 -0.00004 129 3S 0.00615 -0.01200 0.00063 -0.00002 -0.00020 130 3PX 0.00336 0.01094 -0.00100 0.00067 -0.00017 131 3PY 0.00513 0.00281 0.00021 0.00047 -0.00081 132 3PZ 0.00081 -0.00581 0.00097 -0.00066 -0.00019 133 4XX -0.00024 -0.00021 -0.00006 0.00003 -0.00002 134 4YY -0.00012 -0.00002 0.00007 -0.00001 -0.00003 135 4ZZ 0.00006 0.00076 -0.00007 0.00001 0.00003 136 4XY 0.00104 -0.00008 -0.00035 0.00013 0.00023 137 4XZ -0.00101 0.00045 0.00009 -0.00005 -0.00006 138 4YZ -0.00020 -0.00033 0.00034 -0.00013 -0.00018 139 18 H 1S 0.00016 0.00378 0.00117 -0.00054 -0.00040 140 2S 0.00074 0.00922 0.00199 -0.00065 -0.00129 141 19 O 1S -0.00367 -0.00071 0.00051 -0.00008 -0.00048 142 2S 0.00816 0.00098 -0.00101 0.00029 0.00113 143 2PX -0.01165 -0.01573 0.00387 -0.00161 -0.00363 144 2PY 0.00112 0.00290 -0.00036 -0.00047 -0.00057 145 2PZ 0.00409 0.03341 -0.00241 0.00108 0.00235 146 3S 0.01352 -0.00006 -0.00312 0.00022 0.00269 147 3PX -0.00814 -0.01214 0.00320 -0.00123 -0.00273 148 3PY 0.00040 0.00170 -0.00004 -0.00027 -0.00060 149 3PZ 0.00476 0.02472 -0.00227 0.00116 0.00196 150 4XX -0.00053 0.00058 0.00032 -0.00008 -0.00019 151 4YY -0.00032 -0.00001 0.00003 0.00004 0.00003 152 4ZZ 0.00009 -0.00031 -0.00004 0.00002 -0.00001 153 4XY 0.00069 0.00047 -0.00017 0.00006 0.00016 154 4XZ 0.00013 0.00010 -0.00010 0.00002 0.00010 155 4YZ 0.00010 -0.00133 0.00000 0.00001 -0.00003 156 20 O 1S 0.00169 -0.00039 -0.00013 0.00003 0.00011 157 2S -0.00436 0.00091 0.00034 -0.00012 -0.00034 158 2PX 0.00523 -0.00688 0.00105 -0.00047 -0.00047 159 2PY -0.00815 0.00425 0.00003 -0.00019 -0.00049 160 2PZ 0.00402 0.00184 -0.00118 0.00025 0.00073 161 3S -0.00752 0.00148 0.00070 -0.00016 -0.00058 162 3PX 0.00358 -0.00617 0.00108 -0.00051 -0.00048 163 3PY -0.00664 0.00280 0.00013 -0.00027 -0.00030 164 3PZ 0.00307 0.00230 -0.00099 0.00025 0.00052 165 4XX 0.00025 -0.00035 0.00000 -0.00003 0.00005 166 4YY -0.00046 0.00005 0.00003 -0.00003 -0.00003 167 4ZZ 0.00043 0.00006 0.00003 0.00000 -0.00004 168 4XY 0.00002 -0.00013 0.00007 -0.00004 -0.00004 169 4XZ -0.00030 -0.00008 0.00001 -0.00001 -0.00001 170 4YZ 0.00008 -0.00010 0.00005 -0.00003 -0.00001 171 21 C 1S 0.00091 0.00032 -0.00031 0.00000 0.00011 172 2S -0.00357 -0.00058 0.00073 -0.00023 -0.00036 173 2PX 0.00551 0.00192 -0.00097 0.00021 0.00065 174 2PY -0.00294 0.00001 0.00137 -0.00013 -0.00087 175 2PZ 0.00067 -0.00483 -0.00043 0.00010 0.00016 176 3S -0.00542 -0.00072 0.00106 -0.00024 -0.00076 177 3PX -0.00044 -0.00325 -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 0.00031 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 0.00267 0.00684 -0.00083 0.00030 0.00070 187 2S 0.00669 0.01308 -0.00196 0.00080 0.00139 188 23 H 1S -0.00054 -0.00587 0.00010 -0.00005 -0.00019 189 2S 0.00161 -0.00809 0.00038 -0.00008 -0.00058 81 82 83 84 85 81 4XY 0.00089 82 4XZ 0.00040 0.00065 83 4YZ 0.00001 0.00032 0.00095 84 10 H 1S -0.00989 -0.00627 0.00221 0.21519 85 2S -0.00888 -0.00504 0.00252 0.17214 0.15965 86 11 H 1S 0.00169 -0.00469 -0.01047 -0.02461 -0.05111 87 2S 0.00231 -0.00363 -0.00946 -0.05553 -0.06291 88 12 C 1S -0.00027 -0.00003 -0.00016 0.00849 0.01083 89 2S 0.00034 0.00021 0.00015 -0.02092 -0.02314 90 2PX -0.01106 -0.00041 0.00058 0.02233 0.03250 91 2PY 0.00012 -0.00087 -0.00012 -0.02680 -0.05105 92 2PZ 0.00061 -0.00033 -0.01102 -0.00814 -0.01882 93 3S 0.00013 -0.00018 0.00030 -0.03329 -0.03855 94 3PX -0.00558 -0.00055 0.00002 0.01772 0.02213 95 3PY -0.00026 -0.00122 0.00019 -0.01206 -0.01846 96 3PZ -0.00008 -0.00054 -0.00516 -0.00087 -0.00802 97 4XX 0.00041 -0.00002 -0.00030 -0.00159 -0.00110 98 4YY -0.00008 -0.00008 -0.00007 0.00270 -0.00044 99 4ZZ -0.00029 0.00004 0.00041 0.00161 0.00325 100 4XY 0.00073 0.00033 -0.00011 -0.00756 -0.00705 101 4XZ -0.00033 -0.00005 -0.00025 0.00077 0.00066 102 4YZ -0.00011 0.00025 0.00079 0.00234 0.00265 103 13 H 1S -0.00208 0.00076 0.00760 0.01643 0.02856 104 2S -0.00260 0.00070 0.00746 0.03291 0.04387 105 14 H 1S 0.00756 0.00078 -0.00233 -0.03097 -0.03287 106 2S 0.00705 0.00067 -0.00265 -0.03287 -0.03048 107 15 C 1S 0.00038 0.00042 -0.00008 -0.00569 -0.00774 108 2S -0.00071 -0.00107 0.00035 0.01142 0.01691 109 2PX 0.00066 0.00081 0.00036 -0.02669 -0.06151 110 2PY -0.00040 -0.00036 -0.00022 0.00982 0.01885 111 2PZ -0.00003 0.00008 -0.00084 0.01420 0.03322 112 3S -0.00136 -0.00062 0.00098 0.02482 0.03964 113 3PX 0.00007 0.00061 0.00028 -0.01504 -0.03713 114 3PY -0.00068 -0.00055 0.00030 0.01742 0.02693 115 3PZ -0.00051 -0.00031 -0.00063 0.01523 0.03098 116 4XX 0.00012 0.00013 -0.00010 -0.00108 -0.00018 117 4YY -0.00001 -0.00004 0.00003 0.00009 0.00024 118 4ZZ -0.00004 -0.00001 0.00002 -0.00012 -0.00138 119 4XY -0.00003 -0.00005 -0.00003 0.00011 0.00081 120 4XZ -0.00001 -0.00010 0.00002 -0.00077 -0.00156 121 4YZ 0.00007 0.00011 -0.00001 -0.00087 -0.00221 122 16 H 1S -0.00049 -0.00093 0.00025 0.00330 0.00435 123 2S 0.00004 -0.00077 -0.00041 -0.00996 -0.01571 124 17 C 1S 0.00002 0.00023 0.00005 -0.00017 -0.00101 125 2S 0.00012 -0.00039 -0.00010 -0.00011 0.00165 126 2PX 0.00015 0.00156 0.00041 -0.00824 -0.02948 127 2PY -0.00039 -0.00014 0.00071 -0.00090 -0.00628 128 2PZ -0.00053 -0.00103 -0.00021 0.00462 0.02402 129 3S 0.00068 -0.00133 -0.00091 0.00308 0.00910 130 3PX 0.00054 0.00122 0.00033 -0.00533 -0.02228 131 3PY -0.00060 0.00003 0.00057 0.00560 0.00153 132 3PZ 0.00011 -0.00086 -0.00004 0.00481 0.01617 133 4XX -0.00007 0.00001 -0.00002 -0.00021 0.00068 134 4YY 0.00001 -0.00003 0.00003 0.00033 0.00028 135 4ZZ 0.00004 0.00007 0.00001 -0.00032 -0.00144 136 4XY 0.00004 0.00002 0.00005 -0.00129 -0.00305 137 4XZ 0.00000 0.00002 0.00000 0.00034 0.00062 138 4YZ 0.00001 -0.00002 -0.00007 0.00108 0.00220 139 18 H 1S 0.00033 0.00018 -0.00017 0.00274 0.00043 140 2S -0.00003 0.00047 0.00043 0.00831 0.00476 141 19 O 1S -0.00014 -0.00004 -0.00009 0.00282 0.00487 142 2S 0.00024 -0.00001 0.00023 -0.00546 -0.01002 143 2PX -0.00018 -0.00020 -0.00050 0.01672 0.04162 144 2PY -0.00002 0.00045 0.00027 0.00082 0.00279 145 2PZ -0.00008 0.00013 0.00117 -0.00972 -0.02838 146 3S 0.00112 0.00009 0.00005 -0.02004 -0.02790 147 3PX -0.00027 -0.00016 -0.00031 0.01460 0.03392 148 3PY -0.00008 0.00037 0.00016 0.00185 0.00265 149 3PZ -0.00018 0.00011 0.00101 -0.00719 -0.02418 150 4XX -0.00006 -0.00002 0.00002 0.00151 0.00237 151 4YY -0.00001 -0.00002 0.00002 0.00015 0.00023 152 4ZZ -0.00001 0.00003 0.00001 0.00007 -0.00001 153 4XY 0.00001 0.00001 0.00002 -0.00072 -0.00189 154 4XZ 0.00001 -0.00002 0.00002 -0.00045 -0.00068 155 4YZ 0.00002 0.00000 -0.00003 -0.00006 0.00009 156 20 O 1S 0.00017 -0.00006 -0.00003 -0.00084 -0.00168 157 2S -0.00034 0.00013 -0.00002 0.00221 0.00460 158 2PX 0.00025 -0.00064 -0.00013 0.00346 0.01450 159 2PY -0.00005 0.00020 -0.00009 0.00090 0.00448 160 2PZ 0.00016 0.00038 0.00034 -0.00468 -0.02097 161 3S -0.00126 0.00015 0.00041 0.00626 0.01140 162 3PX 0.00023 -0.00058 -0.00025 0.00396 0.01388 163 3PY -0.00013 0.00013 -0.00005 0.00109 0.00490 164 3PZ 0.00030 0.00046 0.00017 -0.00449 -0.01876 165 4XX 0.00004 -0.00004 -0.00003 -0.00013 0.00012 166 4YY 0.00002 -0.00001 -0.00003 0.00009 0.00034 167 4ZZ 0.00003 0.00002 -0.00004 0.00004 -0.00022 168 4XY 0.00002 -0.00002 -0.00001 0.00016 0.00071 169 4XZ -0.00001 0.00001 -0.00001 0.00004 0.00016 170 4YZ 0.00001 -0.00001 -0.00001 0.00015 -0.00001 171 21 C 1S -0.00001 0.00012 0.00000 -0.00085 -0.00217 172 2S 0.00001 -0.00023 -0.00009 0.00271 0.00712 173 2PX 0.00000 0.00023 0.00020 -0.00322 -0.00980 174 2PY -0.00032 -0.00014 0.00001 0.00622 0.00907 175 2PZ 0.00004 0.00011 -0.00009 -0.00156 -0.00119 176 3S 0.00002 -0.00033 -0.00014 0.00386 0.00946 177 3PX -0.00003 -0.00014 0.00003 0.00003 0.00267 178 3PY -0.00037 -0.00001 0.00000 0.00695 0.01008 179 3PZ -0.00001 0.00010 0.00010 -0.00187 -0.00586 180 4XX 0.00000 0.00003 0.00004 -0.00081 -0.00244 181 4YY -0.00001 -0.00003 -0.00001 0.00063 0.00159 182 4ZZ 0.00001 0.00002 -0.00002 -0.00004 0.00008 183 4XY -0.00002 0.00003 -0.00001 0.00036 0.00069 184 4XZ 0.00001 -0.00001 -0.00004 0.00022 0.00119 185 4YZ 0.00000 -0.00001 0.00003 -0.00038 -0.00057 186 22 H 1S 0.00000 0.00015 0.00026 -0.00321 -0.01108 187 2S 0.00004 0.00051 0.00047 -0.00781 -0.02543 188 23 H 1S 0.00003 0.00000 -0.00018 0.00041 0.00366 189 2S 0.00004 0.00012 -0.00031 0.00113 0.00550 86 87 88 89 90 86 11 H 1S 0.21677 87 2S 0.17930 0.17239 88 12 C 1S 0.00750 0.00828 2.05093 89 2S -0.01927 -0.01896 -0.05356 0.30675 90 2PX -0.00767 -0.02005 0.00216 -0.00247 0.39946 91 2PY -0.02964 -0.05422 0.00197 -0.00049 0.00274 92 2PZ 0.02137 0.03576 0.00106 -0.00015 -0.00826 93 3S -0.02030 -0.01041 -0.18822 0.28345 0.02739 94 3PX -0.00205 -0.00786 -0.00084 -0.00408 0.18487 95 3PY -0.01691 -0.02235 -0.00045 -0.00297 0.00883 96 3PZ 0.01668 0.02284 0.00065 -0.00479 0.00274 97 4XX 0.00167 0.00396 -0.01716 -0.00165 -0.01424 98 4YY 0.00191 -0.00144 -0.01550 -0.00526 0.00118 99 4ZZ -0.00098 -0.00103 -0.01720 -0.00155 0.00942 100 4XY 0.00207 0.00259 -0.00096 0.00184 -0.01374 101 4XZ 0.00076 0.00071 0.00087 -0.00221 0.01147 102 4YZ -0.00760 -0.00746 -0.00108 0.00201 0.00121 103 13 H 1S -0.02802 -0.03300 -0.05232 0.10153 0.05703 104 2S -0.03301 -0.03951 -0.00563 0.02059 0.05732 105 14 H 1S 0.01640 0.03286 -0.05287 0.10266 -0.24469 106 2S 0.02852 0.04380 -0.00681 0.02188 -0.21797 107 15 C 1S 0.00527 0.00153 -0.00111 0.00217 0.00250 108 2S -0.00988 -0.00349 0.00181 -0.00414 -0.00432 109 2PX 0.02033 0.01466 -0.00869 0.01777 0.02088 110 2PY -0.00878 -0.00001 0.00054 -0.00136 0.00079 111 2PZ -0.00529 -0.01674 0.00636 -0.01399 -0.01474 112 3S -0.03047 -0.02128 0.00591 -0.00784 -0.01473 113 3PX 0.00988 0.00873 -0.00659 0.01731 0.01932 114 3PY -0.01591 -0.01603 0.00087 -0.00302 0.00354 115 3PZ -0.00561 -0.00794 0.00573 -0.00704 -0.00955 116 4XX 0.00064 -0.00125 -0.00012 0.00019 0.00068 117 4YY -0.00016 0.00008 0.00005 0.00008 -0.00046 118 4ZZ 0.00013 0.00120 -0.00043 0.00076 0.00081 119 4XY 0.00028 0.00041 0.00017 -0.00072 -0.00117 120 4XZ 0.00112 0.00224 -0.00013 0.00013 0.00000 121 4YZ 0.00061 -0.00075 -0.00020 0.00039 0.00086 122 16 H 1S -0.00266 0.01259 -0.00055 0.00176 0.00018 123 2S 0.01600 0.03127 -0.00210 0.00548 0.00032 124 17 C 1S -0.00089 -0.00225 -0.00252 0.00388 0.00833 125 2S 0.00093 0.00354 0.00480 -0.00791 -0.01839 126 2PX 0.00030 -0.01051 -0.00742 0.02078 0.02875 127 2PY -0.00055 -0.00519 -0.00329 0.00691 0.01257 128 2PZ 0.00171 0.00986 0.00118 -0.00214 -0.00752 129 3S 0.00696 0.00817 0.00752 -0.01863 -0.03653 130 3PX -0.00101 -0.01119 -0.00620 0.00786 0.01115 131 3PY -0.00437 -0.01101 -0.00413 0.00703 0.02235 132 3PZ 0.00150 0.00609 0.00045 -0.01000 -0.01894 133 4XX 0.00022 0.00037 -0.00102 0.00157 0.00369 134 4YY -0.00037 -0.00044 0.00005 -0.00062 -0.00094 135 4ZZ -0.00001 -0.00021 -0.00016 -0.00009 -0.00063 136 4XY 0.00092 0.00096 -0.00019 0.00037 0.00065 137 4XZ -0.00021 -0.00034 -0.00002 0.00007 -0.00012 138 4YZ -0.00054 -0.00087 0.00076 -0.00131 -0.00182 139 18 H 1S -0.00222 -0.00346 0.00421 -0.00921 -0.01301 140 2S -0.00825 -0.01427 0.00015 -0.00448 0.00105 141 19 O 1S -0.00258 -0.00236 0.00015 0.00042 0.00037 142 2S 0.00478 0.00441 -0.00021 -0.00070 -0.00066 143 2PX -0.01275 -0.02354 0.00394 -0.00730 -0.00858 144 2PY -0.00189 -0.00792 0.00083 0.00074 -0.00008 145 2PZ 0.00315 0.02458 -0.00361 0.00760 0.00807 146 3S 0.01923 0.01851 -0.00062 -0.00499 -0.00698 147 3PX -0.01150 -0.01922 0.00366 -0.00589 -0.00780 148 3PY -0.00251 -0.00760 0.00033 0.00159 0.00074 149 3PZ 0.00139 0.01706 -0.00369 0.00831 0.00906 150 4XX -0.00134 -0.00120 0.00027 -0.00037 -0.00026 151 4YY -0.00040 0.00027 0.00008 0.00010 0.00004 152 4ZZ -0.00038 -0.00064 -0.00004 0.00041 0.00041 153 4XY 0.00065 0.00086 -0.00015 0.00024 0.00029 154 4XZ 0.00033 0.00069 -0.00001 -0.00003 0.00002 155 4YZ 0.00017 -0.00077 0.00000 -0.00006 0.00011 156 20 O 1S 0.00093 0.00141 0.00044 -0.00157 -0.00371 157 2S -0.00183 -0.00309 -0.00137 0.00300 0.00679 158 2PX -0.00017 0.00321 0.00296 -0.01008 -0.01532 159 2PY -0.00170 -0.00048 0.00165 0.00188 -0.00018 160 2PZ 0.00091 -0.00475 0.00003 -0.00152 0.00340 161 3S -0.00731 -0.00845 -0.00055 0.01056 0.02856 162 3PX 0.00048 0.00270 0.00206 -0.00959 -0.01532 163 3PY -0.00153 -0.00017 0.00172 0.00106 0.00127 164 3PZ 0.00141 -0.00447 -0.00059 -0.00081 0.00059 165 4XX 0.00042 0.00082 0.00012 -0.00090 -0.00191 166 4YY 0.00010 0.00013 -0.00010 -0.00042 -0.00058 167 4ZZ 0.00013 -0.00029 -0.00034 -0.00011 -0.00008 168 4XY -0.00007 0.00013 0.00009 -0.00065 -0.00087 169 4XZ -0.00006 -0.00020 0.00013 0.00010 0.00037 170 4YZ -0.00006 -0.00020 0.00005 -0.00045 -0.00045 171 21 C 1S 0.00065 0.00001 -0.00054 0.00085 0.00145 172 2S -0.00191 0.00067 0.00146 -0.00316 -0.00494 173 2PX 0.00270 0.00041 -0.00150 0.00258 0.00379 174 2PY -0.00507 -0.00585 -0.00098 0.00132 0.00601 175 2PZ 0.00138 -0.00251 -0.00051 0.00143 0.00241 176 3S -0.00317 -0.00050 0.00214 -0.00368 -0.00726 177 3PX 0.00186 0.00212 0.00085 -0.00243 -0.00254 178 3PY -0.00537 -0.00795 -0.00014 0.00061 0.00593 179 3PZ 0.00104 0.00150 -0.00081 0.00134 0.00148 180 4XX 0.00052 0.00096 -0.00030 0.00069 0.00092 181 4YY -0.00043 -0.00048 0.00022 -0.00059 -0.00083 182 4ZZ 0.00012 -0.00048 -0.00011 0.00020 0.00015 183 4XY -0.00038 -0.00090 0.00013 0.00007 0.00021 184 4XZ -0.00003 -0.00060 0.00006 -0.00001 -0.00004 185 4YZ 0.00021 0.00118 -0.00009 0.00026 -0.00002 186 22 H 1S 0.00165 0.00413 -0.00114 0.00218 0.00313 187 2S 0.00327 0.00565 -0.00345 0.00717 0.01062 188 23 H 1S 0.00037 -0.00304 0.00011 0.00010 -0.00003 189 2S 0.00003 -0.00685 -0.00052 0.00167 0.00245 91 92 93 94 95 91 2PY 0.38112 92 2PZ 0.00398 0.40014 93 3S 0.00449 0.02952 0.31662 94 3PX 0.00135 0.00023 0.01342 0.08894 95 3PY 0.17478 0.00087 0.00454 0.00398 0.08741 96 3PZ 0.00166 0.17903 0.01442 0.00470 0.00054 97 4XX -0.00838 0.01102 0.00061 -0.00655 -0.00340 98 4YY 0.01525 0.00029 -0.00513 0.00060 0.00600 99 4ZZ -0.01005 -0.01441 -0.00144 0.00412 -0.00421 100 4XY -0.00048 0.00100 0.00145 -0.00648 -0.00089 101 4XZ 0.00052 0.00894 -0.00055 0.00512 0.00077 102 4YZ -0.00052 -0.01457 0.00172 0.00046 -0.00033 103 13 H 1S -0.09036 -0.24611 0.07881 0.02313 -0.04108 104 2S -0.07738 -0.22662 -0.00346 0.02451 -0.03432 105 14 H 1S -0.08053 0.06946 0.08698 -0.11387 -0.04157 106 2S -0.06592 0.06406 0.00976 -0.09997 -0.03172 107 15 C 1S 0.00146 0.00247 0.00507 0.00016 0.00059 108 2S -0.00201 -0.00326 -0.00647 0.00019 0.00053 109 2PX 0.00592 0.01050 0.06640 0.00532 -0.00025 110 2PY 0.00077 0.00034 -0.01067 0.00062 0.00521 111 2PZ -0.00442 -0.01053 -0.04807 0.00111 0.00525 112 3S -0.00700 -0.01728 -0.02351 -0.00234 -0.00614 113 3PX 0.00217 0.01183 0.04974 0.00344 -0.00337 114 3PY 0.00162 -0.00357 -0.01821 0.00167 0.00512 115 3PZ -0.00872 -0.00539 -0.03324 -0.00065 -0.00081 116 4XX 0.00028 -0.00014 -0.00132 0.00064 0.00024 117 4YY 0.00026 0.00027 -0.00051 -0.00060 0.00012 118 4ZZ 0.00015 0.00080 0.00260 0.00021 -0.00006 119 4XY 0.00033 0.00008 -0.00093 -0.00002 0.00104 120 4XZ 0.00030 -0.00001 0.00191 0.00029 0.00101 121 4YZ 0.00029 0.00017 0.00113 0.00053 -0.00020 122 16 H 1S -0.00125 0.00334 0.00835 -0.00247 -0.00017 123 2S -0.00297 0.01127 0.02172 -0.00375 -0.00075 124 17 C 1S -0.00134 -0.00374 0.01272 0.00698 -0.00303 125 2S 0.00289 0.00643 -0.02731 -0.01248 0.00508 126 2PX -0.00193 -0.00451 0.02700 0.00066 -0.01966 127 2PY -0.00483 -0.00858 0.02356 0.00633 -0.00940 128 2PZ -0.00437 -0.00897 -0.01479 -0.00749 0.00328 129 3S 0.00835 0.02680 -0.03284 -0.01726 0.01615 130 3PX 0.00189 -0.00121 0.01694 -0.00040 -0.01069 131 3PY -0.00382 -0.01032 0.01115 0.00820 -0.00503 132 3PZ -0.00286 -0.00720 -0.01682 -0.00773 0.00600 133 4XX -0.00007 -0.00053 0.00053 0.00120 0.00009 134 4YY 0.00025 -0.00026 0.00010 0.00021 0.00016 135 4ZZ 0.00044 0.00031 0.00097 -0.00054 -0.00022 136 4XY 0.00021 0.00053 0.00252 0.00016 0.00030 137 4XZ -0.00013 -0.00085 -0.00241 -0.00067 -0.00049 138 4YZ -0.00009 0.00048 -0.00406 -0.00018 0.00080 139 18 H 1S 0.00258 0.00494 -0.02193 -0.00375 0.00555 140 2S -0.00321 -0.01332 -0.01603 0.00225 -0.00099 141 19 O 1S -0.00041 -0.00059 -0.00489 -0.00123 -0.00170 142 2S 0.00025 0.00108 0.01225 0.00373 0.00437 143 2PX -0.00459 -0.00520 -0.03590 -0.00293 -0.00521 144 2PY -0.00242 -0.00214 -0.01184 -0.00707 -0.00814 145 2PZ 0.00167 0.00526 0.03074 -0.00086 -0.00402 146 3S 0.00507 0.00338 0.01359 0.00142 0.00754 147 3PX -0.00547 -0.00518 -0.02873 -0.00210 -0.00357 148 3PY -0.00191 -0.00125 -0.00688 -0.00480 -0.00663 149 3PZ 0.00125 0.00448 0.03048 0.00029 -0.00307 150 4XX -0.00051 -0.00048 -0.00159 0.00004 -0.00025 151 4YY -0.00005 -0.00014 0.00021 0.00025 0.00046 152 4ZZ -0.00037 0.00005 0.00074 -0.00005 -0.00043 153 4XY 0.00001 0.00011 0.00152 0.00009 0.00002 154 4XZ 0.00013 -0.00009 0.00053 0.00008 0.00030 155 4YZ 0.00004 -0.00009 -0.00006 0.00024 0.00008 156 20 O 1S 0.00109 0.00111 -0.00155 -0.00042 0.00367 157 2S -0.00234 -0.00124 -0.00300 -0.00191 -0.00816 158 2PX 0.00093 0.00048 -0.01342 0.00448 0.01167 159 2PY 0.00206 -0.00204 -0.03550 -0.01304 0.00111 160 2PZ 0.00211 0.00841 0.03274 0.00614 -0.00409 161 3S -0.00687 -0.01186 0.01110 0.01175 -0.01352 162 3PX -0.00032 0.00167 -0.01574 -0.00003 0.00815 163 3PY 0.00054 -0.00237 -0.02546 -0.00761 0.00039 164 3PZ 0.00217 0.00829 0.02359 0.00190 -0.00476 165 4XX 0.00015 0.00081 -0.00072 -0.00083 0.00053 166 4YY 0.00020 0.00036 -0.00274 -0.00091 0.00032 167 4ZZ -0.00015 0.00070 -0.00033 -0.00005 -0.00009 168 4XY 0.00031 0.00007 -0.00087 0.00015 0.00069 169 4XZ -0.00003 -0.00006 -0.00093 -0.00011 -0.00013 170 4YZ 0.00006 0.00042 0.00078 0.00027 0.00010 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 -0.00212 -0.00053 0.01698 0.00153 -0.00550 174 2PY -0.00249 -0.00262 0.00750 0.00584 -0.00294 175 2PZ -0.00040 -0.00198 0.00016 0.00061 -0.00067 176 3S 0.00447 -0.00090 -0.01288 -0.00265 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 -0.00002 0.00105 0.00580 -0.00013 -0.00114 180 4XX 0.00011 0.00026 0.00219 -0.00009 -0.00032 181 4YY -0.00006 -0.00003 -0.00107 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 0.00017 0.00208 0.01395 0.00033 -0.00268 187 2S -0.00033 0.00672 0.03204 0.00213 -0.00669 188 23 H 1S -0.00019 -0.00255 -0.00593 -0.00051 0.00054 189 2S -0.00261 -0.00162 -0.00471 0.00074 -0.00161 96 97 98 99 100 96 3PZ 0.08364 97 4XX 0.00440 0.00161 98 4YY 0.00026 -0.00038 0.00123 99 4ZZ -0.00604 -0.00066 -0.00029 0.00156 100 4XY 0.00022 0.00053 -0.00020 -0.00031 0.00089 101 4XZ 0.00403 -0.00012 0.00003 0.00001 -0.00040 102 4YZ -0.00671 -0.00036 -0.00016 0.00052 0.00001 103 13 H 1S -0.11027 -0.00782 -0.00512 0.01315 -0.00170 104 2S -0.09888 -0.00873 -0.00338 0.01365 -0.00232 105 14 H 1S 0.02491 0.01312 -0.00578 -0.00706 0.00990 106 2S 0.02279 0.01314 -0.00444 -0.00742 0.00889 107 15 C 1S 0.00228 -0.00016 0.00001 -0.00016 -0.00002 108 2S -0.00320 0.00025 -0.00008 0.00035 -0.00012 109 2PX 0.01255 -0.00239 0.00133 0.00044 -0.00015 110 2PY 0.00324 0.00105 -0.00075 -0.00031 -0.00039 111 2PZ -0.01129 0.00074 -0.00048 -0.00004 0.00053 112 3S -0.01199 0.00063 -0.00002 -0.00020 -0.00068 113 3PX 0.01093 -0.00100 0.00068 -0.00017 -0.00054 114 3PY -0.00280 -0.00021 -0.00047 0.00081 -0.00060 115 3PZ -0.00580 0.00096 -0.00066 -0.00019 -0.00010 116 4XX -0.00021 -0.00006 0.00003 -0.00002 0.00007 117 4YY -0.00002 0.00007 -0.00001 -0.00004 -0.00001 118 4ZZ 0.00076 -0.00007 0.00001 0.00003 -0.00004 119 4XY 0.00008 0.00035 -0.00013 -0.00023 0.00004 120 4XZ 0.00045 0.00009 -0.00005 -0.00006 0.00000 121 4YZ 0.00033 -0.00034 0.00013 0.00018 0.00001 122 16 H 1S 0.00378 0.00117 -0.00054 -0.00040 -0.00033 123 2S 0.00921 0.00199 -0.00065 -0.00129 0.00003 124 17 C 1S -0.00322 -0.00136 0.00003 0.00050 -0.00038 125 2S 0.00394 0.00219 -0.00022 -0.00107 0.00071 126 2PX -0.00523 -0.00744 0.00283 0.00457 -0.00066 127 2PY -0.00969 -0.00215 0.00071 0.00135 -0.00040 128 2PZ -0.01192 0.00482 -0.00169 -0.00251 0.00003 129 3S 0.01053 0.00464 -0.00125 -0.00270 0.00136 130 3PX -0.00267 -0.00474 0.00209 0.00276 -0.00007 131 3PY -0.00539 -0.00286 0.00033 0.00257 -0.00068 132 3PZ -0.00718 0.00364 -0.00131 -0.00178 0.00051 133 4XX -0.00164 0.00008 -0.00006 -0.00011 -0.00012 134 4YY -0.00010 -0.00005 0.00005 0.00000 0.00001 135 4ZZ 0.00151 -0.00012 0.00008 0.00012 0.00004 136 4XY 0.00096 0.00002 0.00005 -0.00006 -0.00003 137 4XZ 0.00008 -0.00026 0.00009 0.00026 0.00001 138 4YZ 0.00020 0.00012 -0.00007 -0.00005 0.00007 139 18 H 1S 0.01039 -0.00003 0.00008 0.00030 0.00049 140 2S 0.00217 -0.00259 0.00051 0.00255 -0.00004 141 19 O 1S -0.00039 -0.00012 0.00003 0.00011 -0.00017 142 2S 0.00091 0.00034 -0.00012 -0.00034 0.00034 143 2PX -0.00686 0.00105 -0.00047 -0.00047 -0.00025 144 2PY -0.00426 -0.00003 0.00019 0.00049 -0.00005 145 2PZ 0.00183 -0.00118 0.00025 0.00073 -0.00016 146 3S 0.00147 0.00070 -0.00016 -0.00058 0.00126 147 3PX -0.00616 0.00108 -0.00051 -0.00048 -0.00023 148 3PY -0.00281 -0.00013 0.00027 0.00030 -0.00013 149 3PZ 0.00229 -0.00099 0.00025 0.00052 -0.00030 150 4XX -0.00035 0.00000 -0.00003 0.00005 -0.00004 151 4YY 0.00005 0.00003 -0.00003 -0.00003 -0.00002 152 4ZZ 0.00006 0.00003 0.00000 -0.00004 -0.00003 153 4XY 0.00013 -0.00007 0.00004 0.00004 0.00002 154 4XZ -0.00008 0.00001 -0.00001 -0.00001 0.00001 155 4YZ 0.00010 -0.00005 0.00003 0.00001 0.00001 156 20 O 1S -0.00071 0.00051 -0.00008 -0.00048 0.00014 157 2S 0.00097 -0.00101 0.00029 0.00113 -0.00024 158 2PX -0.01571 0.00387 -0.00161 -0.00363 0.00018 159 2PY -0.00289 0.00036 0.00047 0.00057 -0.00002 160 2PZ 0.03341 -0.00241 0.00108 0.00235 0.00008 161 3S -0.00008 -0.00312 0.00022 0.00269 -0.00112 162 3PX -0.01213 0.00320 -0.00123 -0.00273 0.00027 163 3PY -0.00169 0.00004 0.00027 0.00060 -0.00008 164 3PZ 0.02472 -0.00227 0.00116 0.00196 0.00018 165 4XX 0.00058 0.00032 -0.00008 -0.00019 0.00006 166 4YY -0.00001 0.00003 0.00004 0.00003 0.00001 167 4ZZ -0.00031 -0.00004 0.00002 -0.00001 0.00001 168 4XY -0.00047 0.00017 -0.00006 -0.00016 0.00001 169 4XZ 0.00010 -0.00010 0.00002 0.00010 -0.00001 170 4YZ 0.00133 0.00000 -0.00001 0.00003 0.00002 171 21 C 1S 0.00031 -0.00031 0.00000 0.00011 0.00001 172 2S -0.00057 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 -0.00484 -0.00043 0.00010 0.00016 -0.00004 176 3S -0.00071 0.00106 -0.00024 -0.00076 -0.00002 177 3PX -0.00326 -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 0.00684 -0.00083 0.00030 0.00070 0.00000 187 2S 0.01307 -0.00196 0.00080 0.00139 -0.00004 188 23 H 1S -0.00588 0.00010 -0.00005 -0.00019 -0.00003 189 2S -0.00809 0.00038 -0.00008 -0.00058 -0.00004 101 102 103 104 105 101 4XZ 0.00065 102 4YZ -0.00032 0.00095 103 13 H 1S -0.00471 0.01046 0.21677 104 2S -0.00365 0.00945 0.17931 0.17242 105 14 H 1S -0.00625 -0.00220 -0.02461 -0.05553 0.21519 106 2S -0.00502 -0.00252 -0.05111 -0.06291 0.17214 107 15 C 1S 0.00023 -0.00005 -0.00089 -0.00225 -0.00017 108 2S -0.00039 0.00009 0.00093 0.00354 -0.00010 109 2PX 0.00156 -0.00041 0.00031 -0.01051 -0.00825 110 2PY 0.00014 0.00071 0.00055 0.00519 0.00090 111 2PZ -0.00103 0.00021 0.00171 0.00986 0.00462 112 3S -0.00133 0.00091 0.00693 0.00815 0.00310 113 3PX 0.00122 -0.00033 -0.00100 -0.01119 -0.00534 114 3PY -0.00003 0.00057 0.00437 0.01101 -0.00559 115 3PZ -0.00087 0.00004 0.00150 0.00610 0.00481 116 4XX 0.00001 0.00002 0.00022 0.00037 -0.00021 117 4YY -0.00003 -0.00003 -0.00038 -0.00044 0.00033 118 4ZZ 0.00007 -0.00001 -0.00001 -0.00021 -0.00032 119 4XY -0.00002 0.00005 -0.00092 -0.00096 0.00128 120 4XZ 0.00002 0.00000 -0.00020 -0.00034 0.00034 121 4YZ 0.00001 -0.00007 0.00054 0.00087 -0.00108 122 16 H 1S 0.00018 0.00017 -0.00222 -0.00346 0.00274 123 2S 0.00048 -0.00043 -0.00824 -0.01426 0.00829 124 17 C 1S 0.00042 0.00007 0.00527 0.00154 -0.00569 125 2S -0.00107 -0.00035 -0.00989 -0.00351 0.01142 126 2PX 0.00080 -0.00036 0.02035 0.01469 -0.02670 127 2PY 0.00036 -0.00022 0.00879 0.00001 -0.00982 128 2PZ 0.00008 0.00084 -0.00529 -0.01676 0.01420 129 3S -0.00062 -0.00098 -0.03050 -0.02131 0.02484 130 3PX 0.00061 -0.00028 0.00988 0.00873 -0.01504 131 3PY 0.00055 0.00030 0.01593 0.01604 -0.01742 132 3PZ -0.00031 0.00062 -0.00563 -0.00797 0.01524 133 4XX 0.00013 0.00010 0.00064 -0.00125 -0.00108 134 4YY -0.00004 -0.00003 -0.00016 0.00008 0.00009 135 4ZZ -0.00001 -0.00002 0.00013 0.00120 -0.00012 136 4XY 0.00005 -0.00003 -0.00028 -0.00041 -0.00011 137 4XZ -0.00010 -0.00002 0.00112 0.00224 -0.00077 138 4YZ -0.00011 -0.00001 -0.00061 0.00075 0.00087 139 18 H 1S -0.00093 -0.00025 -0.00266 0.01260 0.00330 140 2S -0.00077 0.00041 0.01601 0.03129 -0.00995 141 19 O 1S -0.00006 0.00003 0.00093 0.00142 -0.00084 142 2S 0.00013 0.00002 -0.00183 -0.00310 0.00221 143 2PX -0.00064 0.00013 -0.00018 0.00322 0.00346 144 2PY -0.00020 -0.00009 0.00170 0.00048 -0.00090 145 2PZ 0.00038 -0.00034 0.00091 -0.00476 -0.00468 146 3S 0.00016 -0.00041 -0.00731 -0.00846 0.00626 147 3PX -0.00058 0.00025 0.00047 0.00270 0.00396 148 3PY -0.00013 -0.00005 0.00153 0.00017 -0.00110 149 3PZ 0.00046 -0.00017 0.00140 -0.00447 -0.00448 150 4XX -0.00004 0.00003 0.00042 0.00082 -0.00013 151 4YY -0.00001 0.00003 0.00010 0.00013 0.00009 152 4ZZ 0.00002 0.00004 0.00013 -0.00029 0.00004 153 4XY 0.00002 -0.00001 0.00007 -0.00013 -0.00016 154 4XZ 0.00001 0.00001 -0.00006 -0.00020 0.00004 155 4YZ 0.00001 -0.00001 0.00006 0.00020 -0.00015 156 20 O 1S -0.00004 0.00009 -0.00258 -0.00236 0.00282 157 2S -0.00002 -0.00023 0.00478 0.00441 -0.00546 158 2PX -0.00019 0.00050 -0.01276 -0.02356 0.01672 159 2PY -0.00045 0.00027 0.00189 0.00792 -0.00082 160 2PZ 0.00013 -0.00117 0.00315 0.02460 -0.00972 161 3S 0.00008 -0.00005 0.01926 0.01854 -0.02005 162 3PX -0.00015 0.00031 -0.01152 -0.01924 0.01461 163 3PY -0.00037 0.00016 0.00251 0.00760 -0.00186 164 3PZ 0.00011 -0.00101 0.00139 0.01707 -0.00719 165 4XX -0.00002 -0.00002 -0.00134 -0.00120 0.00151 166 4YY -0.00002 -0.00002 -0.00040 0.00027 0.00015 167 4ZZ 0.00003 -0.00001 -0.00038 -0.00064 0.00007 168 4XY -0.00001 0.00002 -0.00065 -0.00086 0.00072 169 4XZ -0.00002 -0.00002 0.00033 0.00069 -0.00045 170 4YZ 0.00000 -0.00003 -0.00017 0.00077 0.00006 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 -0.00323 174 2PY 0.00014 0.00001 0.00507 0.00586 -0.00622 175 2PZ 0.00011 0.00009 0.00138 -0.00251 -0.00156 176 3S -0.00033 0.00014 -0.00318 -0.00051 0.00387 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 0.00103 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 0.00015 -0.00026 0.00165 0.00413 -0.00322 187 2S 0.00051 -0.00047 0.00327 0.00566 -0.00781 188 23 H 1S 0.00000 0.00018 0.00038 -0.00304 0.00041 189 2S 0.00012 0.00031 0.00003 -0.00685 0.00113 106 107 108 109 110 106 2S 0.15964 107 15 C 1S -0.00101 2.05261 108 2S 0.00166 -0.06334 0.33256 109 2PX -0.02950 0.01176 -0.01998 0.35371 110 2PY 0.00628 0.00634 -0.01501 -0.03631 0.42804 111 2PZ 0.02402 0.01404 -0.02170 -0.01905 -0.02886 112 3S 0.00912 -0.17198 0.27273 -0.08759 0.01080 113 3PX -0.02229 0.02120 -0.04292 0.18177 -0.03495 114 3PY -0.00151 0.00658 -0.00326 -0.04956 0.11867 115 3PZ 0.01616 0.00674 -0.02185 -0.07208 0.00936 116 4XX 0.00068 -0.01239 -0.01159 0.01053 0.00768 117 4YY 0.00028 -0.01714 -0.00125 -0.00615 -0.01253 118 4ZZ -0.00144 -0.01510 -0.00556 -0.00141 0.01278 119 4XY 0.00305 0.00069 -0.00120 0.00172 0.00375 120 4XZ 0.00062 -0.00382 0.00899 0.00965 0.01029 121 4YZ -0.00220 0.00389 -0.00798 0.01323 -0.00743 122 16 H 1S 0.00043 -0.06712 0.13219 -0.07498 0.16955 123 2S 0.00473 -0.01673 0.03914 -0.03836 0.14223 124 17 C 1S -0.00774 0.01932 -0.04074 0.01093 0.08149 125 2S 0.01691 -0.04074 0.07597 -0.02248 -0.16744 126 2PX -0.06151 0.01094 -0.02250 0.16290 -0.01403 127 2PY -0.01884 -0.08149 0.16745 0.01403 -0.32253 128 2PZ 0.03321 -0.00945 0.01921 -0.10688 0.03106 129 3S 0.03966 0.00368 0.02478 -0.04729 -0.13773 130 3PX -0.03712 0.00177 -0.00269 0.10791 -0.01351 131 3PY -0.02692 -0.00213 0.01919 0.01647 -0.09538 132 3PZ 0.03099 -0.00504 0.01675 -0.06605 0.03742 133 4XX -0.00018 0.00306 -0.00698 -0.00153 0.01249 134 4YY 0.00024 -0.00652 0.01196 0.00050 -0.00768 135 4ZZ -0.00138 0.00376 -0.00871 0.00354 0.01074 136 4XY -0.00081 0.00011 -0.00072 0.01305 -0.00508 137 4XZ -0.00156 0.00126 -0.00299 -0.00134 0.00510 138 4YZ 0.00221 0.00094 -0.00176 -0.00411 -0.00039 139 18 H 1S 0.00435 0.01685 -0.03778 0.01256 0.04264 140 2S -0.01571 0.02111 -0.04292 0.02474 0.07153 141 19 O 1S -0.00167 0.00575 -0.00817 -0.02660 -0.00953 142 2S 0.00459 -0.01014 0.01260 0.06256 0.03256 143 2PX 0.01452 0.05526 -0.11975 -0.16221 -0.10597 144 2PY -0.00447 0.02650 -0.05515 -0.08203 -0.03448 145 2PZ -0.02098 0.03853 -0.07483 -0.18834 -0.07734 146 3S 0.01139 0.00859 -0.01458 0.03693 -0.02899 147 3PX 0.01389 0.02443 -0.05740 -0.09467 -0.05564 148 3PY -0.00490 0.02159 -0.04412 -0.05067 -0.03050 149 3PZ -0.01877 0.01944 -0.03655 -0.09278 -0.04358 150 4XX 0.00012 -0.00264 0.00397 -0.00732 0.00643 151 4YY 0.00034 -0.00114 0.00122 0.00361 0.00068 152 4ZZ -0.00022 -0.00133 0.00154 0.00646 0.00547 153 4XY -0.00071 -0.00424 0.00849 0.00830 -0.00376 154 4XZ 0.00016 -0.00528 0.00877 0.00426 0.00366 155 4YZ 0.00001 -0.00346 0.00613 0.01220 -0.00314 156 20 O 1S 0.00487 -0.00167 0.00506 0.00606 -0.00187 157 2S -0.01001 0.00707 -0.01595 -0.01455 0.01745 158 2PX 0.04162 -0.00948 0.02371 -0.05405 -0.04110 159 2PY -0.00280 0.02371 -0.05641 -0.02194 0.05731 160 2PZ -0.02837 0.00043 -0.00376 0.05069 -0.04294 161 3S -0.02791 -0.00449 -0.00280 -0.04408 -0.02610 162 3PX 0.03393 -0.00713 0.01771 -0.04782 -0.02586 163 3PY -0.00266 0.01439 -0.03755 -0.02402 0.04144 164 3PZ -0.02417 0.00259 -0.00727 0.05534 -0.03222 165 4XX 0.00237 0.00035 -0.00011 -0.00296 0.00359 166 4YY 0.00023 0.00145 -0.00240 -0.00041 0.00269 167 4ZZ -0.00001 0.00100 -0.00105 0.00402 0.00273 168 4XY 0.00189 0.00095 -0.00216 -0.00302 0.00611 169 4XZ -0.00068 -0.00014 0.00039 0.00122 -0.00119 170 4YZ -0.00009 0.00075 -0.00153 -0.00079 0.00423 171 21 C 1S -0.00217 -0.00314 0.00638 0.01152 -0.00990 172 2S 0.00712 0.00673 -0.01754 -0.03150 0.03286 173 2PX -0.00980 -0.01268 0.03068 0.02354 -0.02099 174 2PY -0.00907 0.00315 -0.00785 -0.03051 -0.02359 175 2PZ -0.00118 -0.00739 0.01915 0.02702 -0.00821 176 3S 0.00946 0.01015 -0.01295 -0.04935 0.04941 177 3PX 0.00267 -0.01056 0.01965 -0.00272 -0.01597 178 3PY -0.01008 0.00295 -0.00741 -0.03169 -0.00309 179 3PZ -0.00586 -0.00561 0.00943 0.01389 -0.00428 180 4XX -0.00244 -0.00080 0.00210 0.00733 0.00190 181 4YY 0.00159 0.00216 -0.00472 -0.00926 -0.00494 182 4ZZ 0.00007 -0.00173 0.00371 0.00745 0.00112 183 4XY -0.00069 0.00068 -0.00166 -0.00086 0.00201 184 4XZ 0.00119 -0.00080 0.00197 0.00588 -0.00055 185 4YZ 0.00057 0.00033 -0.00055 -0.00624 0.00076 186 22 H 1S -0.01109 -0.00128 0.00252 0.00527 0.00494 187 2S -0.02544 0.00094 -0.00187 0.03559 -0.00678 188 23 H 1S 0.00366 -0.00640 0.01540 0.02376 0.00702 189 2S 0.00550 -0.00610 0.01493 0.04141 -0.00541 111 112 113 114 115 111 2PZ 0.37250 112 3S -0.02658 0.29973 113 3PX -0.08694 -0.06708 0.12473 114 3PY 0.01997 -0.00401 -0.03311 0.05431 115 3PZ 0.15203 0.00052 -0.06146 0.02263 0.08173 116 4XX 0.01098 -0.00903 0.00247 0.00219 0.00350 117 4YY -0.00529 -0.00021 0.00008 -0.00157 -0.00049 118 4ZZ -0.00455 -0.00500 -0.00044 0.00161 -0.00234 119 4XY 0.01206 -0.00208 -0.00129 0.00261 0.00470 120 4XZ 0.00675 0.00357 0.00042 0.00122 -0.00012 121 4YZ 0.00864 -0.01236 0.00582 -0.00152 0.00033 122 16 H 1S -0.18399 0.13427 -0.02269 0.03639 -0.06121 123 2S -0.16123 0.04264 0.00484 0.02193 -0.05495 124 17 C 1S -0.00946 0.00367 0.00176 0.00213 -0.00505 125 2S 0.01925 0.02478 -0.00269 -0.01918 0.01675 126 2PX -0.10689 -0.04729 0.10791 -0.01647 -0.06605 127 2PY -0.03098 0.13773 0.01351 -0.09538 -0.03740 128 2PZ 0.12972 0.06412 -0.06752 0.01936 0.08652 129 3S 0.06415 -0.03679 -0.02456 0.00690 0.03436 130 3PX -0.06752 -0.02455 0.06258 -0.01792 -0.05315 131 3PY -0.01933 -0.00689 0.01791 -0.01861 -0.01741 132 3PZ 0.08653 0.03436 -0.05315 0.01742 0.04910 133 4XX 0.00060 -0.00353 -0.00135 0.00402 0.00175 134 4YY 0.00132 0.01095 -0.00199 -0.00317 -0.00132 135 4ZZ -0.00492 -0.00908 0.00425 0.00188 -0.00197 136 4XY -0.00442 -0.00647 0.00819 -0.00235 -0.00436 137 4XZ 0.00098 -0.00359 0.00003 0.00294 0.00229 138 4YZ 0.01358 -0.00473 -0.00509 0.00303 0.00620 139 18 H 1S -0.00218 -0.07011 0.00642 0.02494 -0.00021 140 2S 0.00607 -0.06764 0.00799 0.02647 -0.00148 141 19 O 1S -0.02435 0.03492 0.00475 -0.01020 0.00953 142 2S 0.05494 -0.08914 -0.01373 0.02120 -0.02438 143 2PX -0.18092 -0.03541 -0.03147 -0.01152 -0.03242 144 2PY -0.07954 -0.06762 0.02142 0.04807 -0.00630 145 2PZ -0.08632 -0.08962 -0.07250 -0.03329 -0.03091 146 3S 0.05864 -0.13468 -0.02484 0.01206 -0.02986 147 3PX -0.08461 -0.00259 -0.02167 0.00067 -0.00692 148 3PY -0.06484 -0.05258 0.01951 0.02862 -0.00931 149 3PZ -0.06401 -0.05650 -0.03125 -0.02424 -0.02963 150 4XX 0.00497 0.00520 -0.00493 0.00303 0.00340 151 4YY 0.00434 0.00234 -0.00108 -0.00265 0.00113 152 4ZZ -0.00851 0.00369 0.00568 0.00102 -0.00309 153 4XY 0.00942 0.00425 0.00179 -0.00214 0.00152 154 4XZ 0.00103 0.00578 0.00025 0.00086 -0.00111 155 4YZ 0.00307 0.00522 0.00470 -0.00169 -0.00029 156 20 O 1S 0.00720 -0.02204 -0.00010 0.00839 -0.00190 157 2S -0.01528 0.04462 0.00142 -0.01356 0.00722 158 2PX 0.03138 0.03899 -0.06130 -0.00425 0.00346 159 2PY -0.01760 -0.12848 0.02258 0.07206 0.02405 160 2PZ -0.05473 -0.01851 0.06051 -0.04182 -0.03840 161 3S -0.04176 0.08731 -0.00886 -0.03795 -0.00347 162 3PX 0.03641 0.03135 -0.05162 0.00044 0.01115 163 3PY -0.00844 -0.08186 0.00998 0.05020 0.01957 164 3PZ -0.04923 -0.02231 0.05505 -0.03132 -0.03402 165 4XX 0.00422 0.00069 -0.00177 0.00133 0.00260 166 4YY 0.00111 -0.00732 0.00045 0.00374 0.00171 167 4ZZ -0.00165 -0.00196 0.00144 0.00125 -0.00161 168 4XY 0.00029 0.00006 -0.00314 0.00169 0.00009 169 4XZ 0.00038 0.00026 0.00114 0.00043 0.00069 170 4YZ 0.00014 0.00025 -0.00006 -0.00031 -0.00022 171 21 C 1S 0.00088 0.00659 0.00869 -0.00707 -0.00109 172 2S 0.00092 -0.00918 -0.01919 0.01699 0.00906 173 2PX 0.02323 0.04600 0.02153 -0.00387 0.00787 174 2PY -0.03727 0.01697 -0.02818 -0.02954 -0.02186 175 2PZ -0.00102 0.03497 0.02188 0.00445 -0.00484 176 3S -0.00081 0.00519 -0.02303 0.02300 0.01582 177 3PX 0.03444 0.02793 -0.00700 0.00175 0.01561 178 3PY -0.02777 0.00490 -0.01051 0.00031 -0.00461 179 3PZ -0.00633 0.00687 0.01224 -0.00257 -0.00742 180 4XX 0.00471 -0.00284 0.00316 -0.00097 0.00061 181 4YY -0.00647 -0.00306 -0.00456 -0.00140 -0.00241 182 4ZZ 0.00216 0.00512 0.00388 0.00126 0.00065 183 4XY -0.00227 -0.00068 0.00386 0.00347 0.00208 184 4XZ 0.00268 0.00163 0.00126 0.00086 0.00070 185 4YZ 0.00037 -0.00114 -0.00306 0.00150 0.00113 186 22 H 1S 0.00591 -0.00400 0.00739 -0.00320 0.00178 187 2S -0.02527 -0.02480 0.03244 -0.01792 -0.02141 188 23 H 1S 0.01455 0.03113 0.01289 0.01181 0.00640 189 2S 0.01429 0.02963 0.01983 0.00734 0.00350 116 117 118 119 120 116 4XX 0.00257 117 4YY -0.00066 0.00122 118 4ZZ -0.00051 -0.00036 0.00177 119 4XY 0.00076 -0.00008 -0.00055 0.00157 120 4XZ 0.00029 -0.00086 0.00049 0.00038 0.00159 121 4YZ 0.00050 -0.00003 0.00000 0.00056 0.00008 122 16 H 1S -0.00934 -0.00167 0.00676 -0.00634 0.00355 123 2S -0.00724 -0.00147 0.00845 -0.00604 0.00266 124 17 C 1S 0.00306 -0.00652 0.00376 -0.00011 0.00126 125 2S -0.00698 0.01196 -0.00871 0.00072 -0.00299 126 2PX -0.00153 0.00050 0.00354 -0.01305 -0.00134 127 2PY -0.01249 0.00768 -0.01074 -0.00508 -0.00510 128 2PZ 0.00060 0.00131 -0.00492 0.00442 0.00098 129 3S -0.00353 0.01095 -0.00908 0.00648 -0.00359 130 3PX -0.00135 -0.00199 0.00425 -0.00819 0.00003 131 3PY -0.00402 0.00317 -0.00188 -0.00235 -0.00294 132 3PZ 0.00175 -0.00133 -0.00196 0.00436 0.00229 133 4XX 0.00068 -0.00030 0.00019 -0.00013 0.00006 134 4YY -0.00030 -0.00012 -0.00031 0.00009 0.00025 135 4ZZ 0.00019 -0.00030 0.00079 0.00000 0.00011 136 4XY 0.00013 -0.00009 0.00000 0.00003 0.00031 137 4XZ 0.00006 0.00025 0.00011 -0.00031 0.00001 138 4YZ 0.00048 -0.00008 -0.00019 0.00058 0.00019 139 18 H 1S 0.00263 0.00051 0.00228 0.00243 0.00114 140 2S 0.00349 -0.00295 0.00487 0.00041 0.00216 141 19 O 1S -0.00322 0.00182 -0.00090 -0.00470 -0.00505 142 2S 0.00839 -0.00408 0.00234 0.01079 0.01161 143 2PX 0.00944 0.00918 -0.01398 -0.00449 -0.02005 144 2PY -0.01047 0.01654 -0.00638 0.01261 -0.01476 145 2PZ -0.02940 0.00565 0.02477 -0.01652 -0.00339 146 3S 0.00468 -0.00024 0.00266 0.01469 0.00972 147 3PX 0.00783 0.00557 -0.01124 0.00028 -0.01187 148 3PY -0.00632 0.01096 -0.00436 0.00710 -0.01042 149 3PZ -0.02040 0.00316 0.01746 -0.01091 -0.00064 150 4XX -0.00032 -0.00004 0.00019 0.00022 0.00006 151 4YY 0.00061 -0.00085 0.00032 -0.00094 0.00074 152 4ZZ 0.00039 0.00003 -0.00048 0.00014 -0.00023 153 4XY -0.00057 -0.00024 0.00030 0.00006 0.00079 154 4XZ -0.00006 -0.00022 0.00002 0.00024 0.00065 155 4YZ 0.00114 -0.00030 -0.00107 0.00033 0.00029 156 20 O 1S 0.00001 -0.00112 -0.00027 0.00006 0.00024 157 2S 0.00037 0.00166 0.00067 0.00010 -0.00049 158 2PX 0.00316 -0.00309 -0.00289 0.00582 0.00024 159 2PY -0.00010 0.00537 -0.00048 -0.00300 -0.00140 160 2PZ -0.00257 -0.00238 0.00310 0.00420 0.00091 161 3S -0.00165 0.00285 -0.00035 0.00067 -0.00291 162 3PX 0.00260 -0.00146 -0.00278 0.00413 0.00006 163 3PY -0.00019 0.00403 -0.00065 -0.00134 -0.00124 164 3PZ -0.00153 -0.00135 0.00229 0.00166 0.00036 165 4XX -0.00003 0.00007 -0.00004 0.00054 0.00008 166 4YY 0.00023 0.00005 -0.00002 -0.00036 0.00014 167 4ZZ 0.00020 -0.00008 0.00005 -0.00011 -0.00004 168 4XY 0.00042 -0.00039 0.00016 0.00033 0.00011 169 4XZ -0.00002 0.00029 -0.00022 0.00000 -0.00009 170 4YZ 0.00011 -0.00036 0.00031 0.00040 0.00015 171 21 C 1S -0.00090 0.00096 -0.00057 0.00137 0.00004 172 2S 0.00265 -0.00239 0.00111 -0.00301 0.00068 173 2PX -0.00613 0.00375 -0.00264 0.00532 -0.00384 174 2PY 0.00294 -0.00284 0.00156 -0.00802 -0.00057 175 2PZ -0.00296 0.00195 -0.00165 0.00252 -0.00166 176 3S 0.00059 -0.00173 0.00098 -0.00263 -0.00112 177 3PX -0.00036 0.00157 -0.00328 0.00344 -0.00084 178 3PY -0.00021 0.00093 -0.00015 -0.00335 -0.00257 179 3PZ -0.00345 0.00071 0.00177 0.00021 0.00039 180 4XX -0.00048 -0.00031 0.00078 -0.00045 0.00076 181 4YY 0.00034 0.00017 -0.00013 0.00018 -0.00039 182 4ZZ 0.00021 0.00013 -0.00067 0.00033 -0.00018 183 4XY -0.00026 0.00068 -0.00053 0.00051 -0.00063 184 4XZ 0.00104 -0.00015 -0.00079 0.00003 0.00020 185 4YZ -0.00104 0.00032 0.00065 -0.00033 -0.00006 186 22 H 1S -0.00398 -0.00002 0.00291 -0.00085 0.00022 187 2S -0.00782 0.00013 0.00705 -0.00259 0.00116 188 23 H 1S 0.00094 0.00056 -0.00334 0.00174 -0.00117 189 2S 0.00366 0.00073 -0.00572 0.00256 -0.00167 121 122 123 124 125 121 4YZ 0.00181 122 16 H 1S -0.01345 0.21512 123 2S -0.01024 0.15897 0.14252 124 17 C 1S -0.00093 0.01685 0.02111 2.05261 125 2S 0.00176 -0.03778 -0.04292 -0.06334 0.33256 126 2PX 0.00411 0.01256 0.02475 0.01176 -0.01998 127 2PY -0.00039 -0.04264 -0.07153 -0.00634 0.01500 128 2PZ -0.01358 -0.00218 0.00607 0.01405 -0.02170 129 3S 0.00473 -0.07012 -0.06765 -0.17198 0.27273 130 3PX 0.00509 0.00642 0.00799 0.02120 -0.04292 131 3PY 0.00302 -0.02494 -0.02647 -0.00657 0.00325 132 3PZ -0.00620 -0.00022 -0.00150 0.00675 -0.02186 133 4XX -0.00048 0.00263 0.00349 -0.01239 -0.01159 134 4YY 0.00008 0.00051 -0.00296 -0.01714 -0.00125 135 4ZZ 0.00019 0.00229 0.00487 -0.01510 -0.00556 136 4XY 0.00058 -0.00243 -0.00041 -0.00069 0.00120 137 4XZ -0.00019 0.00114 0.00217 -0.00382 0.00899 138 4YZ 0.00061 -0.00701 -0.00665 -0.00389 0.00798 139 18 H 1S 0.00701 -0.00991 -0.00501 -0.06712 0.13219 140 2S 0.00665 -0.00501 -0.00014 -0.01673 0.03913 141 19 O 1S -0.00413 0.01282 0.01379 -0.00167 0.00506 142 2S 0.00922 -0.02690 -0.02820 0.00707 -0.01595 143 2PX -0.01221 0.01029 0.00389 -0.00948 0.02370 144 2PY 0.00926 -0.02049 -0.02781 -0.02371 0.05641 145 2PZ -0.00084 0.05198 0.09370 0.00044 -0.00377 146 3S 0.01448 -0.06288 -0.05497 -0.00449 -0.00279 147 3PX -0.00700 -0.00199 -0.01334 -0.00713 0.01771 148 3PY 0.00564 -0.01344 -0.01585 -0.01439 0.03754 149 3PZ 0.00083 0.04014 0.06766 0.00260 -0.00728 150 4XX -0.00013 0.00263 0.00065 0.00035 -0.00011 151 4YY -0.00074 0.00078 0.00208 0.00145 -0.00240 152 4ZZ -0.00017 0.00410 0.00237 0.00100 -0.00105 153 4XY 0.00053 -0.00297 -0.00282 -0.00095 0.00216 154 4XZ 0.00001 0.00342 0.00108 -0.00014 0.00039 155 4YZ 0.00010 -0.00327 -0.00477 -0.00075 0.00153 156 20 O 1S 0.00031 -0.00279 -0.00197 0.00575 -0.00817 157 2S -0.00054 0.00880 0.00720 -0.01014 0.01261 158 2PX 0.00542 -0.02792 -0.05717 0.05526 -0.11975 159 2PY -0.00364 0.02038 0.04584 -0.02649 0.05512 160 2PZ 0.00347 -0.00863 0.00700 0.03854 -0.07486 161 3S -0.00097 0.01004 -0.00119 0.00858 -0.01457 162 3PX 0.00252 -0.02086 -0.04128 0.02442 -0.05739 163 3PY -0.00270 0.01409 0.02975 -0.02158 0.04411 164 3PZ 0.00313 -0.00676 0.00661 0.01945 -0.03657 165 4XX -0.00008 -0.00019 0.00011 -0.00264 0.00397 166 4YY -0.00034 0.00068 0.00223 -0.00114 0.00121 167 4ZZ 0.00041 -0.00004 -0.00076 -0.00134 0.00154 168 4XY 0.00019 0.00091 -0.00028 0.00424 -0.00848 169 4XZ 0.00008 -0.00087 -0.00097 -0.00528 0.00877 170 4YZ 0.00004 0.00058 0.00074 0.00346 -0.00613 171 21 C 1S 0.00181 -0.00639 -0.00664 -0.00314 0.00638 172 2S -0.00437 0.01742 0.01862 0.00673 -0.01754 173 2PX 0.00547 -0.02347 -0.03204 -0.01268 0.03068 174 2PY -0.00723 0.02368 0.02340 -0.00315 0.00785 175 2PZ 0.00160 -0.00882 -0.02334 -0.00739 0.01915 176 3S -0.00502 0.02692 0.02467 0.01015 -0.01295 177 3PX 0.00130 -0.01896 -0.02622 -0.01056 0.01965 178 3PY -0.00314 0.01605 0.01285 -0.00295 0.00740 179 3PZ 0.00124 0.00207 0.00066 -0.00561 0.00942 180 4XX 0.00012 0.00020 0.00292 -0.00080 0.00210 181 4YY -0.00003 -0.00001 -0.00055 0.00216 -0.00472 182 4ZZ 0.00020 -0.00167 -0.00352 -0.00173 0.00371 183 4XY 0.00022 -0.00039 -0.00063 -0.00068 0.00166 184 4XZ -0.00020 -0.00196 -0.00320 -0.00080 0.00197 185 4YZ 0.00012 0.00185 0.00224 -0.00033 0.00056 186 22 H 1S 0.00136 0.00315 0.01186 -0.00128 0.00252 187 2S 0.00382 0.00885 0.02651 0.00094 -0.00186 188 23 H 1S -0.00005 -0.00859 -0.02133 -0.00640 0.01540 189 2S 0.00088 -0.01971 -0.03376 -0.00610 0.01493 126 127 128 129 130 126 2PX 0.35371 127 2PY 0.03630 0.42806 128 2PZ -0.01906 0.02885 0.37249 129 3S -0.08761 -0.01081 -0.02659 0.29974 130 3PX 0.18177 0.03494 -0.08694 -0.06708 0.12473 131 3PY 0.04956 0.11867 -0.01996 0.00399 0.03310 132 3PZ -0.07209 -0.00935 0.15202 0.00052 -0.06146 133 4XX 0.01053 -0.00767 0.01099 -0.00903 0.00247 134 4YY -0.00616 0.01253 -0.00529 -0.00021 0.00008 135 4ZZ -0.00140 -0.01278 -0.00454 -0.00500 -0.00043 136 4XY -0.00172 0.00375 -0.01206 0.00208 0.00129 137 4XZ 0.00965 -0.01029 0.00676 0.00357 0.00042 138 4YZ -0.01323 -0.00743 -0.00864 0.01236 -0.00582 139 18 H 1S -0.07496 -0.16958 -0.18396 0.13428 -0.02269 140 2S -0.03833 -0.14225 -0.16120 0.04263 0.00485 141 19 O 1S 0.00607 0.00187 0.00720 -0.02204 -0.00010 142 2S -0.01455 -0.01745 -0.01527 0.04463 0.00142 143 2PX -0.05406 0.04110 0.03137 0.03900 -0.06129 144 2PY 0.02196 0.05733 0.01758 0.12848 -0.02256 145 2PZ 0.05069 0.04292 -0.05475 -0.01856 0.06051 146 3S -0.04409 0.02610 -0.04175 0.08734 -0.00886 147 3PX -0.04782 0.02586 0.03640 0.03136 -0.05161 148 3PY 0.02404 0.04145 0.00842 0.08185 -0.00996 149 3PZ 0.05534 0.03221 -0.04924 -0.02235 0.05505 150 4XX -0.00296 -0.00359 0.00422 0.00069 -0.00177 151 4YY -0.00041 -0.00269 0.00110 -0.00732 0.00045 152 4ZZ 0.00402 -0.00274 -0.00165 -0.00196 0.00144 153 4XY 0.00302 0.00611 -0.00029 -0.00006 0.00314 154 4XZ 0.00122 0.00119 0.00038 0.00026 0.00113 155 4YZ 0.00079 0.00423 -0.00014 -0.00025 0.00006 156 20 O 1S -0.02660 0.00953 -0.02436 0.03492 0.00475 157 2S 0.06256 -0.03255 0.05496 -0.08913 -0.01373 158 2PX -0.16219 0.10592 -0.18095 -0.03538 -0.03144 159 2PY 0.08197 -0.03444 0.07953 0.06756 -0.02145 160 2PZ -0.18838 0.07733 -0.08638 -0.08965 -0.07252 161 3S 0.03694 0.02899 0.05864 -0.13468 -0.02483 162 3PX -0.09466 0.05561 -0.08462 -0.00256 -0.02165 163 3PY 0.05064 -0.03048 0.06483 0.05255 -0.01953 164 3PZ -0.09281 0.04357 -0.06404 -0.05652 -0.03126 165 4XX -0.00732 -0.00643 0.00497 0.00520 -0.00493 166 4YY 0.00361 -0.00068 0.00434 0.00233 -0.00108 167 4ZZ 0.00647 -0.00547 -0.00850 0.00370 0.00568 168 4XY -0.00830 -0.00376 -0.00941 -0.00425 -0.00179 169 4XZ 0.00426 -0.00366 0.00104 0.00578 0.00025 170 4YZ -0.01220 -0.00315 -0.00307 -0.00522 -0.00470 171 21 C 1S 0.01152 0.00990 0.00088 0.00659 0.00869 172 2S -0.03150 -0.03286 0.00092 -0.00918 -0.01919 173 2PX 0.02354 0.02100 0.02323 0.04600 0.02153 174 2PY 0.03053 -0.02359 0.03727 -0.01696 0.02818 175 2PZ 0.02701 0.00822 -0.00102 0.03498 0.02187 176 3S -0.04935 -0.04941 -0.00080 0.00518 -0.02303 177 3PX -0.00272 0.01598 0.03444 0.02794 -0.00700 178 3PY 0.03169 -0.00310 0.02777 -0.00490 0.01051 179 3PZ 0.01388 0.00428 -0.00635 0.00687 0.01224 180 4XX 0.00733 -0.00190 0.00471 -0.00284 0.00315 181 4YY -0.00926 0.00494 -0.00647 -0.00306 -0.00456 182 4ZZ 0.00745 -0.00112 0.00216 0.00512 0.00388 183 4XY 0.00086 0.00201 0.00226 0.00068 -0.00386 184 4XZ 0.00588 0.00055 0.00268 0.00163 0.00126 185 4YZ 0.00624 0.00076 -0.00037 0.00114 0.00306 186 22 H 1S 0.00527 -0.00494 0.00591 -0.00400 0.00738 187 2S 0.03559 0.00678 -0.02527 -0.02481 0.03242 188 23 H 1S 0.02377 -0.00702 0.01456 0.03113 0.01289 189 2S 0.04141 0.00542 0.01430 0.02964 0.01984 131 132 133 134 135 131 3PY 0.05430 132 3PZ -0.02262 0.08174 133 4XX -0.00219 0.00351 0.00257 134 4YY 0.00157 -0.00049 -0.00066 0.00122 135 4ZZ -0.00161 -0.00234 -0.00051 -0.00036 0.00177 136 4XY 0.00261 -0.00470 -0.00076 0.00008 0.00055 137 4XZ -0.00122 -0.00012 0.00029 -0.00086 0.00049 138 4YZ -0.00152 -0.00033 -0.00050 0.00004 0.00000 139 18 H 1S -0.03641 -0.06121 -0.00934 -0.00166 0.00675 140 2S -0.02193 -0.05495 -0.00724 -0.00147 0.00844 141 19 O 1S -0.00840 -0.00190 0.00001 -0.00112 -0.00027 142 2S 0.01357 0.00723 0.00037 0.00166 0.00067 143 2PX 0.00425 0.00348 0.00316 -0.00309 -0.00288 144 2PY 0.07207 -0.02406 0.00010 -0.00537 0.00049 145 2PZ 0.04179 -0.03844 -0.00257 -0.00238 0.00310 146 3S 0.03795 -0.00346 -0.00164 0.00285 -0.00035 147 3PX -0.00043 0.01116 0.00260 -0.00146 -0.00278 148 3PY 0.05021 -0.01959 0.00019 -0.00403 0.00066 149 3PZ 0.03130 -0.03404 -0.00153 -0.00135 0.00229 150 4XX -0.00133 0.00260 -0.00003 0.00007 -0.00004 151 4YY -0.00374 0.00171 0.00023 0.00005 -0.00002 152 4ZZ -0.00125 -0.00161 0.00020 -0.00008 0.00005 153 4XY 0.00169 -0.00009 -0.00042 0.00039 -0.00016 154 4XZ -0.00043 0.00069 -0.00002 0.00029 -0.00022 155 4YZ -0.00031 0.00022 -0.00011 0.00036 -0.00031 156 20 O 1S 0.01020 0.00952 -0.00322 0.00182 -0.00090 157 2S -0.02120 -0.02437 0.00839 -0.00409 0.00235 158 2PX 0.01151 -0.03239 0.00944 0.00918 -0.01399 159 2PY 0.04808 0.00627 0.01046 -0.01653 0.00638 160 2PZ 0.03326 -0.03094 -0.02941 0.00565 0.02477 161 3S -0.01206 -0.02986 0.00468 -0.00025 0.00267 162 3PX -0.00067 -0.00690 0.00784 0.00558 -0.01125 163 3PY 0.02862 0.00929 0.00632 -0.01096 0.00436 164 3PZ 0.02422 -0.02965 -0.02040 0.00317 0.01746 165 4XX -0.00303 0.00340 -0.00032 -0.00004 0.00019 166 4YY 0.00265 0.00113 0.00061 -0.00085 0.00032 167 4ZZ -0.00102 -0.00309 0.00039 0.00003 -0.00048 168 4XY -0.00214 -0.00152 0.00057 0.00024 -0.00030 169 4XZ -0.00086 -0.00111 -0.00006 -0.00022 0.00002 170 4YZ -0.00169 0.00029 -0.00114 0.00030 0.00107 171 21 C 1S 0.00707 -0.00110 -0.00090 0.00096 -0.00057 172 2S -0.01699 0.00906 0.00265 -0.00239 0.00111 173 2PX 0.00388 0.00788 -0.00613 0.00374 -0.00264 174 2PY -0.02953 0.02186 -0.00294 0.00283 -0.00156 175 2PZ -0.00445 -0.00484 -0.00296 0.00195 -0.00165 176 3S -0.02301 0.01583 0.00059 -0.00173 0.00098 177 3PX -0.00175 0.01562 -0.00036 0.00157 -0.00328 178 3PY 0.00031 0.00461 0.00021 -0.00093 0.00015 179 3PZ 0.00257 -0.00743 -0.00345 0.00071 0.00177 180 4XX 0.00097 0.00061 -0.00048 -0.00031 0.00078 181 4YY 0.00140 -0.00241 0.00034 0.00018 -0.00013 182 4ZZ -0.00126 0.00065 0.00021 0.00013 -0.00067 183 4XY 0.00347 -0.00208 0.00027 -0.00068 0.00053 184 4XZ -0.00087 0.00070 0.00104 -0.00015 -0.00079 185 4YZ 0.00150 -0.00113 0.00104 -0.00032 -0.00065 186 22 H 1S 0.00321 0.00177 -0.00398 -0.00002 0.00291 187 2S 0.01792 -0.02143 -0.00782 0.00013 0.00705 188 23 H 1S -0.01181 0.00641 0.00094 0.00056 -0.00334 189 2S -0.00734 0.00351 0.00366 0.00073 -0.00572 136 137 138 139 140 136 4XY 0.00157 137 4XZ -0.00038 0.00159 138 4YZ 0.00056 -0.00008 0.00181 139 18 H 1S 0.00634 0.00355 0.01346 0.21512 140 2S 0.00604 0.00266 0.01024 0.15897 0.14253 141 19 O 1S -0.00006 0.00024 -0.00031 -0.00279 -0.00197 142 2S -0.00010 -0.00049 0.00054 0.00879 0.00719 143 2PX -0.00582 0.00024 -0.00542 -0.02792 -0.05716 144 2PY -0.00300 0.00140 -0.00363 -0.02038 -0.04582 145 2PZ -0.00420 0.00091 -0.00347 -0.00863 0.00700 146 3S -0.00067 -0.00291 0.00097 0.01003 -0.00121 147 3PX -0.00413 0.00006 -0.00252 -0.02086 -0.04127 148 3PY -0.00134 0.00124 -0.00270 -0.01409 -0.02973 149 3PZ -0.00166 0.00035 -0.00313 -0.00676 0.00661 150 4XX -0.00054 0.00008 0.00008 -0.00019 0.00011 151 4YY 0.00036 0.00014 0.00034 0.00068 0.00223 152 4ZZ 0.00011 -0.00004 -0.00041 -0.00004 -0.00076 153 4XY 0.00033 -0.00011 0.00019 -0.00091 0.00028 154 4XZ 0.00000 -0.00009 -0.00008 -0.00087 -0.00097 155 4YZ 0.00040 -0.00015 0.00004 -0.00058 -0.00074 156 20 O 1S 0.00469 -0.00505 0.00413 0.01282 0.01379 157 2S -0.01079 0.01161 -0.00922 -0.02690 -0.02820 158 2PX 0.00448 -0.02005 0.01220 0.01029 0.00387 159 2PY 0.01262 0.01476 0.00927 0.02051 0.02784 160 2PZ 0.01651 -0.00340 0.00084 0.05198 0.09370 161 3S -0.01469 0.00972 -0.01448 -0.06287 -0.05495 162 3PX -0.00028 -0.01187 0.00699 -0.00200 -0.01335 163 3PY 0.00711 0.01042 0.00565 0.01345 0.01588 164 3PZ 0.01091 -0.00065 -0.00083 0.04014 0.06765 165 4XX -0.00022 0.00006 0.00013 0.00263 0.00065 166 4YY 0.00094 0.00074 0.00074 0.00078 0.00208 167 4ZZ -0.00014 -0.00023 0.00017 0.00410 0.00237 168 4XY 0.00006 -0.00079 0.00053 0.00297 0.00282 169 4XZ -0.00024 0.00065 -0.00001 0.00342 0.00108 170 4YZ 0.00033 -0.00029 0.00010 0.00328 0.00477 171 21 C 1S -0.00137 0.00004 -0.00181 -0.00639 -0.00664 172 2S 0.00301 0.00068 0.00437 0.01742 0.01862 173 2PX -0.00532 -0.00384 -0.00547 -0.02347 -0.03203 174 2PY -0.00802 0.00057 -0.00723 -0.02367 -0.02340 175 2PZ -0.00251 -0.00166 -0.00160 -0.00882 -0.02333 176 3S 0.00263 -0.00112 0.00502 0.02692 0.02466 177 3PX -0.00344 -0.00084 -0.00131 -0.01896 -0.02622 178 3PY -0.00334 0.00257 -0.00314 -0.01604 -0.01284 179 3PZ -0.00021 0.00038 -0.00124 0.00208 0.00067 180 4XX 0.00045 0.00076 -0.00012 0.00020 0.00292 181 4YY -0.00018 -0.00039 0.00003 -0.00001 -0.00055 182 4ZZ -0.00033 -0.00018 -0.00020 -0.00167 -0.00352 183 4XY 0.00051 0.00063 0.00023 0.00039 0.00063 184 4XZ -0.00003 0.00020 0.00020 -0.00197 -0.00320 185 4YZ -0.00033 0.00006 0.00012 -0.00185 -0.00225 186 22 H 1S 0.00086 0.00022 -0.00136 0.00315 0.01186 187 2S 0.00259 0.00116 -0.00381 0.00885 0.02651 188 23 H 1S -0.00174 -0.00116 0.00005 -0.00859 -0.02133 189 2S -0.00256 -0.00167 -0.00088 -0.01971 -0.03375 141 142 143 144 145 141 19 O 1S 2.07561 142 2S -0.17780 0.50274 143 2PX -0.00636 0.01603 0.61892 144 2PY -0.03934 0.07420 0.05182 0.66748 145 2PZ -0.01473 0.02194 -0.12923 0.00024 0.74389 146 3S -0.24635 0.59441 0.01671 0.21226 0.11207 147 3PX -0.00455 0.01074 0.37210 0.06146 -0.14988 148 3PY -0.02576 0.04951 0.05982 0.42594 0.00054 149 3PZ -0.01066 0.01633 -0.13511 0.00843 0.49386 150 4XX -0.01619 -0.00080 -0.00625 0.00495 0.00255 151 4YY -0.01262 -0.00841 -0.00035 -0.04102 0.00096 152 4ZZ -0.01277 -0.00781 0.00492 0.00627 -0.01859 153 4XY 0.00166 -0.00377 -0.02715 -0.00461 0.00501 154 4XZ -0.00340 0.00727 -0.00842 -0.00122 -0.00375 155 4YZ 0.00109 -0.00217 0.00342 -0.00831 -0.02954 156 20 O 1S 0.00077 -0.00160 -0.00910 -0.01112 -0.00310 157 2S -0.00160 0.00452 0.01813 0.02882 0.00329 158 2PX -0.00910 0.01812 0.00972 -0.00656 -0.01634 159 2PY 0.01112 -0.02882 0.00655 0.13503 -0.00430 160 2PZ -0.00310 0.00330 -0.01635 0.00425 -0.01312 161 3S -0.01102 0.02308 0.07517 0.06162 0.01890 162 3PX -0.01177 0.02562 0.02099 -0.00494 -0.01555 163 3PY 0.00498 -0.01321 0.01228 0.10394 -0.00627 164 3PZ -0.00397 0.00693 -0.00999 0.00408 -0.01051 165 4XX 0.00000 0.00009 -0.00255 0.00359 -0.00262 166 4YY 0.00031 -0.00108 0.00115 -0.00255 -0.00063 167 4ZZ -0.00004 0.00050 -0.00203 0.00080 -0.00135 168 4XY -0.00099 0.00234 0.00158 -0.00245 -0.00155 169 4XZ 0.00039 -0.00093 0.00036 0.00261 -0.00268 170 4YZ -0.00056 0.00137 -0.00055 -0.00314 -0.00084 171 21 C 1S 0.00368 -0.00672 -0.03470 0.05992 -0.01056 172 2S -0.00203 0.00297 0.07270 -0.13210 0.01809 173 2PX 0.02027 -0.04947 -0.09687 0.18916 -0.03502 174 2PY -0.02801 0.06705 0.17471 -0.22061 0.06341 175 2PZ 0.00807 -0.01881 -0.03596 0.06966 -0.01039 176 3S 0.02965 -0.07504 0.04357 -0.09851 0.00492 177 3PX -0.00241 0.00618 -0.01034 0.06250 -0.04482 178 3PY -0.00259 0.00242 0.07793 -0.01595 0.01982 179 3PZ -0.00277 0.00519 -0.04617 0.02575 0.04519 180 4XX 0.00099 -0.00186 -0.02081 -0.00948 0.01054 181 4YY -0.00619 0.01488 0.02163 0.00439 0.00455 182 4ZZ 0.00363 -0.00781 -0.00450 0.00732 -0.01650 183 4XY 0.00596 -0.01406 -0.00416 0.02790 -0.01233 184 4XZ -0.00064 0.00193 0.00781 -0.00848 -0.01794 185 4YZ 0.00162 -0.00409 -0.01289 0.00887 0.02081 186 22 H 1S 0.00801 -0.02061 -0.06403 0.01289 0.05215 187 2S 0.00100 -0.00591 -0.12383 0.03430 0.13124 188 23 H 1S 0.01123 -0.02517 0.00185 0.01429 -0.06397 189 2S 0.00725 -0.01491 0.02329 0.03432 -0.11727 146 147 148 149 150 146 3S 0.76071 147 3PX 0.01070 0.23556 148 3PY 0.13519 0.05350 0.27449 149 3PZ 0.07651 -0.12928 0.00436 0.33563 150 4XX -0.00067 -0.00335 0.00251 0.00185 0.00074 151 4YY -0.01783 -0.00225 -0.02579 -0.00021 -0.00028 152 4ZZ -0.01080 0.00471 0.00415 -0.01187 0.00002 153 4XY -0.00352 -0.01606 -0.00408 0.00536 0.00009 154 4XZ 0.00701 -0.00438 -0.00132 -0.00179 0.00011 155 4YZ -0.00676 0.00422 -0.00516 -0.01899 -0.00027 156 20 O 1S -0.01102 -0.01177 -0.00498 -0.00397 0.00000 157 2S 0.02308 0.02562 0.01321 0.00692 0.00009 158 2PX 0.07519 0.02098 -0.01230 -0.00999 -0.00255 159 2PY -0.06164 0.00494 0.10394 -0.00412 -0.00359 160 2PZ 0.01888 -0.01555 0.00624 -0.01050 -0.00261 161 3S 0.06983 0.06312 0.03226 0.01407 0.00030 162 3PX 0.06314 0.02449 -0.00923 -0.01260 -0.00108 163 3PY -0.03227 0.00922 0.07743 -0.00649 -0.00177 164 3PZ 0.01406 -0.01259 0.00647 -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 0.02666 -0.07755 -0.00022 0.00110 173 2PX -0.03485 -0.05639 0.11134 -0.00521 0.00914 174 2PY 0.03408 0.07987 -0.13355 0.02264 -0.00066 175 2PZ -0.01699 -0.00578 0.03806 -0.02127 -0.00076 176 3S -0.13434 0.01209 -0.05909 -0.00684 0.00253 177 3PX 0.01248 -0.00013 0.03572 -0.02735 0.00327 178 3PY -0.00765 0.04104 -0.00586 0.00586 0.00023 179 3PZ 0.01192 -0.02742 0.01362 0.02750 0.00008 180 4XX -0.00485 -0.01459 -0.00613 0.00906 0.00018 181 4YY 0.02277 0.01356 0.00339 0.00147 -0.00055 182 4ZZ -0.01117 -0.00074 0.00408 -0.01071 0.00023 183 4XY -0.01300 0.00047 0.01782 -0.00718 0.00004 184 4XZ -0.00159 0.00694 -0.00507 -0.01303 -0.00057 185 4YZ -0.00067 -0.00860 0.00511 0.01492 0.00022 186 22 H 1S -0.03252 -0.05656 0.00787 0.04855 0.00535 187 2S 0.00354 -0.09828 0.02125 0.10793 0.00406 188 23 H 1S -0.05213 0.01062 0.00657 -0.05254 0.00087 189 2S -0.03215 0.03139 0.02007 -0.08475 -0.00049 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 -0.00158 0.00036 0.00055 159 2PY 0.00255 -0.00079 -0.00245 -0.00261 -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 -0.00089 -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 0.00117 0.00111 0.00149 174 2PY 0.01036 -0.00276 -0.00632 -0.00043 0.00046 175 2PZ -0.00495 0.00639 0.00327 0.00699 -0.00678 176 3S 0.00995 -0.00061 -0.00667 -0.00039 -0.00167 177 3PX -0.00460 0.00084 -0.00074 0.00116 0.00140 178 3PY 0.00088 -0.00006 -0.00320 -0.00090 -0.00068 179 3PZ -0.00199 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 -0.00038 0.00046 0.00001 -0.00096 186 22 H 1S -0.00056 -0.00300 -0.00115 -0.00171 0.00048 187 2S -0.00325 -0.00389 0.00318 -0.00188 -0.00198 188 23 H 1S 0.00015 0.00490 -0.00128 0.00491 -0.00201 189 2S -0.00212 0.00625 -0.00065 0.00411 0.00132 156 157 158 159 160 156 20 O 1S 2.07561 157 2S -0.17779 0.50274 158 2PX -0.00636 0.01602 0.61894 159 2PY 0.03934 -0.07419 -0.05186 0.66751 160 2PZ -0.01474 0.02196 -0.12922 -0.00022 0.74388 161 3S -0.24634 0.59439 0.01667 -0.21222 0.11215 162 3PX -0.00455 0.01074 0.37211 -0.06151 -0.14987 163 3PY 0.02576 -0.04951 -0.05987 0.42595 -0.00052 164 3PZ -0.01067 0.01634 -0.13509 -0.00841 0.49383 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 0.00493 -0.00627 -0.01861 168 4XY -0.00166 0.00377 0.02715 -0.00461 -0.00501 169 4XZ -0.00340 0.00727 -0.00843 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 -0.05993 -0.01055 172 2S -0.00203 0.00298 0.07272 0.13212 0.01806 173 2PX 0.02027 -0.04949 -0.09689 -0.18919 -0.03497 174 2PY 0.02802 -0.06707 -0.17473 -0.22062 -0.06335 175 2PZ 0.00807 -0.01879 -0.03592 -0.06960 -0.01035 176 3S 0.02965 -0.07504 0.04356 0.09851 0.00491 177 3PX -0.00241 0.00617 -0.01034 -0.06250 -0.04480 178 3PY 0.00259 -0.00242 -0.07794 -0.01594 -0.01980 179 3PZ -0.00277 0.00520 -0.04614 -0.02573 0.04519 180 4XX 0.00099 -0.00186 -0.02081 0.00949 0.01054 181 4YY -0.00619 0.01488 0.02163 -0.00439 0.00454 182 4ZZ 0.00363 -0.00782 -0.00451 -0.00733 -0.01649 183 4XY -0.00596 0.01406 0.00416 0.02791 0.01232 184 4XZ -0.00064 0.00192 0.00781 0.00847 -0.01795 185 4YZ -0.00161 0.00409 0.01289 0.00887 -0.02082 186 22 H 1S 0.00801 -0.02061 -0.06404 -0.01286 0.05215 187 2S 0.00100 -0.00591 -0.12384 -0.03426 0.13125 188 23 H 1S 0.01123 -0.02517 0.00185 -0.01430 -0.06397 189 2S 0.00725 -0.01491 0.02330 -0.03435 -0.11726 161 162 163 164 165 161 3S 0.76067 162 3PX 0.01067 0.23557 163 3PY -0.13518 -0.05355 0.27450 164 3PZ 0.07656 -0.12927 -0.00434 0.33561 165 4XX -0.00067 -0.00334 -0.00252 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 0.00701 -0.00438 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 -0.05250 0.02666 0.07756 -0.00024 0.00110 173 2PX -0.03486 -0.05640 -0.11135 -0.00518 0.00914 174 2PY -0.03410 -0.07987 -0.13354 -0.02260 0.00066 175 2PZ -0.01699 -0.00576 -0.03803 -0.02125 -0.00076 176 3S -0.13434 0.01208 0.05908 -0.00684 0.00254 177 3PX 0.01247 -0.00013 -0.03572 -0.02734 0.00327 178 3PY 0.00765 -0.04105 -0.00585 -0.00585 -0.00023 179 3PZ 0.01192 -0.02740 -0.01360 0.02749 0.00008 180 4XX -0.00485 -0.01459 0.00613 0.00906 0.00018 181 4YY 0.02277 0.01357 -0.00340 0.00146 -0.00055 182 4ZZ -0.01118 -0.00074 -0.00409 -0.01070 0.00024 183 4XY 0.01301 -0.00047 0.01783 0.00717 -0.00004 184 4XZ -0.00159 0.00694 0.00506 -0.01304 -0.00057 185 4YZ 0.00066 0.00860 0.00511 -0.01492 -0.00022 186 22 H 1S -0.03251 -0.05657 -0.00785 0.04855 0.00535 187 2S 0.00355 -0.09830 -0.02121 0.10793 0.00406 188 23 H 1S -0.05214 0.01063 -0.00658 -0.05254 0.00087 189 2S -0.03217 0.03140 -0.02009 -0.08474 -0.00049 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 -0.00109 172 2S 0.01324 -0.00268 0.00902 0.00063 0.00218 173 2PX -0.01503 0.00327 -0.00117 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 -0.00088 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 -0.00056 -0.00300 0.00115 -0.00171 -0.00049 187 2S -0.00325 -0.00390 -0.00318 -0.00187 0.00198 188 23 H 1S 0.00016 0.00490 0.00129 0.00491 0.00201 189 2S -0.00212 0.00625 0.00065 0.00411 -0.00132 171 172 173 174 175 171 21 C 1S 2.04988 172 2S -0.06565 0.34507 173 2PX -0.01935 0.03141 0.38992 174 2PY 0.00000 0.00000 0.00000 0.29478 175 2PZ -0.00691 0.01463 -0.02504 0.00003 0.46072 176 3S -0.14934 0.26010 0.06913 0.00001 0.01022 177 3PX -0.01725 0.03492 0.12989 -0.00001 0.00345 178 3PY 0.00000 0.00000 -0.00001 0.07132 0.00001 179 3PZ -0.00162 0.00465 -0.00310 0.00001 0.16103 180 4XX -0.01697 -0.00181 0.00430 0.00000 -0.01505 181 4YY -0.01319 -0.01006 -0.02120 0.00000 -0.00792 182 4ZZ -0.01826 0.00097 0.01465 0.00001 0.02223 183 4XY 0.00000 0.00000 -0.00001 -0.02764 0.00001 184 4XZ 0.00017 0.00018 -0.01750 0.00001 0.01529 185 4YZ 0.00000 0.00000 0.00001 -0.01018 0.00001 186 22 H 1S -0.05869 0.11885 0.21465 -0.00003 -0.17357 187 2S -0.00827 0.02349 0.17719 -0.00003 -0.16449 188 23 H 1S -0.06049 0.12724 0.04995 0.00004 0.27569 189 2S -0.01310 0.03867 0.02097 0.00003 0.22749 176 177 178 179 180 176 3S 0.23162 177 3PX 0.03445 0.05548 178 3PY 0.00000 0.00000 0.02777 179 3PZ -0.00045 -0.00132 0.00000 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 0.00611 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 0.00255 -0.00114 185 4YZ 0.00000 0.00000 -0.00225 0.00000 0.00000 186 22 H 1S 0.11411 0.06668 -0.00001 -0.04680 0.01188 187 2S 0.03153 0.03658 0.00000 -0.02964 0.01581 188 23 H 1S 0.10522 0.03673 0.00001 0.08871 -0.01009 189 2S 0.03140 0.02456 0.00001 0.06330 -0.01137 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 -0.01320 -0.00198 0.00000 -0.01732 0.00000 187 2S -0.01024 -0.00599 0.00000 -0.01984 0.00000 188 23 H 1S -0.01175 0.01845 0.00000 0.00997 0.00000 189 2S -0.00629 0.01677 0.00000 0.01244 0.00000 186 187 188 189 186 22 H 1S 0.22403 187 2S 0.19017 0.21156 188 23 H 1S -0.04284 -0.08780 0.22384 189 2S -0.07926 -0.11043 0.16995 0.15548 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 0.35516 4 2PY 0.00000 0.00000 0.00000 0.41443 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.40211 6 3S -0.02917 0.19680 0.00000 0.00000 0.00000 7 3PX 0.00000 0.00000 0.12496 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 0.06993 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 -0.00046 0.00000 -0.00253 0.00000 17 2S -0.00046 0.00935 0.00000 0.03966 0.00000 18 2PX 0.00000 0.00000 0.01518 0.00000 0.00000 19 2PY -0.00253 0.03966 0.00000 0.09673 0.00000 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.00347 21 3S -0.00031 0.01099 0.00000 0.03106 0.00000 22 3PX 0.00000 0.00000 0.02443 0.00000 0.00000 23 3PY -0.00167 0.02306 0.00000 0.01798 0.00000 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.01021 25 4XX 0.00000 -0.00038 0.00000 -0.00084 0.00000 26 4YY -0.00026 0.00361 0.00000 0.00229 0.00000 27 4ZZ 0.00000 -0.00051 0.00000 -0.00133 0.00000 28 4XY 0.00000 0.00000 0.00204 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 0.00201 31 3 H 1S -0.00201 0.03151 0.01631 0.02418 0.05812 32 2S -0.00121 0.01248 0.01124 0.01526 0.03819 33 4 H 1S 0.00000 -0.00017 -0.00001 -0.00057 -0.00013 34 2S 0.00019 -0.00255 -0.00037 -0.00816 -0.00201 35 5 C 1S 0.00000 -0.00060 -0.00008 -0.00064 -0.00230 36 2S -0.00055 0.01175 0.00109 0.00958 0.03309 37 2PX -0.00010 0.00159 0.01557 0.00036 0.00939 38 2PY -0.00069 0.00980 -0.00035 -0.00036 0.02654 39 2PZ -0.00217 0.03225 0.01191 0.02711 0.03729 40 3S -0.00073 0.01369 0.00012 0.00627 0.03438 41 3PX 0.00003 -0.00012 0.02857 -0.00001 0.00427 42 3PY -0.00067 0.00769 -0.00075 -0.00083 0.01065 43 3PZ -0.00155 0.01811 0.00652 0.01220 0.00353 44 4XX 0.00001 -0.00053 0.00006 -0.00020 -0.00091 45 4YY 0.00002 -0.00045 -0.00001 -0.00025 -0.00035 46 4ZZ -0.00014 0.00189 0.00050 0.00199 -0.00092 47 4XY -0.00001 0.00009 0.00029 0.00000 0.00026 48 4XZ -0.00002 0.00017 0.00134 0.00012 0.00019 49 4YZ -0.00013 0.00141 0.00027 -0.00004 0.00193 50 6 H 1S 0.00000 -0.00019 0.00000 -0.00048 -0.00026 51 2S 0.00019 -0.00279 0.00008 -0.00661 -0.00295 52 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 53 2S 0.00000 -0.00009 -0.00002 -0.00030 -0.00005 54 2PX 0.00000 0.00000 -0.00004 0.00000 -0.00001 55 2PY 0.00000 -0.00024 -0.00002 -0.00052 -0.00005 56 2PZ 0.00000 -0.00016 -0.00002 -0.00036 -0.00005 57 3S 0.00005 -0.00115 -0.00026 -0.00152 -0.00166 58 3PX 0.00000 -0.00001 -0.00115 -0.00027 -0.00016 59 3PY 0.00007 -0.00138 -0.00035 0.00058 -0.00015 60 3PZ 0.00007 -0.00140 -0.00034 -0.00242 -0.00021 61 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 62 4YY 0.00000 0.00003 0.00000 0.00014 0.00001 63 4ZZ 0.00000 -0.00001 0.00000 -0.00002 0.00000 64 4XY 0.00000 0.00000 0.00001 0.00000 0.00000 65 4XZ 0.00000 0.00000 0.00001 0.00000 0.00000 66 4YZ 0.00000 0.00001 0.00000 0.00009 0.00000 67 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 68 2S 0.00000 0.00013 0.00000 0.00052 0.00003 69 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 70 2S 0.00000 -0.00004 -0.00006 0.00000 -0.00014 71 2PX 0.00000 -0.00006 0.00004 0.00000 -0.00026 72 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 73 2PZ 0.00000 -0.00018 -0.00015 0.00000 -0.00039 74 3S 0.00004 -0.00071 -0.00205 0.00001 -0.00159 75 3PX 0.00004 -0.00086 0.00011 0.00003 -0.00298 76 3PY 0.00000 0.00003 0.00004 0.00013 0.00007 77 3PZ 0.00012 -0.00201 -0.00037 -0.00001 -0.00290 78 4XX 0.00000 0.00000 -0.00001 0.00000 0.00001 79 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 80 4ZZ 0.00000 0.00002 0.00006 0.00000 0.00004 81 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 82 4XZ 0.00000 0.00000 0.00000 0.00000 0.00003 83 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 84 10 H 1S 0.00000 0.00000 -0.00001 0.00000 0.00000 85 2S 0.00000 -0.00004 -0.00059 0.00000 0.00019 86 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 87 2S 0.00000 0.00014 0.00018 0.00002 0.00021 88 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 89 2S 0.00000 0.00000 0.00000 0.00000 0.00000 90 2PX 0.00000 0.00000 0.00000 -0.00001 0.00000 91 2PY 0.00000 0.00000 0.00001 0.00001 -0.00002 92 2PZ 0.00000 -0.00001 -0.00001 -0.00002 0.00000 93 3S 0.00002 -0.00042 -0.00012 -0.00033 -0.00038 94 3PX 0.00001 -0.00016 -0.00001 -0.00039 0.00004 95 3PY 0.00001 -0.00023 0.00041 0.00008 -0.00088 96 3PZ 0.00001 -0.00023 0.00000 -0.00044 -0.00001 97 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 99 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 101 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 106 2S 0.00000 0.00001 0.00010 -0.00001 -0.00002 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 -0.00001 0.00000 -0.00002 109 2PX 0.00000 -0.00001 -0.00002 0.00000 -0.00004 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 -0.00002 0.00000 0.00000 -0.00004 112 3S 0.00001 0.00008 -0.00033 0.00000 0.00017 113 3PX 0.00002 -0.00065 -0.00035 0.00000 -0.00157 114 3PY 0.00000 0.00000 0.00000 -0.00004 -0.00001 115 3PZ 0.00004 -0.00032 -0.00045 0.00000 0.00009 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00001 0.00000 0.00001 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00003 -0.00008 0.00000 0.00002 124 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 125 2S 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PX 0.00000 0.00000 -0.00001 0.00000 -0.00001 127 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 128 2PZ 0.00000 0.00000 -0.00002 0.00000 -0.00001 129 3S 0.00000 -0.00015 -0.00017 -0.00004 -0.00040 130 3PX 0.00000 0.00000 -0.00053 -0.00022 -0.00056 131 3PY 0.00000 -0.00010 0.00037 0.00003 0.00002 132 3PZ 0.00000 -0.00019 -0.00080 -0.00008 -0.00077 133 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4YZ 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 0.00000 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 -0.00002 -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 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00004 0.00000 0.00000 6 7 8 9 10 6 3S 0.23666 7 3PX 0.00000 0.14681 8 3PY 0.00000 0.00000 0.05806 9 3PZ 0.00000 0.00000 0.00000 0.05820 10 4XX -0.00540 0.00000 0.00000 0.00000 0.00073 11 4YY -0.00177 0.00000 0.00000 0.00000 0.00004 12 4ZZ 0.00011 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 -0.00031 0.00000 -0.00167 0.00000 0.00000 17 2S 0.01099 0.00000 0.02306 0.00000 -0.00038 18 2PX 0.00000 0.02443 0.00000 0.00000 0.00000 19 2PY 0.03106 0.00000 0.01798 0.00000 -0.00084 20 2PZ 0.00000 0.00000 0.00000 0.01021 0.00000 21 3S -0.00467 0.00000 0.01031 0.00000 -0.00083 22 3PX 0.00000 0.04128 0.00000 0.00000 0.00000 23 3PY 0.01031 0.00000 0.00190 0.00000 -0.00069 24 3PZ 0.00000 0.00000 0.00000 0.01004 0.00000 25 4XX -0.00083 0.00000 -0.00069 0.00000 0.00002 26 4YY 0.00381 0.00000 0.00115 0.00000 -0.00006 27 4ZZ -0.00199 0.00000 -0.00204 0.00000 0.00001 28 4XY 0.00000 0.00130 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 0.00046 0.00000 31 3 H 1S 0.04222 0.00789 0.00985 0.02404 -0.00036 32 2S 0.03625 0.00865 0.00742 0.01857 0.00032 33 4 H 1S -0.00414 0.00006 -0.00333 0.00017 0.00000 34 2S -0.01645 -0.00017 -0.01333 0.00033 0.00010 35 5 C 1S 0.00057 0.00019 -0.00040 -0.00061 0.00001 36 2S 0.00548 -0.00087 0.00362 0.01568 -0.00036 37 2PX 0.00073 0.02580 -0.00025 0.00448 0.00004 38 2PY 0.01081 -0.00098 0.00130 0.00875 -0.00019 39 2PZ 0.01332 0.00536 0.01498 0.00074 -0.00062 40 3S -0.01157 -0.00246 0.00206 0.01607 -0.00084 41 3PX 0.00067 0.04679 -0.00111 0.00457 -0.00011 42 3PY 0.00480 -0.00117 0.00079 0.00413 -0.00027 43 3PZ 0.00209 0.00505 0.01102 0.00065 -0.00018 44 4XX -0.00040 -0.00018 -0.00046 -0.00021 0.00002 45 4YY -0.00145 -0.00002 -0.00041 -0.00028 0.00000 46 4ZZ 0.00253 0.00049 0.00106 -0.00076 -0.00002 47 4XY 0.00003 0.00021 -0.00001 0.00004 0.00000 48 4XZ 0.00004 0.00103 -0.00002 0.00003 0.00000 49 4YZ 0.00037 0.00002 -0.00001 0.00005 -0.00004 50 6 H 1S -0.00397 0.00003 -0.00003 -0.00158 0.00000 51 2S -0.01341 0.00028 -0.00224 -0.00516 0.00000 52 7 C 1S -0.00001 0.00000 0.00010 -0.00009 0.00000 53 2S -0.00108 -0.00010 -0.00226 0.00033 0.00000 54 2PX -0.00004 -0.00102 -0.00028 -0.00020 0.00000 55 2PY -0.00519 0.00000 -0.00558 0.00027 0.00000 56 2PZ 0.00148 0.00004 0.00101 0.00050 0.00000 57 3S -0.00123 -0.00022 -0.00338 -0.00104 0.00003 58 3PX -0.00079 -0.00494 -0.00136 -0.00077 0.00001 59 3PY -0.00657 -0.00034 -0.00205 0.00089 0.00000 60 3PZ 0.00329 -0.00048 0.00197 -0.00057 -0.00001 61 4XX -0.00007 0.00000 -0.00017 -0.00006 0.00000 62 4YY 0.00044 -0.00002 0.00071 0.00000 0.00000 63 4ZZ -0.00011 0.00003 -0.00016 0.00000 0.00000 64 4XY 0.00000 0.00005 0.00000 0.00001 0.00000 65 4XZ -0.00002 0.00010 -0.00001 0.00000 0.00000 66 4YZ 0.00013 0.00000 0.00016 0.00002 0.00000 67 8 H 1S 0.00014 0.00000 0.00034 -0.00001 0.00000 68 2S 0.00203 -0.00002 0.00381 0.00011 0.00000 69 9 C 1S 0.00002 0.00006 0.00000 0.00005 0.00000 70 2S -0.00048 -0.00094 -0.00004 -0.00079 0.00000 71 2PX 0.00037 0.00033 -0.00004 0.00003 0.00000 72 2PY -0.00002 0.00002 0.00017 -0.00003 0.00000 73 2PZ -0.00145 -0.00148 -0.00017 -0.00112 0.00001 74 3S 0.00196 -0.00722 -0.00019 0.00182 0.00005 75 3PX 0.00125 -0.00006 -0.00003 -0.00127 0.00003 76 3PY 0.00007 0.00010 0.00107 0.00000 0.00000 77 3PZ -0.00137 -0.00113 -0.00025 -0.00149 0.00014 78 4XX -0.00003 -0.00023 -0.00001 0.00016 0.00000 79 4YY -0.00007 0.00001 0.00000 -0.00010 0.00000 80 4ZZ 0.00018 0.00049 0.00002 0.00005 0.00000 81 4XY 0.00000 0.00000 -0.00002 0.00000 0.00000 82 4XZ 0.00002 0.00000 0.00000 0.00008 0.00000 83 4YZ 0.00000 0.00000 -0.00005 0.00000 0.00000 84 10 H 1S -0.00013 -0.00083 -0.00001 0.00002 0.00000 85 2S -0.00096 -0.00342 -0.00002 0.00000 0.00000 86 11 H 1S 0.00005 0.00007 0.00004 0.00006 0.00000 87 2S 0.00085 0.00129 0.00040 0.00019 0.00000 88 12 C 1S 0.00002 0.00001 0.00001 0.00001 0.00000 89 2S -0.00038 -0.00025 -0.00015 -0.00013 0.00000 90 2PX -0.00067 -0.00013 -0.00021 -0.00049 0.00000 91 2PY -0.00021 0.00023 0.00009 -0.00050 0.00000 92 2PZ -0.00082 -0.00037 -0.00079 -0.00015 0.00000 93 3S -0.00472 -0.00083 -0.00209 -0.00150 0.00002 94 3PX -0.00270 0.00002 -0.00093 -0.00135 0.00000 95 3PY -0.00122 0.00170 -0.00003 -0.00233 0.00000 96 3PZ -0.00311 -0.00033 -0.00223 -0.00045 0.00002 97 4XX -0.00001 0.00002 -0.00005 -0.00002 0.00000 98 4YY 0.00001 -0.00003 0.00003 -0.00001 0.00000 99 4ZZ 0.00003 -0.00001 0.00002 0.00006 0.00000 100 4XY 0.00001 0.00000 0.00000 0.00002 0.00000 101 4XZ -0.00003 0.00000 -0.00002 0.00000 0.00000 102 4YZ 0.00000 0.00000 0.00002 -0.00001 0.00000 103 13 H 1S 0.00001 0.00000 0.00002 0.00001 0.00000 104 2S 0.00032 0.00000 0.00031 0.00023 0.00000 105 14 H 1S 0.00004 0.00007 -0.00002 0.00004 0.00000 106 2S 0.00062 0.00138 -0.00036 -0.00003 0.00000 107 15 C 1S 0.00000 0.00002 0.00000 0.00002 0.00000 108 2S -0.00003 -0.00059 0.00000 -0.00062 0.00000 109 2PX 0.00036 -0.00051 0.00000 -0.00031 0.00000 110 2PY 0.00000 0.00000 0.00009 0.00000 0.00000 111 2PZ 0.00011 -0.00063 0.00000 -0.00068 0.00000 112 3S 0.00047 -0.00225 0.00000 -0.00168 0.00000 113 3PX 0.00174 -0.00124 0.00000 -0.00234 0.00000 114 3PY 0.00000 0.00000 -0.00020 -0.00001 0.00000 115 3PZ 0.00066 -0.00274 0.00000 -0.00122 -0.00003 116 4XX -0.00004 0.00004 0.00000 -0.00005 0.00000 117 4YY 0.00000 -0.00003 0.00000 -0.00002 0.00000 118 4ZZ 0.00007 0.00008 0.00000 0.00014 0.00000 119 4XY 0.00000 0.00000 -0.00001 0.00000 0.00000 120 4XZ 0.00000 0.00008 0.00000 0.00008 0.00000 121 4YZ 0.00000 0.00000 -0.00002 0.00000 0.00000 122 16 H 1S 0.00002 -0.00006 0.00002 -0.00001 0.00000 123 2S 0.00022 -0.00057 0.00020 -0.00001 0.00000 124 17 C 1S 0.00000 0.00001 0.00000 0.00001 0.00000 125 2S 0.00000 -0.00029 -0.00003 -0.00023 0.00000 126 2PX -0.00010 -0.00048 -0.00026 -0.00085 0.00000 127 2PY -0.00008 0.00014 0.00002 0.00001 0.00000 128 2PZ -0.00011 -0.00123 -0.00039 -0.00084 0.00000 129 3S -0.00079 -0.00156 -0.00041 -0.00183 0.00000 130 3PX -0.00069 -0.00149 -0.00149 -0.00411 0.00000 131 3PY -0.00029 0.00180 0.00008 0.00119 0.00000 132 3PZ -0.00045 -0.00467 -0.00119 -0.00299 0.00001 133 4XX 0.00000 -0.00001 -0.00001 -0.00002 0.00000 134 4YY 0.00000 0.00000 0.00000 -0.00001 0.00000 135 4ZZ 0.00001 0.00006 0.00001 0.00005 0.00000 136 4XY 0.00000 -0.00001 0.00000 0.00000 0.00000 137 4XZ -0.00001 0.00000 -0.00001 -0.00001 0.00000 138 4YZ 0.00000 -0.00001 0.00000 -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 -0.00004 -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 0.00004 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 0.00040 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 -0.00041 -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 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00001 0.00011 0.00000 0.00004 0.00000 188 23 H 1S -0.00001 -0.00002 0.00000 0.00000 0.00000 189 2S -0.00022 0.00020 -0.00001 -0.00002 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 -0.00026 0.00000 0.00000 0.00000 0.00000 17 2S 0.00361 -0.00051 0.00000 0.00000 0.00000 18 2PX 0.00000 0.00000 0.00204 0.00000 0.00000 19 2PY 0.00229 -0.00133 0.00000 0.00000 0.00000 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.00201 21 3S 0.00381 -0.00199 0.00000 0.00000 0.00000 22 3PX 0.00000 0.00000 0.00130 0.00000 0.00000 23 3PY 0.00115 -0.00204 0.00000 0.00000 0.00000 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.00046 25 4XX -0.00006 0.00001 0.00000 0.00000 0.00000 26 4YY -0.00007 -0.00001 0.00000 0.00000 0.00000 27 4ZZ -0.00001 0.00002 0.00000 0.00000 0.00000 28 4XY 0.00000 0.00000 -0.00009 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 -0.00025 31 3 H 1S -0.00081 0.00181 0.00071 0.00150 0.00268 32 2S -0.00130 0.00240 0.00016 0.00026 0.00061 33 4 H 1S 0.00002 0.00000 0.00002 0.00000 0.00006 34 2S -0.00017 0.00015 0.00009 0.00000 0.00029 35 5 C 1S 0.00001 -0.00012 -0.00001 -0.00002 -0.00014 36 2S -0.00045 0.00170 0.00010 0.00017 0.00145 37 2PX -0.00002 0.00041 0.00035 0.00110 0.00028 38 2PY -0.00027 0.00200 0.00000 0.00021 -0.00003 39 2PZ -0.00070 -0.00077 0.00029 0.00021 0.00176 40 3S -0.00065 0.00204 0.00005 0.00000 0.00074 41 3PX -0.00014 0.00052 0.00034 0.00069 0.00003 42 3PY -0.00054 0.00077 0.00000 0.00000 0.00005 43 3PZ -0.00048 -0.00084 0.00009 0.00003 0.00010 44 4XX -0.00001 0.00001 0.00000 0.00000 -0.00005 45 4YY 0.00004 -0.00017 0.00000 -0.00004 0.00001 46 4ZZ -0.00012 0.00004 -0.00002 0.00005 -0.00009 47 4XY 0.00000 0.00000 0.00000 0.00002 0.00000 48 4XZ -0.00002 0.00004 -0.00001 -0.00003 -0.00003 49 4YZ 0.00000 -0.00008 0.00000 -0.00001 0.00002 50 6 H 1S 0.00009 -0.00003 0.00000 0.00000 0.00006 51 2S 0.00098 -0.00058 0.00001 -0.00001 0.00016 52 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 53 2S 0.00002 0.00000 0.00000 0.00000 0.00003 54 2PX 0.00001 0.00000 0.00002 0.00000 0.00001 55 2PY 0.00006 0.00000 0.00000 0.00000 0.00008 56 2PZ 0.00003 0.00001 0.00001 0.00000 0.00003 57 3S 0.00012 0.00003 0.00000 0.00000 0.00022 58 3PX 0.00003 -0.00003 0.00022 -0.00004 0.00003 59 3PY 0.00017 0.00007 -0.00001 0.00000 0.00021 60 3PZ -0.00003 0.00011 0.00006 0.00000 0.00003 61 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 62 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 63 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 65 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 67 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 68 2S -0.00001 0.00000 0.00000 0.00000 -0.00001 69 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 70 2S 0.00000 0.00001 0.00000 0.00001 0.00000 71 2PX 0.00000 0.00003 0.00000 0.00002 0.00000 72 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 73 2PZ 0.00000 0.00004 0.00000 0.00004 0.00000 74 3S -0.00012 0.00023 0.00000 0.00007 -0.00001 75 3PX -0.00008 0.00023 0.00000 0.00004 -0.00001 76 3PY 0.00000 0.00000 0.00002 0.00000 -0.00006 77 3PZ -0.00013 0.00024 0.00000 0.00016 -0.00001 78 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 80 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 82 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 83 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 84 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00001 -0.00001 -0.00003 0.00000 86 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 87 2S 0.00000 -0.00002 0.00000 0.00000 0.00000 88 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 89 2S 0.00000 0.00000 0.00000 0.00000 0.00000 90 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 91 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 92 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 3S 0.00003 -0.00003 -0.00002 0.00001 -0.00001 94 3PX -0.00001 0.00002 0.00000 0.00000 -0.00002 95 3PY 0.00004 -0.00006 0.00000 -0.00001 0.00000 96 3PZ -0.00001 -0.00001 0.00000 0.00001 -0.00002 97 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 99 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 101 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 0.00000 0.00000 0.00000 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 106 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00001 0.00000 0.00001 0.00000 112 3S -0.00002 0.00006 0.00000 0.00002 0.00000 113 3PX -0.00003 0.00014 0.00000 0.00005 0.00000 114 3PY 0.00000 0.00000 0.00002 0.00000 0.00000 115 3PZ -0.00004 0.00012 0.00000 0.00010 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 124 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 125 2S 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 127 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 128 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 3S 0.00001 0.00000 0.00000 0.00000 0.00001 130 3PX 0.00000 0.00001 0.00000 0.00000 -0.00001 131 3PY 0.00000 -0.00001 0.00000 0.00000 0.00000 132 3PZ 0.00000 0.00001 0.00000 0.00001 0.00001 133 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4YZ 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 0.00000 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 -0.00002 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 2.05282 17 2S -0.01370 0.32755 18 2PX 0.00000 0.00000 0.35515 19 2PY 0.00000 0.00000 0.00000 0.41443 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.40211 21 3S -0.02917 0.19680 0.00000 0.00000 0.00000 22 3PX 0.00000 0.00000 0.12497 0.00000 0.00000 23 3PY 0.00000 0.00000 0.00000 0.07776 0.00000 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.06992 25 4XX -0.00098 -0.00926 0.00000 0.00000 0.00000 26 4YY -0.00134 -0.00220 0.00000 0.00000 0.00000 27 4ZZ -0.00141 -0.00118 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 H 1S 0.00000 -0.00017 -0.00001 -0.00057 -0.00013 32 2S 0.00019 -0.00255 -0.00037 -0.00815 -0.00201 33 4 H 1S -0.00201 0.03151 0.01630 0.02421 0.05810 34 2S -0.00121 0.01248 0.01123 0.01528 0.03817 35 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 36 2S 0.00000 -0.00009 -0.00002 -0.00030 -0.00005 37 2PX 0.00000 0.00000 -0.00004 0.00000 -0.00001 38 2PY 0.00000 -0.00024 -0.00002 -0.00052 -0.00005 39 2PZ 0.00000 -0.00016 -0.00002 -0.00036 -0.00005 40 3S 0.00005 -0.00115 -0.00026 -0.00152 -0.00166 41 3PX 0.00000 -0.00001 -0.00115 -0.00027 -0.00016 42 3PY 0.00007 -0.00138 -0.00035 0.00058 -0.00015 43 3PZ 0.00007 -0.00140 -0.00034 -0.00242 -0.00021 44 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YY 0.00000 0.00003 0.00000 0.00014 0.00001 46 4ZZ 0.00000 -0.00001 0.00000 -0.00002 0.00000 47 4XY 0.00000 0.00000 0.00001 0.00000 0.00000 48 4XZ 0.00000 0.00000 0.00001 0.00000 0.00000 49 4YZ 0.00000 0.00001 0.00000 0.00009 0.00000 50 6 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 51 2S 0.00000 0.00013 0.00000 0.00052 0.00003 52 7 C 1S 0.00000 -0.00060 -0.00008 -0.00064 -0.00230 53 2S -0.00055 0.01175 0.00109 0.00957 0.03310 54 2PX -0.00010 0.00159 0.01557 0.00035 0.00939 55 2PY -0.00069 0.00979 -0.00035 -0.00037 0.02652 56 2PZ -0.00217 0.03226 0.01190 0.02709 0.03733 57 3S -0.00073 0.01370 0.00012 0.00626 0.03439 58 3PX 0.00003 -0.00012 0.02858 -0.00001 0.00427 59 3PY -0.00067 0.00768 -0.00075 -0.00083 0.01065 60 3PZ -0.00155 0.01812 0.00651 0.01220 0.00354 61 4XX 0.00001 -0.00053 0.00006 -0.00020 -0.00091 62 4YY 0.00002 -0.00046 -0.00001 -0.00025 -0.00035 63 4ZZ -0.00014 0.00189 0.00050 0.00199 -0.00092 64 4XY -0.00001 0.00009 0.00029 0.00000 0.00026 65 4XZ -0.00002 0.00017 0.00134 0.00012 0.00019 66 4YZ -0.00013 0.00141 0.00027 -0.00004 0.00193 67 8 H 1S 0.00000 -0.00019 0.00000 -0.00048 -0.00026 68 2S 0.00019 -0.00279 0.00008 -0.00661 -0.00295 69 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 70 2S 0.00000 0.00000 0.00000 0.00000 0.00000 71 2PX 0.00000 0.00000 0.00000 -0.00001 0.00000 72 2PY 0.00000 0.00000 0.00001 0.00001 -0.00002 73 2PZ 0.00000 -0.00001 -0.00001 -0.00002 0.00000 74 3S 0.00002 -0.00042 -0.00012 -0.00033 -0.00038 75 3PX 0.00001 -0.00016 -0.00001 -0.00039 0.00004 76 3PY 0.00001 -0.00023 0.00041 0.00008 -0.00088 77 3PZ 0.00001 -0.00023 0.00000 -0.00044 -0.00001 78 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 80 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 82 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 83 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 84 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00001 0.00010 -0.00001 -0.00002 86 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 87 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 88 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 89 2S 0.00000 -0.00004 -0.00006 0.00000 -0.00014 90 2PX 0.00000 -0.00006 0.00004 0.00000 -0.00026 91 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 92 2PZ 0.00000 -0.00018 -0.00015 0.00000 -0.00039 93 3S 0.00004 -0.00071 -0.00205 0.00001 -0.00159 94 3PX 0.00004 -0.00086 0.00011 0.00003 -0.00298 95 3PY 0.00000 0.00003 0.00004 0.00013 0.00007 96 3PZ 0.00012 -0.00201 -0.00037 -0.00001 -0.00290 97 4XX 0.00000 0.00000 -0.00001 0.00000 0.00001 98 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 99 4ZZ 0.00000 0.00002 0.00006 0.00000 0.00004 100 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 101 4XZ 0.00000 0.00000 0.00000 0.00000 0.00003 102 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00014 0.00018 0.00002 0.00021 105 14 H 1S 0.00000 0.00000 -0.00001 0.00000 0.00000 106 2S 0.00000 -0.00004 -0.00059 0.00000 0.00019 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 -0.00001 0.00000 -0.00001 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 -0.00002 0.00000 -0.00001 112 3S 0.00000 -0.00015 -0.00017 -0.00004 -0.00040 113 3PX 0.00000 0.00000 -0.00053 -0.00022 -0.00056 114 3PY 0.00000 -0.00010 0.00037 0.00003 0.00002 115 3PZ 0.00000 -0.00019 -0.00080 -0.00008 -0.00077 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00002 0.00001 0.00001 124 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 125 2S 0.00000 0.00000 -0.00001 0.00000 -0.00002 126 2PX 0.00000 -0.00001 -0.00002 0.00000 -0.00004 127 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 128 2PZ 0.00000 -0.00002 0.00000 0.00000 -0.00004 129 3S 0.00001 0.00008 -0.00034 0.00000 0.00017 130 3PX 0.00002 -0.00065 -0.00035 0.00000 -0.00158 131 3PY 0.00000 0.00000 0.00000 -0.00004 -0.00001 132 3PZ 0.00004 -0.00032 -0.00045 0.00000 0.00009 133 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00001 0.00000 0.00001 138 4YZ 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 0.00003 -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 0.00000 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 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00004 0.00000 0.00000 21 22 23 24 25 21 3S 0.23665 22 3PX 0.00000 0.14682 23 3PY 0.00000 0.00000 0.05806 24 3PZ 0.00000 0.00000 0.00000 0.05819 25 4XX -0.00540 0.00000 0.00000 0.00000 0.00073 26 4YY -0.00176 0.00000 0.00000 0.00000 0.00004 27 4ZZ 0.00010 0.00000 0.00000 0.00000 0.00008 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 H 1S -0.00414 0.00006 -0.00333 0.00017 0.00000 32 2S -0.01645 -0.00018 -0.01333 0.00033 0.00010 33 4 H 1S 0.04222 0.00788 0.00987 0.02403 -0.00036 34 2S 0.03625 0.00864 0.00743 0.01856 0.00032 35 5 C 1S -0.00001 0.00000 0.00010 -0.00009 0.00000 36 2S -0.00108 -0.00010 -0.00226 0.00033 0.00000 37 2PX -0.00004 -0.00102 -0.00028 -0.00020 0.00000 38 2PY -0.00519 0.00000 -0.00558 0.00027 0.00000 39 2PZ 0.00148 0.00004 0.00101 0.00049 0.00000 40 3S -0.00123 -0.00022 -0.00338 -0.00104 0.00003 41 3PX -0.00079 -0.00495 -0.00136 -0.00076 0.00001 42 3PY -0.00657 -0.00034 -0.00205 0.00089 0.00000 43 3PZ 0.00329 -0.00048 0.00197 -0.00058 -0.00001 44 4XX -0.00007 0.00000 -0.00017 -0.00006 0.00000 45 4YY 0.00044 -0.00002 0.00071 0.00000 0.00000 46 4ZZ -0.00011 0.00003 -0.00016 0.00000 0.00000 47 4XY 0.00000 0.00005 0.00000 0.00001 0.00000 48 4XZ -0.00002 0.00010 -0.00001 0.00000 0.00000 49 4YZ 0.00013 0.00000 0.00016 0.00002 0.00000 50 6 H 1S 0.00014 0.00000 0.00034 -0.00001 0.00000 51 2S 0.00203 -0.00002 0.00381 0.00011 0.00000 52 7 C 1S 0.00057 0.00019 -0.00040 -0.00061 0.00001 53 2S 0.00549 -0.00087 0.00362 0.01568 -0.00036 54 2PX 0.00072 0.02580 -0.00025 0.00447 0.00004 55 2PY 0.01080 -0.00098 0.00131 0.00874 -0.00019 56 2PZ 0.01333 0.00536 0.01498 0.00074 -0.00062 57 3S -0.01157 -0.00246 0.00205 0.01608 -0.00084 58 3PX 0.00067 0.04680 -0.00111 0.00457 -0.00011 59 3PY 0.00480 -0.00117 0.00079 0.00413 -0.00027 60 3PZ 0.00210 0.00505 0.01101 0.00065 -0.00018 61 4XX -0.00040 -0.00018 -0.00046 -0.00021 0.00002 62 4YY -0.00145 -0.00002 -0.00041 -0.00028 0.00000 63 4ZZ 0.00253 0.00049 0.00106 -0.00076 -0.00002 64 4XY 0.00003 0.00021 -0.00001 0.00004 0.00000 65 4XZ 0.00004 0.00103 -0.00002 0.00003 0.00000 66 4YZ 0.00037 0.00002 -0.00001 0.00005 -0.00004 67 8 H 1S -0.00397 0.00003 -0.00003 -0.00158 0.00000 68 2S -0.01341 0.00029 -0.00224 -0.00516 0.00000 69 9 C 1S 0.00002 0.00001 0.00001 0.00001 0.00000 70 2S -0.00038 -0.00025 -0.00015 -0.00013 0.00000 71 2PX -0.00067 -0.00013 -0.00021 -0.00049 0.00000 72 2PY -0.00021 0.00023 0.00009 -0.00050 0.00000 73 2PZ -0.00082 -0.00037 -0.00079 -0.00015 0.00000 74 3S -0.00472 -0.00083 -0.00209 -0.00150 0.00002 75 3PX -0.00270 0.00002 -0.00093 -0.00135 0.00000 76 3PY -0.00122 0.00171 -0.00003 -0.00233 0.00000 77 3PZ -0.00310 -0.00033 -0.00223 -0.00045 0.00002 78 4XX -0.00001 0.00002 -0.00005 -0.00002 0.00000 79 4YY 0.00001 -0.00003 0.00003 -0.00001 0.00000 80 4ZZ 0.00003 -0.00001 0.00002 0.00006 0.00000 81 4XY 0.00001 0.00001 0.00000 0.00002 0.00000 82 4XZ -0.00003 0.00000 -0.00002 0.00000 0.00000 83 4YZ 0.00000 0.00000 0.00002 -0.00001 0.00000 84 10 H 1S 0.00004 0.00007 -0.00002 0.00004 0.00000 85 2S 0.00062 0.00139 -0.00036 -0.00003 0.00000 86 11 H 1S 0.00001 0.00000 0.00002 0.00001 0.00000 87 2S 0.00032 0.00000 0.00031 0.00023 0.00000 88 12 C 1S 0.00002 0.00006 0.00000 0.00005 0.00000 89 2S -0.00047 -0.00094 -0.00004 -0.00079 0.00000 90 2PX 0.00037 0.00032 -0.00004 0.00003 0.00000 91 2PY -0.00002 0.00002 0.00017 -0.00003 0.00000 92 2PZ -0.00145 -0.00148 -0.00016 -0.00112 0.00001 93 3S 0.00196 -0.00722 -0.00019 0.00182 0.00005 94 3PX 0.00125 -0.00006 -0.00003 -0.00127 0.00003 95 3PY 0.00007 0.00009 0.00106 0.00000 0.00000 96 3PZ -0.00136 -0.00113 -0.00025 -0.00149 0.00014 97 4XX -0.00003 -0.00023 -0.00001 0.00016 0.00000 98 4YY -0.00007 0.00001 0.00000 -0.00010 0.00000 99 4ZZ 0.00018 0.00049 0.00002 0.00005 0.00000 100 4XY 0.00000 0.00000 -0.00002 0.00000 0.00000 101 4XZ 0.00002 0.00000 0.00000 0.00008 0.00000 102 4YZ 0.00000 0.00000 -0.00005 0.00000 0.00000 103 13 H 1S 0.00005 0.00007 0.00004 0.00006 0.00000 104 2S 0.00085 0.00129 0.00040 0.00019 0.00000 105 14 H 1S -0.00013 -0.00083 -0.00001 0.00002 0.00000 106 2S -0.00096 -0.00342 -0.00002 0.00000 0.00000 107 15 C 1S 0.00000 0.00001 0.00000 0.00001 0.00000 108 2S 0.00000 -0.00029 -0.00003 -0.00023 0.00000 109 2PX -0.00010 -0.00048 -0.00026 -0.00085 0.00000 110 2PY -0.00008 0.00014 0.00002 0.00001 0.00000 111 2PZ -0.00011 -0.00123 -0.00039 -0.00083 0.00000 112 3S -0.00079 -0.00156 -0.00041 -0.00183 0.00000 113 3PX -0.00069 -0.00149 -0.00149 -0.00410 0.00000 114 3PY -0.00029 0.00180 0.00008 0.00119 0.00000 115 3PZ -0.00045 -0.00467 -0.00119 -0.00299 0.00001 116 4XX 0.00000 -0.00001 -0.00001 -0.00002 0.00000 117 4YY 0.00000 0.00000 0.00000 -0.00001 0.00000 118 4ZZ 0.00001 0.00006 0.00001 0.00005 0.00000 119 4XY 0.00000 -0.00001 0.00000 0.00000 0.00000 120 4XZ -0.00001 0.00000 -0.00001 -0.00001 0.00000 121 4YZ 0.00000 -0.00001 0.00000 -0.00001 0.00000 122 16 H 1S 0.00000 0.00001 0.00001 0.00001 0.00000 123 2S 0.00014 0.00029 0.00024 0.00042 0.00000 124 17 C 1S 0.00000 0.00002 0.00000 0.00002 0.00000 125 2S -0.00003 -0.00059 0.00000 -0.00062 0.00000 126 2PX 0.00036 -0.00051 0.00000 -0.00031 0.00000 127 2PY 0.00000 0.00000 0.00009 0.00000 0.00000 128 2PZ 0.00011 -0.00063 0.00000 -0.00069 0.00000 129 3S 0.00047 -0.00225 0.00000 -0.00168 0.00000 130 3PX 0.00174 -0.00125 0.00000 -0.00234 0.00000 131 3PY 0.00000 0.00000 -0.00020 -0.00001 0.00000 132 3PZ 0.00066 -0.00274 0.00000 -0.00122 -0.00003 133 4XX -0.00004 0.00004 0.00000 -0.00005 0.00000 134 4YY 0.00000 -0.00003 0.00000 -0.00002 0.00000 135 4ZZ 0.00007 0.00008 0.00000 0.00014 0.00000 136 4XY 0.00000 0.00000 -0.00001 0.00000 0.00000 137 4XZ 0.00000 0.00008 0.00000 0.00008 0.00000 138 4YZ 0.00000 0.00000 -0.00002 0.00000 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 0.00001 0.00001 0.00000 0.00001 0.00000 143 2PX 0.00001 0.00006 0.00001 0.00003 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 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00001 0.00011 0.00000 0.00004 0.00000 188 23 H 1S -0.00001 -0.00002 0.00000 0.00000 0.00000 189 2S -0.00022 0.00020 -0.00001 -0.00002 0.00000 26 27 28 29 30 26 4YY 0.00115 27 4ZZ -0.00018 0.00110 28 4XY 0.00000 0.00000 0.00077 29 4XZ 0.00000 0.00000 0.00000 0.00070 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00134 31 3 H 1S 0.00002 0.00000 0.00002 0.00000 0.00006 32 2S -0.00017 0.00015 0.00009 0.00000 0.00029 33 4 H 1S -0.00080 0.00180 0.00071 0.00150 0.00268 34 2S -0.00129 0.00240 0.00016 0.00026 0.00061 35 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 36 2S 0.00002 0.00000 0.00000 0.00000 0.00003 37 2PX 0.00001 0.00000 0.00002 0.00000 0.00001 38 2PY 0.00006 0.00000 0.00000 0.00000 0.00008 39 2PZ 0.00003 0.00001 0.00001 0.00000 0.00003 40 3S 0.00012 0.00003 0.00000 0.00000 0.00022 41 3PX 0.00003 -0.00003 0.00022 -0.00004 0.00003 42 3PY 0.00017 0.00007 -0.00001 0.00000 0.00021 43 3PZ -0.00003 0.00011 0.00006 0.00000 0.00003 44 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 46 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 47 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 48 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 49 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 50 6 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 51 2S -0.00001 0.00000 0.00000 0.00000 -0.00001 52 7 C 1S 0.00001 -0.00012 -0.00001 -0.00002 -0.00014 53 2S -0.00045 0.00171 0.00010 0.00017 0.00145 54 2PX -0.00002 0.00041 0.00035 0.00110 0.00028 55 2PY -0.00027 0.00200 0.00000 0.00021 -0.00003 56 2PZ -0.00071 -0.00077 0.00029 0.00021 0.00176 57 3S -0.00065 0.00205 0.00005 0.00000 0.00074 58 3PX -0.00014 0.00052 0.00034 0.00069 0.00003 59 3PY -0.00054 0.00077 0.00000 0.00000 0.00005 60 3PZ -0.00048 -0.00084 0.00009 0.00003 0.00010 61 4XX -0.00001 0.00001 0.00000 0.00000 -0.00005 62 4YY 0.00004 -0.00017 0.00000 -0.00004 0.00001 63 4ZZ -0.00012 0.00004 -0.00002 0.00005 -0.00009 64 4XY 0.00000 0.00000 0.00000 0.00002 0.00000 65 4XZ -0.00002 0.00004 -0.00001 -0.00003 -0.00003 66 4YZ 0.00000 -0.00008 0.00000 -0.00001 0.00002 67 8 H 1S 0.00009 -0.00003 0.00000 0.00000 0.00006 68 2S 0.00098 -0.00058 0.00001 -0.00001 0.00016 69 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 70 2S 0.00000 0.00000 0.00000 0.00000 0.00000 71 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 72 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 73 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 74 3S 0.00003 -0.00003 -0.00002 0.00001 -0.00001 75 3PX -0.00001 0.00002 0.00000 0.00000 -0.00002 76 3PY 0.00004 -0.00006 0.00000 -0.00001 0.00000 77 3PZ -0.00001 -0.00001 0.00000 0.00001 -0.00002 78 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 80 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 82 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 83 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 84 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 86 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 87 2S 0.00000 0.00000 0.00000 0.00000 0.00000 88 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 89 2S 0.00000 0.00001 0.00000 0.00001 0.00000 90 2PX 0.00000 0.00003 0.00000 0.00002 0.00000 91 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 92 2PZ 0.00000 0.00004 0.00000 0.00004 0.00000 93 3S -0.00012 0.00023 0.00000 0.00007 -0.00001 94 3PX -0.00008 0.00023 0.00000 0.00004 -0.00001 95 3PY 0.00000 0.00000 0.00002 0.00000 -0.00006 96 3PZ -0.00013 0.00024 0.00000 0.00016 -0.00001 97 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 99 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 101 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 -0.00002 0.00000 0.00000 0.00000 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 106 2S 0.00000 0.00001 -0.00001 -0.00003 0.00000 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00001 0.00000 0.00000 0.00000 0.00001 113 3PX 0.00000 0.00001 0.00000 0.00000 -0.00001 114 3PY 0.00000 -0.00001 0.00000 0.00000 0.00000 115 3PZ 0.00000 0.00001 0.00000 0.00001 0.00001 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 125 2S 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 127 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 128 2PZ 0.00000 0.00001 0.00000 0.00001 0.00000 129 3S -0.00002 0.00006 0.00000 0.00002 0.00000 130 3PX -0.00003 0.00014 0.00000 0.00005 0.00000 131 3PY 0.00000 0.00000 0.00002 0.00000 0.00000 132 3PZ -0.00004 0.00012 0.00000 0.00010 0.00000 133 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4YZ 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 0.00000 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 31 32 33 34 35 31 3 H 1S 0.21724 32 2S 0.11526 0.16429 33 4 H 1S -0.00001 -0.00090 0.21724 34 2S -0.00090 -0.00524 0.11525 0.16429 35 5 C 1S 0.00000 0.00026 0.00000 0.00000 2.05493 36 2S -0.00021 -0.00353 0.00000 0.00013 -0.01338 37 2PX -0.00005 -0.00095 0.00000 -0.00001 0.00000 38 2PY 0.00000 0.00000 0.00000 0.00019 0.00000 39 2PZ -0.00066 -0.01002 0.00000 0.00034 0.00000 40 3S -0.00370 -0.01436 0.00011 0.00160 -0.03626 41 3PX 0.00035 0.00090 0.00000 -0.00013 0.00000 42 3PY -0.00008 -0.00023 0.00005 0.00099 0.00000 43 3PZ -0.00328 -0.01419 0.00019 0.00242 0.00000 44 4XX 0.00001 0.00032 0.00000 0.00000 -0.00092 45 4YY -0.00001 -0.00036 0.00000 -0.00002 -0.00146 46 4ZZ 0.00009 0.00050 0.00000 0.00001 -0.00109 47 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 48 4XZ 0.00003 0.00013 0.00000 0.00000 0.00000 49 4YZ -0.00001 -0.00004 0.00000 0.00000 0.00000 50 6 H 1S -0.00002 -0.00105 0.00000 0.00000 -0.00197 51 2S -0.00108 -0.00576 0.00000 -0.00014 -0.00122 52 7 C 1S 0.00000 0.00000 0.00000 0.00026 0.00000 53 2S 0.00000 0.00013 -0.00021 -0.00353 0.00000 54 2PX 0.00000 -0.00001 -0.00005 -0.00095 0.00000 55 2PY 0.00000 0.00019 0.00000 0.00000 0.00000 56 2PZ 0.00000 0.00034 -0.00066 -0.01002 0.00000 57 3S 0.00011 0.00160 -0.00370 -0.01436 0.00007 58 3PX 0.00000 -0.00013 0.00035 0.00090 0.00000 59 3PY 0.00005 0.00099 -0.00008 -0.00023 0.00010 60 3PZ 0.00019 0.00242 -0.00328 -0.01419 0.00000 61 4XX 0.00000 0.00000 0.00001 0.00032 0.00000 62 4YY 0.00000 -0.00002 -0.00001 -0.00036 0.00000 63 4ZZ 0.00000 0.00001 0.00009 0.00050 0.00000 64 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 65 4XZ 0.00000 0.00000 0.00003 0.00013 0.00000 66 4YZ 0.00000 0.00000 -0.00001 -0.00003 0.00000 67 8 H 1S 0.00000 0.00000 -0.00002 -0.00105 0.00000 68 2S 0.00000 -0.00014 -0.00108 -0.00576 0.00000 69 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 70 2S 0.00000 0.00008 0.00000 0.00000 -0.00020 71 2PX 0.00000 0.00013 0.00000 0.00000 -0.00064 72 2PY 0.00000 0.00001 0.00000 0.00000 -0.00019 73 2PZ 0.00000 0.00027 0.00000 0.00000 -0.00062 74 3S 0.00008 0.00142 0.00000 0.00001 0.00028 75 3PX 0.00010 0.00127 0.00000 -0.00003 -0.00067 76 3PY 0.00002 0.00016 0.00000 -0.00001 -0.00022 77 3PZ 0.00012 0.00196 0.00000 -0.00009 -0.00061 78 4XX 0.00000 0.00000 0.00000 0.00000 -0.00001 79 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 80 4ZZ 0.00000 -0.00002 0.00000 0.00000 -0.00001 81 4XY 0.00000 0.00000 0.00000 0.00000 -0.00003 82 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00007 83 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00003 84 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 -0.00006 0.00000 0.00000 0.00017 86 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 87 2S 0.00000 -0.00018 0.00000 0.00002 0.00018 88 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 89 2S 0.00000 0.00000 0.00000 0.00008 0.00000 90 2PX 0.00000 0.00000 0.00000 0.00013 0.00000 91 2PY 0.00000 0.00000 0.00000 0.00001 0.00000 92 2PZ 0.00000 0.00000 0.00000 0.00027 0.00000 93 3S 0.00000 0.00001 0.00008 0.00142 -0.00001 94 3PX 0.00000 -0.00003 0.00010 0.00127 0.00000 95 3PY 0.00000 -0.00001 0.00002 0.00016 0.00009 96 3PZ 0.00000 -0.00009 0.00012 0.00196 0.00000 97 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 99 4ZZ 0.00000 0.00000 0.00000 -0.00002 0.00000 100 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 101 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00002 0.00000 -0.00018 0.00000 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 106 2S 0.00000 0.00000 0.00000 -0.00006 0.00000 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00001 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00003 0.00000 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00005 0.00000 -0.00001 0.00000 112 3S -0.00001 -0.00029 0.00000 0.00012 0.00014 113 3PX 0.00003 0.00045 0.00000 -0.00010 0.00009 114 3PY 0.00001 0.00014 0.00000 0.00017 0.00000 115 3PZ -0.00004 -0.00034 0.00001 0.00006 0.00002 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 -0.00010 0.00000 0.00001 0.00003 124 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 125 2S 0.00000 0.00000 0.00000 0.00001 0.00000 126 2PX 0.00000 0.00000 0.00000 0.00003 0.00000 127 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 128 2PZ 0.00000 -0.00001 0.00000 0.00005 0.00000 129 3S 0.00000 0.00012 -0.00001 -0.00029 0.00000 130 3PX 0.00000 -0.00010 0.00003 0.00045 0.00001 131 3PY 0.00000 0.00017 0.00001 0.00014 -0.00001 132 3PZ 0.00001 0.00006 -0.00004 -0.00034 0.00000 133 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4YZ 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 -0.00010 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 0.00003 0.00000 0.00000 0.00000 146 3S 0.00000 0.00019 0.00000 -0.00001 0.00000 147 3PX -0.00001 0.00014 0.00000 0.00000 0.00000 148 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 3PZ -0.00002 0.00013 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 -0.00001 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 0.00003 0.00000 161 3S 0.00000 -0.00001 0.00000 0.00019 0.00000 162 3PX 0.00000 0.00000 -0.00001 0.00014 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 -0.00001 -0.00002 0.00013 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 -0.00001 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 0.00000 177 3PX 0.00001 0.00008 0.00001 0.00008 0.00000 178 3PY 0.00000 0.00005 0.00000 0.00005 0.00000 179 3PZ 0.00000 -0.00001 0.00000 -0.00001 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 0.00001 0.00008 0.00001 0.00008 0.00000 36 37 38 39 40 36 2S 0.32600 37 2PX 0.00000 0.34896 38 2PY 0.00000 0.00000 0.41140 39 2PZ 0.00000 0.00000 0.00000 0.39184 40 3S 0.23449 0.00000 0.00000 0.00000 0.29354 41 3PX 0.00000 0.11483 0.00000 0.00000 0.00000 42 3PY 0.00000 0.00000 0.07561 0.00000 0.00000 43 3PZ 0.00000 0.00000 0.00000 0.09433 0.00000 44 4XX -0.00901 0.00000 0.00000 0.00000 -0.00634 45 4YY 0.00117 0.00000 0.00000 0.00000 0.00257 46 4ZZ -0.00530 0.00000 0.00000 0.00000 -0.00501 47 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 48 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 49 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 50 6 H 1S 0.03104 0.00168 0.09662 0.00025 0.04211 51 2S 0.01265 0.00088 0.06397 -0.00001 0.02299 52 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00007 53 2S -0.00002 0.00000 -0.00006 0.00000 -0.00081 54 2PX 0.00000 -0.00004 0.00000 0.00000 0.00000 55 2PY -0.00006 0.00000 -0.00019 0.00000 -0.00121 56 2PZ 0.00000 0.00000 0.00000 -0.00002 0.00000 57 3S -0.00081 0.00000 -0.00121 0.00000 -0.00459 58 3PX 0.00000 -0.00162 0.00000 0.00000 0.00000 59 3PY -0.00055 0.00000 0.00107 0.00000 -0.00156 60 3PZ 0.00000 0.00000 0.00000 -0.00080 0.00000 61 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 62 4YY 0.00000 0.00000 0.00001 0.00000 0.00002 63 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 64 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 65 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 67 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 68 2S 0.00002 0.00000 0.00006 0.00000 0.00022 69 9 C 1S -0.00020 -0.00048 -0.00024 -0.00060 0.00005 70 2S 0.00515 0.00950 0.00422 0.01170 0.00399 71 2PX 0.01324 0.00746 0.00781 0.02214 0.01012 72 2PY 0.00379 0.00741 -0.00061 0.00602 0.00280 73 2PZ 0.01221 0.01973 0.00704 0.00976 0.01394 74 3S 0.00640 0.00841 0.01038 0.01788 -0.00481 75 3PX 0.01064 -0.00106 0.00493 0.01371 0.00531 76 3PY 0.00174 0.00521 0.00043 0.00355 0.00027 77 3PZ 0.01010 0.01286 0.00454 -0.00081 0.00942 78 4XX 0.00020 -0.00058 0.00027 0.00082 0.00088 79 4YY -0.00018 -0.00015 -0.00006 -0.00016 -0.00034 80 4ZZ 0.00030 0.00102 0.00026 -0.00066 -0.00007 81 4XY 0.00045 0.00019 0.00003 0.00068 0.00016 82 4XZ 0.00120 0.00038 0.00065 0.00044 0.00057 83 4YZ 0.00043 0.00066 0.00003 0.00025 0.00022 84 10 H 1S -0.00018 -0.00038 -0.00001 -0.00009 -0.00075 85 2S -0.00314 -0.00668 -0.00010 -0.00069 -0.00116 86 11 H 1S -0.00014 -0.00004 0.00000 -0.00050 -0.00280 87 2S -0.00270 0.00023 -0.00010 -0.00842 -0.01128 88 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 89 2S -0.00002 -0.00002 -0.00008 -0.00002 -0.00029 90 2PX -0.00002 -0.00001 -0.00002 -0.00002 0.00030 91 2PY -0.00011 -0.00011 -0.00027 -0.00006 -0.00115 92 2PZ -0.00002 -0.00002 -0.00003 -0.00001 -0.00023 93 3S -0.00053 0.00050 -0.00351 -0.00080 -0.00131 94 3PX -0.00025 0.00003 -0.00004 -0.00033 0.00110 95 3PY -0.00230 -0.00058 -0.00465 -0.00096 -0.00452 96 3PZ -0.00033 0.00000 -0.00042 0.00003 -0.00082 97 4XX 0.00000 0.00000 0.00000 0.00000 -0.00002 98 4YY 0.00000 0.00000 0.00001 0.00001 0.00002 99 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 100 4XY 0.00001 0.00000 0.00002 0.00001 0.00001 101 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00001 102 4YZ 0.00000 0.00001 0.00001 0.00001 0.00004 103 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00005 104 2S 0.00008 0.00000 0.00015 0.00016 0.00050 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00003 106 2S 0.00006 0.00021 0.00010 0.00001 -0.00016 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00005 108 2S -0.00009 0.00020 0.00001 0.00006 -0.00009 109 2PX 0.00003 0.00187 0.00027 0.00077 -0.00022 110 2PY -0.00002 0.00023 -0.00001 0.00006 -0.00008 111 2PZ 0.00007 0.00122 0.00012 0.00032 0.00158 112 3S -0.00004 0.00261 0.00094 -0.00004 0.00281 113 3PX -0.00126 0.00615 0.00128 0.00484 -0.00116 114 3PY -0.00033 0.00210 0.00017 0.00095 -0.00008 115 3PZ 0.00072 0.00580 0.00057 0.00028 0.00367 116 4XX 0.00003 0.00008 0.00002 0.00007 0.00050 117 4YY 0.00000 -0.00001 0.00000 0.00000 -0.00008 118 4ZZ 0.00000 -0.00002 0.00000 -0.00001 -0.00023 119 4XY 0.00001 0.00002 0.00000 0.00001 -0.00001 120 4XZ 0.00003 0.00011 0.00001 0.00003 0.00008 121 4YZ 0.00001 0.00001 0.00000 0.00000 0.00002 122 16 H 1S -0.00002 -0.00004 0.00000 -0.00005 -0.00085 123 2S -0.00061 -0.00176 -0.00001 -0.00193 -0.00506 124 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 125 2S 0.00000 0.00000 0.00000 0.00000 -0.00003 126 2PX -0.00001 0.00000 0.00000 0.00000 0.00006 127 2PY 0.00000 -0.00001 -0.00001 0.00000 -0.00004 128 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00007 129 3S -0.00024 -0.00001 -0.00053 0.00006 -0.00063 130 3PX -0.00037 -0.00015 -0.00023 -0.00034 0.00011 131 3PY -0.00005 0.00030 -0.00029 0.00026 -0.00066 132 3PZ -0.00029 -0.00014 -0.00013 0.00002 -0.00047 133 4XX 0.00000 0.00000 0.00000 0.00000 0.00001 134 4YY 0.00000 0.00000 0.00000 0.00000 0.00001 135 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4YZ 0.00000 0.00000 0.00000 0.00000 0.00001 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00001 140 2S 0.00001 0.00005 0.00004 0.00005 0.00013 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00003 143 2PX 0.00000 -0.00001 0.00000 0.00000 -0.00041 144 2PY 0.00000 0.00000 0.00000 0.00000 -0.00001 145 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00010 146 3S -0.00007 -0.00041 0.00000 0.00000 -0.00081 147 3PX -0.00022 -0.00135 -0.00002 -0.00006 -0.00356 148 3PY 0.00000 0.00001 -0.00001 0.00000 -0.00006 149 3PZ -0.00002 -0.00019 0.00000 0.00006 -0.00072 150 4XX 0.00000 0.00001 0.00000 0.00000 0.00001 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00002 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00002 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 -0.00003 162 3PX 0.00000 0.00000 0.00000 0.00000 -0.00007 163 3PY 0.00000 0.00000 0.00000 0.00000 -0.00004 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 0.00001 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00001 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00002 0.00000 0.00000 0.00004 177 3PX 0.00001 0.00001 0.00000 0.00000 0.00000 178 3PY 0.00000 0.00005 0.00000 0.00000 0.00003 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 -0.00003 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00001 0.00000 0.00000 0.00009 41 42 43 44 45 41 3PX 0.13456 42 3PY 0.00000 0.05435 43 3PZ 0.00000 0.00000 0.08690 44 4XX 0.00000 0.00000 0.00000 0.00127 45 4YY 0.00000 0.00000 0.00000 -0.00013 0.00185 46 4ZZ 0.00000 0.00000 0.00000 0.00007 -0.00028 47 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 48 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 49 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 50 6 H 1S 0.00016 0.04339 0.00025 -0.00100 0.00749 51 2S -0.00061 0.04211 -0.00009 -0.00193 0.00678 52 7 C 1S 0.00000 0.00010 0.00000 0.00000 0.00000 53 2S 0.00000 -0.00055 0.00000 0.00000 0.00000 54 2PX -0.00162 0.00000 0.00000 0.00000 0.00000 55 2PY 0.00000 0.00107 0.00000 0.00000 0.00001 56 2PZ 0.00000 0.00000 -0.00080 0.00000 0.00000 57 3S 0.00000 -0.00156 0.00000 0.00000 0.00002 58 3PX -0.00866 0.00000 0.00000 0.00000 0.00000 59 3PY 0.00000 0.00452 0.00000 0.00000 -0.00003 60 3PZ 0.00000 0.00000 -0.00321 0.00000 0.00000 61 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 62 4YY 0.00000 -0.00003 0.00000 0.00000 0.00000 63 4ZZ 0.00000 -0.00002 0.00000 0.00000 0.00000 64 4XY -0.00001 0.00000 0.00000 0.00000 0.00000 65 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 4YZ 0.00000 0.00000 -0.00004 0.00000 0.00000 67 8 H 1S 0.00000 -0.00002 0.00000 0.00000 0.00000 68 2S 0.00003 -0.00012 0.00001 0.00000 0.00000 69 9 C 1S -0.00012 -0.00021 -0.00038 -0.00002 0.00001 70 2S 0.00415 0.00297 0.00604 0.00042 -0.00028 71 2PX -0.00082 0.00089 0.01048 -0.00061 -0.00027 72 2PY 0.00414 -0.00148 0.00316 0.00035 -0.00006 73 2PZ 0.00690 0.00184 -0.00057 0.00093 -0.00028 74 3S -0.00512 0.00621 0.01216 0.00131 -0.00156 75 3PX -0.00501 0.00062 0.00828 -0.00060 -0.00062 76 3PY 0.00441 -0.00069 0.00153 0.00037 -0.00036 77 3PZ 0.00661 0.00083 -0.00343 0.00097 -0.00059 78 4XX -0.00132 0.00038 0.00124 0.00005 -0.00002 79 4YY 0.00012 -0.00035 -0.00033 -0.00003 0.00002 80 4ZZ 0.00173 0.00001 -0.00087 -0.00010 -0.00004 81 4XY 0.00000 0.00014 0.00018 -0.00003 0.00000 82 4XZ 0.00000 0.00006 0.00000 -0.00003 -0.00002 83 4YZ 0.00015 0.00011 0.00000 0.00001 0.00000 84 10 H 1S -0.00497 0.00025 -0.00047 0.00013 0.00000 85 2S -0.01772 0.00063 0.00030 0.00093 -0.00012 86 11 H 1S 0.00059 0.00001 -0.00303 -0.00001 0.00000 87 2S 0.00426 -0.00019 -0.01434 -0.00034 -0.00014 88 12 C 1S 0.00000 0.00004 0.00003 0.00000 0.00000 89 2S -0.00019 -0.00092 -0.00047 0.00000 0.00001 90 2PX 0.00004 0.00112 -0.00065 0.00000 0.00000 91 2PY -0.00077 -0.00109 -0.00094 -0.00001 0.00005 92 2PZ -0.00017 0.00066 0.00002 0.00000 0.00000 93 3S 0.00307 -0.00620 -0.00390 -0.00008 0.00027 94 3PX 0.00056 0.00211 -0.00137 0.00000 -0.00001 95 3PY -0.00001 -0.00397 -0.00237 -0.00013 0.00057 96 3PZ -0.00002 0.00054 0.00059 -0.00002 0.00002 97 4XX 0.00010 0.00000 -0.00002 0.00000 0.00000 98 4YY -0.00010 0.00004 0.00003 0.00000 0.00000 99 4ZZ -0.00008 -0.00003 0.00003 0.00000 0.00000 100 4XY 0.00000 0.00000 0.00006 0.00000 0.00000 101 4XZ 0.00000 0.00002 0.00000 0.00000 0.00000 102 4YZ 0.00005 0.00002 0.00000 0.00000 0.00000 103 13 H 1S 0.00000 -0.00004 0.00007 0.00000 0.00000 104 2S -0.00026 -0.00014 0.00109 0.00001 -0.00002 105 14 H 1S 0.00020 -0.00011 0.00004 0.00000 0.00000 106 2S 0.00182 -0.00020 0.00028 0.00000 -0.00002 107 15 C 1S 0.00000 -0.00001 -0.00008 0.00000 0.00000 108 2S 0.00035 0.00032 0.00091 0.00002 0.00000 109 2PX 0.00670 0.00053 0.00443 0.00007 -0.00001 110 2PY 0.00092 0.00001 0.00082 0.00002 0.00000 111 2PZ 0.00586 0.00076 0.00060 0.00005 0.00000 112 3S 0.00466 0.00185 0.00257 0.00019 -0.00014 113 3PX 0.00920 0.00120 0.00995 0.00050 -0.00024 114 3PY 0.00427 -0.00005 0.00215 0.00013 0.00000 115 3PZ 0.01035 0.00121 -0.00078 0.00022 -0.00005 116 4XX 0.00053 0.00019 0.00046 0.00000 0.00000 117 4YY -0.00013 -0.00002 -0.00009 0.00000 0.00000 118 4ZZ -0.00020 -0.00011 -0.00011 0.00000 0.00000 119 4XY 0.00005 0.00004 0.00003 0.00000 0.00000 120 4XZ 0.00028 0.00004 0.00003 0.00000 0.00000 121 4YZ 0.00007 0.00000 0.00000 0.00000 0.00000 122 16 H 1S -0.00135 -0.00001 -0.00053 0.00000 0.00000 123 2S -0.00781 -0.00004 -0.00548 -0.00003 -0.00001 124 17 C 1S 0.00001 0.00000 0.00000 0.00000 0.00000 125 2S -0.00021 -0.00001 -0.00009 0.00000 0.00000 126 2PX -0.00027 0.00037 0.00001 0.00000 0.00000 127 2PY -0.00041 0.00007 -0.00034 0.00000 0.00000 128 2PZ -0.00043 0.00017 0.00000 0.00000 0.00000 129 3S -0.00028 -0.00030 0.00002 0.00000 0.00002 130 3PX -0.00120 0.00116 -0.00058 0.00001 -0.00002 131 3PY 0.00185 -0.00036 0.00013 0.00000 0.00003 132 3PZ -0.00121 0.00043 -0.00007 0.00003 -0.00001 133 4XX -0.00002 0.00003 0.00000 0.00000 0.00000 134 4YY 0.00001 0.00001 0.00000 0.00000 0.00000 135 4ZZ 0.00001 -0.00002 0.00000 0.00000 0.00000 136 4XY 0.00006 0.00002 0.00004 0.00000 0.00000 137 4XZ -0.00002 0.00001 0.00000 0.00000 0.00000 138 4YZ 0.00006 0.00001 0.00001 0.00000 0.00000 139 18 H 1S 0.00004 -0.00001 0.00002 0.00000 0.00000 140 2S 0.00076 -0.00011 0.00058 0.00000 0.00000 141 19 O 1S 0.00001 0.00000 0.00000 0.00000 0.00000 142 2S -0.00020 0.00002 -0.00005 0.00000 0.00000 143 2PX -0.00134 -0.00007 -0.00013 0.00000 0.00000 144 2PY 0.00003 -0.00003 0.00000 0.00000 0.00000 145 2PZ -0.00016 -0.00002 0.00014 0.00000 0.00000 146 3S -0.00262 0.00001 -0.00035 0.00000 0.00000 147 3PX -0.00698 -0.00044 -0.00073 0.00005 0.00000 148 3PY 0.00021 -0.00023 -0.00002 0.00000 0.00000 149 3PZ -0.00104 -0.00009 0.00126 0.00001 0.00000 150 4XX 0.00023 0.00000 0.00002 0.00000 0.00000 151 4YY -0.00004 0.00000 0.00000 0.00000 0.00000 152 4ZZ -0.00002 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00001 -0.00001 0.00000 0.00000 0.00000 154 4XZ 0.00002 0.00000 -0.00001 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 0.00001 -0.00001 0.00000 0.00000 0.00000 158 2PX 0.00001 -0.00002 0.00000 0.00000 0.00000 159 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00012 -0.00004 0.00000 0.00000 0.00000 162 3PX 0.00007 -0.00023 0.00000 0.00000 0.00000 163 3PY 0.00013 0.00002 0.00002 0.00000 0.00000 164 3PZ 0.00001 -0.00002 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 0.00001 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00002 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00003 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00019 0.00001 0.00001 0.00000 0.00000 177 3PX 0.00011 -0.00007 0.00000 0.00000 0.00000 178 3PY 0.00052 0.00000 0.00001 0.00000 0.00000 179 3PZ -0.00001 0.00000 0.00006 0.00000 0.00000 180 4XX -0.00001 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 -0.00004 -0.00002 -0.00001 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00008 0.00007 -0.00002 0.00000 0.00000 46 47 48 49 50 46 4ZZ 0.00134 47 4XY 0.00000 0.00038 48 4XZ 0.00000 0.00000 0.00090 49 4YZ 0.00000 0.00000 0.00000 0.00071 50 6 H 1S -0.00121 0.00018 0.00001 0.00002 0.21689 51 2S -0.00286 0.00003 0.00000 0.00001 0.11507 52 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 53 2S 0.00000 0.00000 0.00000 0.00000 0.00000 54 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 55 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 56 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 57 3S 0.00001 0.00000 0.00000 0.00000 0.00000 58 3PX 0.00000 -0.00001 0.00000 0.00000 0.00000 59 3PY -0.00002 0.00000 0.00000 0.00000 -0.00002 60 3PZ 0.00000 0.00000 0.00000 -0.00004 0.00000 61 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 62 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 63 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 65 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 67 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 68 2S 0.00000 0.00000 0.00000 0.00000 0.00000 69 9 C 1S -0.00001 -0.00002 -0.00007 -0.00003 0.00000 70 2S 0.00022 0.00037 0.00108 0.00043 -0.00012 71 2PX 0.00060 0.00020 0.00032 0.00066 -0.00015 72 2PY 0.00030 0.00004 0.00059 0.00003 -0.00028 73 2PZ -0.00077 0.00058 0.00036 0.00028 -0.00011 74 3S 0.00064 0.00018 0.00073 0.00027 -0.00433 75 3PX 0.00079 0.00000 0.00000 0.00019 -0.00193 76 3PY 0.00021 0.00009 0.00017 0.00005 -0.00115 77 3PZ -0.00074 0.00014 0.00000 0.00000 -0.00145 78 4XX -0.00009 -0.00001 0.00003 -0.00001 0.00000 79 4YY -0.00003 0.00000 -0.00004 0.00000 0.00004 80 4ZZ 0.00005 -0.00002 -0.00001 -0.00002 -0.00001 81 4XY 0.00000 0.00000 0.00000 0.00000 0.00002 82 4XZ -0.00002 0.00002 0.00002 0.00001 0.00000 83 4YZ -0.00003 0.00000 0.00000 0.00000 0.00002 84 10 H 1S -0.00001 0.00000 0.00003 0.00000 0.00000 85 2S -0.00025 -0.00002 0.00001 -0.00001 -0.00016 86 11 H 1S 0.00011 0.00000 0.00002 0.00000 -0.00001 87 2S 0.00103 -0.00001 -0.00005 -0.00003 -0.00039 88 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 89 2S 0.00000 0.00000 0.00000 0.00000 0.00000 90 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 91 2PY -0.00001 0.00003 -0.00001 0.00002 0.00000 92 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 3S -0.00006 0.00004 0.00000 0.00003 0.00008 94 3PX -0.00001 0.00000 0.00000 0.00001 0.00000 95 3PY -0.00012 0.00010 -0.00006 0.00008 0.00023 96 3PZ 0.00001 0.00001 0.00000 0.00000 0.00000 97 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 99 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 101 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 0.00000 0.00000 0.00000 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 106 2S 0.00001 -0.00001 0.00000 0.00000 0.00000 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00003 0.00000 0.00000 109 2PX 0.00001 0.00002 0.00011 0.00001 -0.00001 110 2PY 0.00000 0.00000 0.00002 0.00000 -0.00001 111 2PZ 0.00000 0.00001 0.00002 0.00001 0.00000 112 3S 0.00001 0.00002 0.00013 0.00000 -0.00045 113 3PX 0.00010 0.00004 0.00025 0.00006 -0.00066 114 3PY -0.00004 0.00000 0.00005 -0.00001 0.00017 115 3PZ -0.00002 0.00004 0.00003 0.00000 -0.00012 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S 0.00000 0.00000 0.00001 0.00000 0.00000 123 2S 0.00011 0.00000 0.00006 0.00000 -0.00007 124 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 125 2S 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 127 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 128 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 3S 0.00000 0.00000 0.00001 0.00001 0.00001 130 3PX 0.00004 0.00001 0.00005 0.00001 0.00000 131 3PY -0.00003 0.00000 -0.00003 0.00000 0.00003 132 3PZ 0.00001 0.00001 0.00001 0.00000 0.00000 133 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4YZ 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 0.00000 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 -0.00001 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 0.00000 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 51 52 53 54 55 51 2S 0.16312 52 7 C 1S 0.00000 2.05494 53 2S 0.00002 -0.01338 0.32600 54 2PX 0.00000 0.00000 0.00000 0.34895 55 2PY 0.00006 0.00000 0.00000 0.00000 0.41139 56 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 57 3S 0.00022 -0.03626 0.23450 0.00000 0.00000 58 3PX 0.00003 0.00000 0.00000 0.11485 0.00000 59 3PY -0.00012 0.00000 0.00000 0.00000 0.07561 60 3PZ 0.00001 0.00000 0.00000 0.00000 0.00000 61 4XX 0.00000 -0.00092 -0.00901 0.00000 0.00000 62 4YY 0.00000 -0.00146 0.00117 0.00000 0.00000 63 4ZZ 0.00000 -0.00109 -0.00530 0.00000 0.00000 64 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 65 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 67 8 H 1S 0.00000 -0.00197 0.03104 0.00168 0.09662 68 2S 0.00000 -0.00122 0.01265 0.00087 0.06397 69 9 C 1S 0.00017 0.00000 0.00000 0.00000 0.00000 70 2S -0.00246 0.00000 -0.00002 -0.00002 -0.00008 71 2PX -0.00265 0.00000 -0.00002 -0.00001 -0.00002 72 2PY -0.00439 0.00000 -0.00011 -0.00011 -0.00027 73 2PZ -0.00188 0.00000 -0.00002 -0.00002 -0.00003 74 3S -0.01673 -0.00001 -0.00053 0.00050 -0.00351 75 3PX -0.00635 0.00000 -0.00025 0.00003 -0.00004 76 3PY -0.00515 0.00009 -0.00230 -0.00058 -0.00465 77 3PZ -0.00463 0.00000 -0.00033 0.00000 -0.00042 78 4XX -0.00017 0.00000 0.00000 0.00000 0.00000 79 4YY 0.00064 0.00000 0.00000 0.00000 0.00001 80 4ZZ -0.00018 0.00000 0.00000 0.00000 0.00000 81 4XY 0.00005 0.00000 0.00001 0.00000 0.00002 82 4XZ -0.00006 0.00000 0.00000 0.00000 0.00000 83 4YZ 0.00005 0.00000 0.00000 0.00001 0.00001 84 10 H 1S -0.00010 0.00000 0.00000 0.00000 0.00000 85 2S -0.00027 0.00000 0.00006 0.00021 0.00010 86 11 H 1S -0.00029 0.00000 0.00000 0.00000 0.00000 87 2S -0.00053 0.00000 0.00008 0.00000 0.00015 88 12 C 1S 0.00000 0.00000 -0.00020 -0.00048 -0.00024 89 2S 0.00006 -0.00020 0.00515 0.00949 0.00422 90 2PX 0.00002 -0.00064 0.01324 0.00745 0.00782 91 2PY 0.00028 -0.00019 0.00380 0.00742 -0.00061 92 2PZ 0.00002 -0.00062 0.01221 0.01972 0.00706 93 3S 0.00133 0.00028 0.00640 0.00840 0.01039 94 3PX 0.00008 -0.00067 0.01063 -0.00107 0.00493 95 3PY 0.00299 -0.00022 0.00175 0.00522 0.00043 96 3PZ 0.00013 -0.00061 0.01010 0.01285 0.00454 97 4XX 0.00000 -0.00001 0.00020 -0.00058 0.00027 98 4YY 0.00000 0.00000 -0.00018 -0.00015 -0.00006 99 4ZZ 0.00000 -0.00001 0.00030 0.00102 0.00026 100 4XY 0.00000 -0.00003 0.00045 0.00019 0.00003 101 4XZ 0.00000 -0.00007 0.00120 0.00038 0.00065 102 4YZ 0.00000 -0.00003 0.00043 0.00066 0.00003 103 13 H 1S 0.00000 0.00000 -0.00014 -0.00004 0.00000 104 2S -0.00016 0.00018 -0.00271 0.00023 -0.00011 105 14 H 1S 0.00000 0.00000 -0.00018 -0.00038 -0.00001 106 2S -0.00010 0.00017 -0.00314 -0.00668 -0.00010 107 15 C 1S 0.00001 0.00000 0.00000 0.00000 0.00000 108 2S -0.00014 0.00000 0.00000 0.00000 0.00000 109 2PX -0.00057 0.00000 -0.00001 0.00000 0.00000 110 2PY -0.00047 0.00000 0.00000 -0.00001 -0.00001 111 2PZ -0.00021 0.00000 0.00000 0.00000 0.00000 112 3S -0.00291 0.00000 -0.00024 -0.00001 -0.00053 113 3PX -0.00300 0.00001 -0.00037 -0.00015 -0.00023 114 3PY 0.00034 -0.00001 -0.00005 0.00030 -0.00029 115 3PZ -0.00089 0.00000 -0.00029 -0.00014 -0.00013 116 4XX -0.00003 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00005 0.00000 0.00000 0.00000 0.00000 118 4ZZ -0.00001 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00001 0.00000 0.00000 0.00000 0.00000 122 16 H 1S -0.00013 0.00000 0.00000 0.00000 0.00000 123 2S 0.00021 0.00000 0.00001 0.00005 0.00004 124 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 125 2S 0.00001 0.00000 -0.00009 0.00020 0.00001 126 2PX 0.00000 0.00000 0.00003 0.00187 0.00027 127 2PY 0.00004 0.00000 -0.00002 0.00023 -0.00001 128 2PZ 0.00000 0.00000 0.00007 0.00122 0.00012 129 3S 0.00040 0.00014 -0.00004 0.00261 0.00095 130 3PX 0.00007 0.00009 -0.00126 0.00616 0.00128 131 3PY 0.00037 0.00000 -0.00033 0.00210 0.00017 132 3PZ 0.00002 0.00002 0.00072 0.00580 0.00057 133 4XX 0.00000 0.00000 0.00003 0.00008 0.00002 134 4YY 0.00000 0.00000 0.00000 -0.00001 0.00000 135 4ZZ 0.00000 0.00000 0.00000 -0.00002 0.00000 136 4XY 0.00000 0.00000 0.00001 0.00002 0.00000 137 4XZ 0.00000 0.00000 0.00003 0.00011 0.00001 138 4YZ 0.00000 0.00000 0.00001 0.00001 0.00000 139 18 H 1S 0.00000 0.00000 -0.00002 -0.00004 0.00000 140 2S -0.00004 0.00003 -0.00061 -0.00176 -0.00001 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00004 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00004 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00036 0.00000 0.00000 0.00000 0.00000 147 3PX 0.00001 0.00000 0.00000 0.00000 0.00000 148 3PY 0.00025 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00003 0.00000 0.00000 0.00000 0.00000 150 4XX -0.00001 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 -0.00001 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 -0.00007 -0.00041 0.00000 162 3PX -0.00001 0.00000 -0.00022 -0.00135 -0.00002 163 3PY 0.00000 0.00000 0.00000 0.00001 -0.00001 164 3PZ 0.00000 0.00000 -0.00002 -0.00019 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00001 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 0.00000 0.00002 0.00000 177 3PX -0.00002 0.00000 0.00001 0.00001 0.00000 178 3PY -0.00003 0.00000 0.00000 0.00005 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 56 57 58 59 60 56 2PZ 0.39186 57 3S 0.00000 0.29355 58 3PX 0.00000 0.00000 0.13459 59 3PY 0.00000 0.00000 0.00000 0.05435 60 3PZ 0.09432 0.00000 0.00000 0.00000 0.08688 61 4XX 0.00000 -0.00634 0.00000 0.00000 0.00000 62 4YY 0.00000 0.00257 0.00000 0.00000 0.00000 63 4ZZ 0.00000 -0.00501 0.00000 0.00000 0.00000 64 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 65 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 67 8 H 1S 0.00025 0.04211 0.00016 0.04339 0.00025 68 2S -0.00001 0.02298 -0.00061 0.04211 -0.00009 69 9 C 1S 0.00000 0.00000 0.00000 0.00004 0.00003 70 2S -0.00002 -0.00029 -0.00019 -0.00092 -0.00047 71 2PX -0.00002 0.00030 0.00004 0.00112 -0.00065 72 2PY -0.00006 -0.00115 -0.00078 -0.00110 -0.00094 73 2PZ -0.00001 -0.00023 -0.00017 0.00066 0.00002 74 3S -0.00080 -0.00131 0.00307 -0.00621 -0.00390 75 3PX -0.00033 0.00110 0.00056 0.00211 -0.00137 76 3PY -0.00096 -0.00452 -0.00001 -0.00398 -0.00237 77 3PZ 0.00003 -0.00082 -0.00001 0.00054 0.00059 78 4XX 0.00000 -0.00002 0.00010 0.00000 -0.00002 79 4YY 0.00001 0.00002 -0.00010 0.00004 0.00003 80 4ZZ 0.00000 0.00001 -0.00008 -0.00003 0.00003 81 4XY 0.00001 0.00001 0.00000 0.00000 0.00006 82 4XZ 0.00000 -0.00001 0.00000 0.00002 0.00000 83 4YZ 0.00000 0.00004 0.00005 0.00002 0.00000 84 10 H 1S 0.00000 -0.00003 0.00020 -0.00011 0.00004 85 2S 0.00001 -0.00016 0.00183 -0.00020 0.00028 86 11 H 1S 0.00000 0.00005 0.00000 -0.00004 0.00007 87 2S 0.00016 0.00050 -0.00026 -0.00014 0.00109 88 12 C 1S -0.00060 0.00005 -0.00012 -0.00021 -0.00038 89 2S 0.01170 0.00399 0.00415 0.00297 0.00604 90 2PX 0.02213 0.01012 -0.00083 0.00089 0.01048 91 2PY 0.00603 0.00280 0.00414 -0.00148 0.00316 92 2PZ 0.00976 0.01394 0.00690 0.00184 -0.00057 93 3S 0.01788 -0.00481 -0.00513 0.00622 0.01216 94 3PX 0.01370 0.00531 -0.00501 0.00062 0.00828 95 3PY 0.00356 0.00027 0.00442 -0.00069 0.00153 96 3PZ -0.00081 0.00943 0.00661 0.00083 -0.00343 97 4XX 0.00081 0.00088 -0.00132 0.00038 0.00124 98 4YY -0.00016 -0.00033 0.00012 -0.00035 -0.00033 99 4ZZ -0.00066 -0.00007 0.00173 0.00001 -0.00087 100 4XY 0.00068 0.00016 0.00000 0.00014 0.00018 101 4XZ 0.00044 0.00057 0.00000 0.00006 0.00000 102 4YZ 0.00025 0.00022 0.00015 0.00011 0.00000 103 13 H 1S -0.00050 -0.00280 0.00059 0.00001 -0.00303 104 2S -0.00843 -0.01128 0.00426 -0.00019 -0.01435 105 14 H 1S -0.00009 -0.00075 -0.00496 0.00025 -0.00047 106 2S -0.00069 -0.00116 -0.01771 0.00063 0.00030 107 15 C 1S 0.00000 0.00000 0.00001 0.00000 0.00000 108 2S 0.00000 -0.00003 -0.00021 -0.00001 -0.00009 109 2PX 0.00000 0.00006 -0.00027 0.00037 0.00001 110 2PY 0.00000 -0.00004 -0.00041 0.00007 -0.00034 111 2PZ 0.00000 -0.00007 -0.00043 0.00017 0.00000 112 3S 0.00006 -0.00063 -0.00028 -0.00030 0.00002 113 3PX -0.00034 0.00011 -0.00120 0.00116 -0.00058 114 3PY 0.00025 -0.00066 0.00185 -0.00036 0.00013 115 3PZ 0.00002 -0.00048 -0.00121 0.00043 -0.00008 116 4XX 0.00000 0.00001 -0.00002 0.00003 0.00000 117 4YY 0.00000 0.00001 0.00001 0.00001 0.00000 118 4ZZ 0.00000 0.00000 0.00001 -0.00002 0.00000 119 4XY 0.00000 0.00000 0.00006 0.00002 0.00004 120 4XZ 0.00000 0.00000 -0.00002 0.00001 0.00000 121 4YZ 0.00000 0.00001 0.00006 0.00001 0.00001 122 16 H 1S 0.00000 0.00001 0.00004 -0.00001 0.00002 123 2S 0.00005 0.00013 0.00076 -0.00011 0.00058 124 17 C 1S 0.00000 0.00005 0.00000 -0.00001 -0.00008 125 2S 0.00006 -0.00009 0.00035 0.00032 0.00091 126 2PX 0.00077 -0.00022 0.00670 0.00053 0.00443 127 2PY 0.00006 -0.00008 0.00093 0.00001 0.00082 128 2PZ 0.00032 0.00158 0.00586 0.00076 0.00060 129 3S -0.00004 0.00281 0.00467 0.00185 0.00257 130 3PX 0.00484 -0.00116 0.00921 0.00120 0.00994 131 3PY 0.00095 -0.00008 0.00428 -0.00005 0.00215 132 3PZ 0.00028 0.00367 0.01035 0.00121 -0.00078 133 4XX 0.00007 0.00050 0.00053 0.00019 0.00046 134 4YY 0.00000 -0.00008 -0.00013 -0.00002 -0.00009 135 4ZZ -0.00001 -0.00023 -0.00020 -0.00011 -0.00011 136 4XY 0.00001 -0.00001 0.00005 0.00004 0.00003 137 4XZ 0.00003 0.00008 0.00028 0.00004 0.00003 138 4YZ 0.00000 0.00002 0.00007 0.00000 0.00000 139 18 H 1S -0.00005 -0.00085 -0.00135 -0.00001 -0.00053 140 2S -0.00194 -0.00506 -0.00782 -0.00004 -0.00547 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00001 -0.00001 0.00000 143 2PX 0.00000 0.00000 0.00001 -0.00002 0.00000 144 2PY 0.00000 0.00000 0.00001 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 -0.00003 0.00012 -0.00004 0.00000 147 3PX 0.00000 -0.00007 0.00007 -0.00023 0.00000 148 3PY 0.00000 -0.00004 0.00013 0.00002 0.00002 149 3PZ 0.00000 0.00000 0.00001 -0.00002 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 0.00001 0.00000 0.00000 157 2S 0.00000 0.00003 -0.00020 0.00002 -0.00005 158 2PX 0.00000 -0.00041 -0.00134 -0.00007 -0.00013 159 2PY 0.00000 -0.00001 0.00003 -0.00003 0.00000 160 2PZ 0.00000 -0.00010 -0.00016 -0.00002 0.00014 161 3S 0.00000 -0.00081 -0.00262 0.00001 -0.00035 162 3PX -0.00006 -0.00356 -0.00698 -0.00044 -0.00072 163 3PY 0.00000 -0.00006 0.00021 -0.00023 -0.00002 164 3PZ 0.00006 -0.00072 -0.00104 -0.00009 0.00126 165 4XX 0.00000 0.00001 0.00023 0.00000 0.00002 166 4YY 0.00000 0.00002 -0.00004 0.00000 0.00000 167 4ZZ 0.00000 0.00002 -0.00002 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00001 -0.00001 0.00000 169 4XZ 0.00000 0.00000 0.00002 0.00000 -0.00001 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 0.00001 0.00000 0.00000 173 2PX 0.00000 0.00001 0.00002 0.00000 0.00000 174 2PY 0.00000 0.00001 0.00003 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00004 0.00019 0.00001 0.00001 177 3PX 0.00000 0.00000 0.00011 -0.00007 0.00000 178 3PY 0.00000 0.00003 0.00052 0.00000 0.00001 179 3PZ 0.00000 0.00000 -0.00001 0.00000 0.00006 180 4XX 0.00000 0.00000 -0.00001 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 -0.00003 -0.00004 -0.00002 -0.00001 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00009 0.00008 0.00007 -0.00002 61 62 63 64 65 61 4XX 0.00127 62 4YY -0.00013 0.00185 63 4ZZ 0.00007 -0.00028 0.00134 64 4XY 0.00000 0.00000 0.00000 0.00038 65 4XZ 0.00000 0.00000 0.00000 0.00000 0.00090 66 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 67 8 H 1S -0.00100 0.00749 -0.00121 0.00018 0.00001 68 2S -0.00193 0.00678 -0.00286 0.00003 0.00000 69 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 70 2S 0.00000 0.00001 0.00000 0.00000 0.00000 71 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 72 2PY -0.00001 0.00005 -0.00001 0.00003 -0.00001 73 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 74 3S -0.00008 0.00027 -0.00006 0.00004 0.00000 75 3PX 0.00000 -0.00001 -0.00001 0.00000 0.00000 76 3PY -0.00013 0.00057 -0.00012 0.00010 -0.00006 77 3PZ -0.00002 0.00002 0.00001 0.00001 0.00000 78 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 80 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 82 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 83 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 84 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 -0.00002 0.00001 -0.00001 0.00000 86 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 87 2S 0.00001 -0.00002 0.00000 0.00000 0.00000 88 12 C 1S -0.00002 0.00001 -0.00001 -0.00002 -0.00007 89 2S 0.00042 -0.00028 0.00022 0.00037 0.00108 90 2PX -0.00061 -0.00027 0.00060 0.00020 0.00032 91 2PY 0.00035 -0.00006 0.00030 0.00004 0.00059 92 2PZ 0.00093 -0.00028 -0.00077 0.00058 0.00036 93 3S 0.00131 -0.00156 0.00064 0.00018 0.00073 94 3PX -0.00060 -0.00062 0.00079 0.00000 0.00000 95 3PY 0.00037 -0.00036 0.00021 0.00009 0.00017 96 3PZ 0.00097 -0.00059 -0.00074 0.00014 0.00000 97 4XX 0.00005 -0.00002 -0.00009 -0.00001 0.00003 98 4YY -0.00003 0.00002 -0.00003 0.00000 -0.00004 99 4ZZ -0.00010 -0.00004 0.00005 -0.00002 -0.00001 100 4XY -0.00003 0.00000 0.00000 0.00000 0.00000 101 4XZ -0.00003 -0.00002 -0.00002 0.00002 0.00002 102 4YZ 0.00001 0.00000 -0.00003 0.00000 0.00000 103 13 H 1S -0.00001 0.00000 0.00011 0.00000 0.00002 104 2S -0.00034 -0.00014 0.00103 -0.00001 -0.00005 105 14 H 1S 0.00013 0.00000 -0.00001 0.00000 0.00003 106 2S 0.00093 -0.00012 -0.00025 -0.00002 0.00001 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 0.00002 0.00000 0.00000 0.00001 113 3PX 0.00001 -0.00002 0.00004 0.00001 0.00005 114 3PY 0.00000 0.00003 -0.00003 0.00000 -0.00003 115 3PZ 0.00003 -0.00001 0.00001 0.00001 0.00001 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 125 2S 0.00002 0.00000 0.00000 0.00000 0.00003 126 2PX 0.00007 -0.00001 0.00001 0.00002 0.00011 127 2PY 0.00002 0.00000 0.00000 0.00000 0.00002 128 2PZ 0.00005 0.00000 0.00000 0.00001 0.00002 129 3S 0.00019 -0.00014 0.00001 0.00002 0.00013 130 3PX 0.00050 -0.00024 0.00010 0.00004 0.00025 131 3PY 0.00013 0.00000 -0.00004 0.00000 0.00005 132 3PZ 0.00022 -0.00005 -0.00002 0.00004 0.00003 133 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00001 140 2S -0.00003 -0.00001 0.00011 0.00000 0.00006 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 0.00005 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00001 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 66 67 68 69 70 66 4YZ 0.00071 67 8 H 1S 0.00002 0.21689 68 2S 0.00001 0.11507 0.16313 69 9 C 1S 0.00000 0.00000 0.00000 2.05093 70 2S 0.00000 0.00000 0.00006 -0.01173 0.30675 71 2PX 0.00000 0.00000 0.00002 0.00000 0.00000 72 2PY 0.00002 0.00000 0.00028 0.00000 0.00000 73 2PZ 0.00000 0.00000 0.00002 0.00000 0.00000 74 3S 0.00003 0.00008 0.00133 -0.03468 0.23023 75 3PX 0.00001 0.00000 0.00008 0.00000 0.00000 76 3PY 0.00008 0.00023 0.00299 0.00000 0.00000 77 3PZ 0.00000 0.00000 0.00013 0.00000 0.00000 78 4XX 0.00000 0.00000 0.00000 -0.00136 -0.00117 79 4YY 0.00000 0.00000 0.00000 -0.00123 -0.00373 80 4ZZ 0.00000 0.00000 0.00000 -0.00136 -0.00110 81 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 82 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 83 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 84 10 H 1S 0.00000 0.00000 0.00000 -0.00167 0.02754 85 2S 0.00000 0.00000 -0.00010 -0.00062 0.01033 86 11 H 1S 0.00000 0.00000 0.00000 -0.00165 0.02726 87 2S 0.00000 0.00000 -0.00016 -0.00051 0.00973 88 12 C 1S -0.00003 0.00000 0.00017 0.00000 -0.00013 89 2S 0.00043 -0.00012 -0.00247 -0.00013 0.00357 90 2PX 0.00066 -0.00015 -0.00265 0.00000 0.00000 91 2PY 0.00003 -0.00028 -0.00439 -0.00105 0.02296 92 2PZ 0.00028 -0.00011 -0.00188 0.00000 0.00000 93 3S 0.00027 -0.00433 -0.01674 0.00033 0.00284 94 3PX 0.00019 -0.00193 -0.00635 0.00000 0.00000 95 3PY 0.00005 -0.00115 -0.00515 -0.00140 0.02012 96 3PZ 0.00000 -0.00145 -0.00463 0.00000 0.00000 97 4XX -0.00001 0.00000 -0.00017 0.00000 -0.00023 98 4YY 0.00000 0.00004 0.00064 -0.00011 0.00253 99 4ZZ -0.00002 -0.00001 -0.00018 0.00000 -0.00022 100 4XY 0.00000 0.00002 0.00005 0.00000 0.00000 101 4XZ 0.00001 0.00000 -0.00006 0.00000 0.00000 102 4YZ 0.00000 0.00002 0.00005 0.00000 0.00000 103 13 H 1S 0.00000 -0.00001 -0.00029 0.00000 -0.00011 104 2S -0.00003 -0.00039 -0.00053 0.00010 -0.00182 105 14 H 1S 0.00000 0.00000 -0.00011 0.00000 -0.00013 106 2S -0.00001 -0.00016 -0.00027 0.00014 -0.00231 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00001 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00000 0.00000 -0.00003 110 2PY 0.00000 0.00000 0.00004 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00001 0.00001 0.00040 0.00001 -0.00039 113 3PX 0.00001 0.00000 0.00007 0.00004 -0.00054 114 3PY 0.00000 0.00003 0.00037 0.00000 -0.00001 115 3PZ 0.00000 0.00000 0.00002 0.00000 -0.00004 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 -0.00004 0.00000 -0.00012 124 17 C 1S 0.00000 0.00000 0.00001 0.00000 0.00000 125 2S 0.00000 0.00000 -0.00014 0.00000 0.00000 126 2PX 0.00001 -0.00001 -0.00057 0.00000 0.00000 127 2PY 0.00000 -0.00001 -0.00047 0.00000 0.00000 128 2PZ 0.00001 0.00000 -0.00021 0.00000 0.00000 129 3S 0.00000 -0.00046 -0.00292 0.00000 -0.00006 130 3PX 0.00006 -0.00066 -0.00300 0.00001 -0.00045 131 3PY -0.00001 0.00017 0.00034 0.00000 0.00004 132 3PZ 0.00000 -0.00012 -0.00089 0.00000 -0.00001 133 4XX 0.00000 0.00000 -0.00003 0.00000 0.00000 134 4YY 0.00000 0.00000 0.00005 0.00000 0.00000 135 4ZZ 0.00000 0.00000 -0.00001 0.00000 0.00000 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4YZ 0.00000 0.00000 0.00001 0.00000 0.00000 139 18 H 1S 0.00000 0.00000 -0.00013 0.00000 0.00000 140 2S 0.00000 -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 0.00000 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 -0.00001 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 0.00004 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00004 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 -0.00001 0.00036 0.00000 0.00000 162 3PX 0.00000 -0.00001 0.00001 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00025 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00003 0.00000 0.00000 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 -0.00001 0.00000 0.00000 177 3PX 0.00000 0.00000 -0.00002 0.00000 0.00000 178 3PY 0.00000 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 71 72 73 74 75 71 2PX 0.39946 72 2PY 0.00000 0.38112 73 2PZ 0.00000 0.00000 0.40015 74 3S 0.00000 0.00000 0.00000 0.31660 75 3PX 0.10534 0.00000 0.00000 0.00000 0.08895 76 3PY 0.00000 0.09958 0.00000 0.00000 0.00000 77 3PZ 0.00000 0.00000 0.10200 0.00000 0.00000 78 4XX 0.00000 0.00000 0.00000 0.00038 0.00000 79 4YY 0.00000 0.00000 0.00000 -0.00323 0.00000 80 4ZZ 0.00000 0.00000 0.00000 -0.00091 0.00000 81 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 82 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 83 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 84 10 H 1S 0.08143 0.00961 0.00597 0.03249 0.05357 85 2S 0.05294 0.00574 0.00402 0.00684 0.05341 86 11 H 1S 0.00376 0.01180 0.08205 0.02945 0.00216 87 2S 0.00276 0.00737 0.05511 -0.00241 0.00259 88 12 C 1S 0.00000 -0.00105 0.00000 0.00033 0.00000 89 2S 0.00000 0.02296 0.00000 0.00284 0.00000 90 2PX 0.00014 0.00000 0.00000 0.00000 -0.00173 91 2PY 0.00000 0.07743 0.00000 0.02725 0.00000 92 2PZ 0.00000 0.00000 0.00027 0.00000 0.00000 93 3S 0.00000 0.02725 0.00000 -0.01130 0.00000 94 3PX -0.00174 0.00000 0.00000 0.00000 -0.00450 95 3PY 0.00000 0.03429 0.00000 0.01588 0.00000 96 3PZ 0.00000 0.00000 -0.00119 0.00000 0.00000 97 4XX 0.00000 -0.00059 0.00000 -0.00138 0.00000 98 4YY 0.00000 0.00253 0.00000 0.00379 0.00000 99 4ZZ 0.00000 -0.00062 0.00000 -0.00065 0.00000 100 4XY 0.00109 0.00000 0.00000 0.00000 0.00077 101 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 4YZ 0.00000 0.00000 0.00109 0.00000 0.00000 103 13 H 1S -0.00001 -0.00033 -0.00012 -0.00129 -0.00003 104 2S -0.00019 -0.00489 -0.00167 -0.00248 -0.00029 105 14 H 1S -0.00014 -0.00033 -0.00001 -0.00222 -0.00148 106 2S -0.00158 -0.00474 -0.00023 -0.00949 -0.00415 107 15 C 1S 0.00000 0.00000 0.00000 0.00002 0.00005 108 2S -0.00002 0.00000 0.00000 -0.00057 -0.00086 109 2PX -0.00009 0.00000 0.00000 -0.00076 -0.00005 110 2PY 0.00000 0.00000 0.00000 -0.00002 -0.00002 111 2PZ 0.00000 0.00000 0.00000 -0.00003 -0.00005 112 3S -0.00103 0.00001 -0.00005 -0.00286 -0.00331 113 3PX -0.00093 -0.00001 -0.00001 -0.00326 0.00013 114 3PY -0.00007 -0.00005 0.00000 -0.00007 -0.00011 115 3PZ -0.00012 0.00000 -0.00009 -0.00021 -0.00021 116 4XX 0.00001 0.00000 0.00000 0.00002 0.00011 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00001 118 4ZZ 0.00000 0.00000 0.00000 0.00001 -0.00002 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00001 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S -0.00001 0.00000 0.00000 -0.00035 -0.00019 123 2S 0.00003 0.00002 0.00017 -0.00165 0.00045 124 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 125 2S 0.00000 0.00000 0.00000 -0.00005 0.00001 126 2PX -0.00001 0.00000 0.00000 -0.00069 -0.00016 127 2PY 0.00000 0.00000 0.00000 0.00006 -0.00001 128 2PZ 0.00000 0.00000 0.00000 -0.00003 0.00000 129 3S -0.00015 -0.00004 0.00001 -0.00107 -0.00024 130 3PX -0.00059 -0.00004 0.00003 -0.00499 -0.00061 131 3PY -0.00006 -0.00001 0.00000 0.00095 -0.00019 132 3PZ -0.00002 -0.00001 -0.00002 -0.00021 -0.00001 133 4XX 0.00000 0.00000 0.00000 -0.00001 0.00002 134 4YY 0.00000 0.00000 0.00000 0.00000 -0.00001 135 4ZZ 0.00000 0.00000 0.00000 0.00001 0.00000 136 4XY 0.00000 0.00000 0.00000 -0.00001 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 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 -0.00001 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 0.00003 0.00013 147 3PX 0.00001 0.00000 0.00000 0.00014 0.00000 148 3PY 0.00000 0.00000 0.00000 -0.00002 -0.00002 149 3PZ 0.00000 0.00000 0.00000 -0.00003 -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 0.00000 0.00000 0.00001 0.00000 162 3PX 0.00000 0.00000 0.00000 0.00007 0.00002 163 3PY 0.00000 0.00000 0.00000 0.00001 0.00002 164 3PZ 0.00000 0.00000 0.00000 -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 0.00000 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 76 77 78 79 80 76 3PY 0.08740 77 3PZ 0.00000 0.08364 78 4XX 0.00000 0.00000 0.00161 79 4YY 0.00000 0.00000 -0.00013 0.00123 80 4ZZ 0.00000 0.00000 -0.00022 -0.00010 0.00156 81 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 82 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 83 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 84 10 H 1S 0.00701 0.00303 0.00518 -0.00087 -0.00094 85 2S 0.00608 0.00314 0.00547 -0.00159 -0.00261 86 11 H 1S 0.00758 0.05194 -0.00099 -0.00081 0.00520 87 2S 0.00719 0.05287 -0.00306 -0.00121 0.00568 88 12 C 1S -0.00140 0.00000 0.00000 -0.00011 0.00000 89 2S 0.02012 0.00000 -0.00023 0.00253 -0.00022 90 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 91 2PY 0.03429 0.00000 -0.00059 0.00253 -0.00062 92 2PZ 0.00000 -0.00119 0.00000 0.00000 0.00000 93 3S 0.01588 0.00000 -0.00138 0.00379 -0.00065 94 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 95 3PY 0.01485 0.00000 -0.00137 0.00190 -0.00137 96 3PZ 0.00000 -0.00302 0.00000 0.00000 0.00000 97 4XX -0.00137 0.00000 0.00000 -0.00001 0.00000 98 4YY 0.00190 0.00000 -0.00001 -0.00003 -0.00002 99 4ZZ -0.00137 0.00000 0.00000 -0.00002 0.00000 100 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 101 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 4YZ 0.00000 0.00071 0.00000 0.00000 0.00000 103 13 H 1S -0.00261 -0.00133 0.00000 0.00002 0.00000 104 2S -0.00791 -0.00418 0.00024 -0.00015 -0.00007 105 14 H 1S -0.00193 -0.00002 -0.00001 0.00003 0.00000 106 2S -0.00662 -0.00039 -0.00008 -0.00005 0.00021 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00001 -0.00002 0.00000 0.00000 0.00000 109 2PX 0.00006 -0.00003 0.00002 0.00000 0.00000 110 2PY -0.00012 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 -0.00015 0.00000 0.00000 0.00000 112 3S 0.00010 -0.00013 0.00014 -0.00001 -0.00003 113 3PX 0.00014 -0.00007 0.00044 -0.00009 -0.00011 114 3PY -0.00044 0.00000 0.00001 0.00000 0.00000 115 3PZ 0.00001 -0.00061 0.00003 0.00000 0.00000 116 4XX 0.00000 0.00001 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S -0.00006 -0.00020 0.00000 0.00000 0.00000 123 2S 0.00004 -0.00017 -0.00009 0.00001 0.00005 124 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 125 2S 0.00001 0.00001 0.00000 0.00000 0.00000 126 2PX 0.00000 0.00003 0.00000 0.00000 0.00000 127 2PY -0.00002 0.00000 0.00000 0.00000 0.00000 128 2PZ 0.00001 -0.00005 0.00000 0.00000 0.00000 129 3S -0.00032 0.00008 0.00001 0.00000 0.00000 130 3PX 0.00039 0.00016 0.00003 -0.00001 0.00000 131 3PY -0.00007 -0.00002 0.00000 0.00000 -0.00001 132 3PZ -0.00001 -0.00026 0.00000 0.00000 0.00000 133 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4XY 0.00001 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 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 0.00006 0.00000 0.00000 0.00000 148 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00000 0.00005 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 0.00001 0.00000 0.00000 0.00000 163 3PY 0.00001 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 0.00001 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 81 82 83 84 85 81 4XY 0.00089 82 4XZ 0.00000 0.00065 83 4YZ 0.00000 0.00000 0.00095 84 10 H 1S 0.00172 0.00078 0.00010 0.21519 85 2S 0.00038 0.00015 0.00003 0.11332 0.15965 86 11 H 1S 0.00006 0.00045 0.00199 -0.00052 -0.00805 87 2S 0.00002 0.00008 0.00044 -0.00875 -0.02613 88 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00014 89 2S 0.00000 0.00000 0.00000 -0.00013 -0.00231 90 2PX 0.00109 0.00000 0.00000 -0.00014 -0.00158 91 2PY 0.00000 0.00000 0.00000 -0.00033 -0.00474 92 2PZ 0.00000 0.00000 0.00109 -0.00001 -0.00024 93 3S 0.00000 0.00000 0.00000 -0.00222 -0.00949 94 3PX 0.00077 0.00000 0.00000 -0.00148 -0.00415 95 3PY 0.00000 0.00000 0.00000 -0.00193 -0.00662 96 3PZ 0.00000 0.00000 0.00071 -0.00002 -0.00039 97 4XX 0.00000 0.00000 0.00000 -0.00001 -0.00008 98 4YY 0.00000 0.00000 0.00000 0.00003 -0.00005 99 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00021 100 4XY -0.00014 0.00000 0.00000 0.00006 0.00029 101 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 4YZ 0.00000 0.00000 -0.00015 0.00001 0.00003 103 13 H 1S 0.00000 0.00000 0.00006 0.00000 0.00037 104 2S 0.00002 0.00000 0.00030 0.00043 0.00391 105 14 H 1S 0.00006 0.00000 0.00001 -0.00005 -0.00190 106 2S 0.00029 0.00000 0.00003 -0.00190 -0.00682 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00002 109 2PX 0.00000 0.00000 0.00000 0.00000 0.00011 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00001 112 3S 0.00000 0.00000 0.00000 0.00001 0.00046 113 3PX 0.00000 0.00000 0.00000 0.00003 0.00124 114 3PY -0.00001 0.00000 0.00000 0.00000 0.00011 115 3PZ 0.00000 0.00000 0.00000 0.00000 0.00012 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00001 0.00000 -0.00001 -0.00027 124 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 125 2S 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PX 0.00000 0.00000 0.00000 0.00000 0.00001 127 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 128 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 3S 0.00000 0.00000 0.00000 0.00000 0.00004 130 3PX 0.00001 0.00000 0.00000 0.00000 0.00029 131 3PY 0.00000 0.00000 0.00000 0.00000 0.00001 132 3PZ 0.00000 0.00000 0.00000 0.00000 0.00002 133 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4YZ 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 0.00000 0.00000 0.00000 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 0.00000 0.00000 -0.00002 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 86 87 88 89 90 86 11 H 1S 0.21677 87 2S 0.11803 0.17239 88 12 C 1S 0.00000 0.00010 2.05093 89 2S -0.00011 -0.00182 -0.01173 0.30675 90 2PX -0.00001 -0.00018 0.00000 0.00000 0.39946 91 2PY -0.00033 -0.00489 0.00000 0.00000 0.00000 92 2PZ -0.00012 -0.00166 0.00000 0.00000 0.00000 93 3S -0.00129 -0.00249 -0.03468 0.23024 0.00000 94 3PX -0.00003 -0.00028 0.00000 0.00000 0.10533 95 3PY -0.00262 -0.00791 0.00000 0.00000 0.00000 96 3PZ -0.00133 -0.00417 0.00000 0.00000 0.00000 97 4XX 0.00000 0.00024 -0.00136 -0.00117 0.00000 98 4YY 0.00002 -0.00015 -0.00123 -0.00373 0.00000 99 4ZZ 0.00000 -0.00007 -0.00136 -0.00110 0.00000 100 4XY 0.00000 0.00002 0.00000 0.00000 0.00000 101 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 4YZ 0.00006 0.00030 0.00000 0.00000 0.00000 103 13 H 1S -0.00004 -0.00166 -0.00165 0.02726 0.00378 104 2S -0.00166 -0.00812 -0.00051 0.00973 0.00277 105 14 H 1S 0.00000 0.00043 -0.00167 0.02754 0.08143 106 2S 0.00037 0.00391 -0.00062 0.01033 0.05295 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 -0.00009 0.00000 0.00000 0.00000 109 2PX -0.00001 -0.00046 0.00000 0.00000 -0.00001 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00016 0.00000 0.00000 0.00000 112 3S -0.00045 -0.00209 0.00000 -0.00006 -0.00015 113 3PX -0.00048 -0.00172 0.00001 -0.00045 -0.00059 114 3PY -0.00014 -0.00058 0.00000 0.00004 -0.00006 115 3PZ 0.00009 0.00049 0.00000 -0.00001 -0.00002 116 4XX 0.00000 -0.00004 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00002 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00002 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S 0.00000 0.00064 0.00000 0.00000 0.00000 123 2S 0.00081 0.00646 0.00000 0.00002 0.00000 124 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 125 2S 0.00000 0.00002 0.00000 0.00000 -0.00002 126 2PX 0.00000 0.00008 0.00000 -0.00003 -0.00009 127 2PY 0.00000 -0.00003 0.00000 0.00000 0.00000 128 2PZ 0.00000 -0.00002 0.00000 0.00000 0.00000 129 3S 0.00002 0.00031 0.00001 -0.00039 -0.00103 130 3PX 0.00001 0.00085 0.00004 -0.00054 -0.00093 131 3PY -0.00003 -0.00059 0.00000 -0.00001 -0.00007 132 3PZ 0.00000 -0.00014 0.00000 -0.00004 -0.00012 133 4XX 0.00000 0.00000 0.00000 0.00000 0.00001 134 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.00000 -0.00001 0.00000 0.00000 -0.00001 140 2S -0.00002 -0.00048 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 0.00001 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 0.00005 0.00000 0.00000 0.00000 147 3PX 0.00000 0.00014 0.00000 0.00000 0.00000 148 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00000 -0.00006 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 0.00001 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 91 92 93 94 95 91 2PY 0.38112 92 2PZ 0.00000 0.40014 93 3S 0.00000 0.00000 0.31662 94 3PX 0.00000 0.00000 0.00000 0.08894 95 3PY 0.09958 0.00000 0.00000 0.00000 0.08741 96 3PZ 0.00000 0.10200 0.00000 0.00000 0.00000 97 4XX 0.00000 0.00000 0.00038 0.00000 0.00000 98 4YY 0.00000 0.00000 -0.00323 0.00000 0.00000 99 4ZZ 0.00000 0.00000 -0.00091 0.00000 0.00000 100 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 101 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 13 H 1S 0.01176 0.08207 0.02945 0.00217 0.00755 104 2S 0.00735 0.05513 -0.00242 0.00261 0.00716 105 14 H 1S 0.00963 0.00593 0.03249 0.05357 0.00703 106 2S 0.00576 0.00399 0.00684 0.05341 0.00609 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 -0.00005 0.00000 0.00001 109 2PX 0.00000 0.00000 -0.00069 -0.00016 0.00000 110 2PY 0.00000 0.00000 0.00006 -0.00001 -0.00002 111 2PZ 0.00000 0.00000 -0.00003 0.00000 0.00001 112 3S -0.00004 0.00001 -0.00107 -0.00024 -0.00032 113 3PX -0.00004 0.00003 -0.00500 -0.00060 0.00039 114 3PY -0.00001 0.00000 0.00095 -0.00019 -0.00007 115 3PZ -0.00001 -0.00002 -0.00021 -0.00001 -0.00001 116 4XX 0.00000 0.00000 -0.00001 0.00002 0.00000 117 4YY 0.00000 0.00000 0.00000 -0.00001 0.00000 118 4ZZ 0.00000 0.00000 0.00001 0.00000 0.00000 119 4XY 0.00000 0.00000 -0.00001 0.00000 0.00001 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S 0.00000 0.00000 0.00002 -0.00002 0.00000 123 2S -0.00001 -0.00002 0.00065 -0.00022 -0.00004 124 17 C 1S 0.00000 0.00000 0.00002 0.00005 0.00000 125 2S 0.00000 0.00000 -0.00057 -0.00086 0.00001 126 2PX 0.00000 0.00000 -0.00076 -0.00006 0.00006 127 2PY 0.00000 0.00000 -0.00002 -0.00002 -0.00012 128 2PZ 0.00000 0.00000 -0.00003 -0.00005 0.00000 129 3S 0.00001 -0.00005 -0.00286 -0.00332 0.00009 130 3PX -0.00001 -0.00001 -0.00325 0.00013 0.00014 131 3PY -0.00005 0.00000 -0.00007 -0.00011 -0.00044 132 3PZ 0.00000 -0.00009 -0.00021 -0.00021 0.00000 133 4XX 0.00000 0.00000 0.00002 0.00011 0.00000 134 4YY 0.00000 0.00000 0.00000 0.00001 0.00000 135 4ZZ 0.00000 0.00000 0.00001 -0.00002 0.00000 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00001 0.00000 0.00000 138 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 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 0.00000 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 0.00001 0.00000 0.00001 147 3PX 0.00000 0.00000 0.00007 0.00002 0.00002 148 3PY 0.00000 0.00000 0.00001 0.00002 0.00001 149 3PZ 0.00000 0.00000 -0.00001 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 -0.00001 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 0.00003 0.00013 0.00001 162 3PX 0.00000 0.00000 0.00014 0.00000 0.00002 163 3PY 0.00000 0.00000 -0.00002 -0.00002 0.00000 164 3PZ 0.00000 0.00000 -0.00003 -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 0.00000 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 96 97 98 99 100 96 3PZ 0.08364 97 4XX 0.00000 0.00161 98 4YY 0.00000 -0.00013 0.00123 99 4ZZ 0.00000 -0.00022 -0.00010 0.00156 100 4XY 0.00000 0.00000 0.00000 0.00000 0.00089 101 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 13 H 1S 0.05195 -0.00099 -0.00081 0.00520 0.00006 104 2S 0.05289 -0.00306 -0.00121 0.00568 0.00002 105 14 H 1S 0.00301 0.00518 -0.00087 -0.00094 0.00173 106 2S 0.00313 0.00547 -0.00158 -0.00262 0.00038 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00001 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00003 0.00000 0.00000 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ -0.00005 0.00000 0.00000 0.00000 0.00000 112 3S 0.00008 0.00001 0.00000 0.00000 0.00000 113 3PX 0.00016 0.00003 -0.00001 0.00000 0.00001 114 3PY -0.00002 0.00000 0.00000 -0.00001 0.00000 115 3PZ -0.00026 0.00000 0.00000 0.00000 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S -0.00001 0.00000 0.00000 0.00000 0.00000 123 2S -0.00021 0.00001 0.00000 0.00000 0.00000 124 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 125 2S -0.00002 0.00000 0.00000 0.00000 0.00000 126 2PX -0.00003 0.00002 0.00000 0.00000 0.00000 127 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 128 2PZ -0.00015 0.00000 0.00000 0.00000 0.00000 129 3S -0.00013 0.00014 -0.00001 -0.00003 0.00000 130 3PX -0.00007 0.00044 -0.00009 -0.00011 0.00000 131 3PY 0.00000 0.00001 0.00000 0.00000 -0.00001 132 3PZ -0.00061 0.00003 0.00000 0.00000 0.00000 133 4XX 0.00001 0.00000 0.00000 0.00000 0.00000 134 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4YZ 0.00000 0.00000 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 0.00001 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 0.00006 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00005 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 101 102 103 104 105 101 4XZ 0.00065 102 4YZ 0.00000 0.00095 103 13 H 1S 0.00046 0.00199 0.21677 104 2S 0.00009 0.00044 0.11804 0.17242 105 14 H 1S 0.00078 0.00010 -0.00052 -0.00875 0.21519 106 2S 0.00015 0.00003 -0.00805 -0.02613 0.11332 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00002 0.00000 109 2PX 0.00000 0.00000 0.00000 0.00008 0.00000 110 2PY 0.00000 0.00000 0.00000 -0.00003 0.00000 111 2PZ 0.00000 0.00000 0.00000 -0.00002 0.00000 112 3S 0.00000 0.00000 0.00002 0.00031 0.00000 113 3PX 0.00000 0.00000 0.00001 0.00085 0.00000 114 3PY 0.00000 0.00000 -0.00003 -0.00059 0.00000 115 3PZ 0.00000 0.00000 0.00000 -0.00014 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S 0.00000 0.00000 0.00000 -0.00001 0.00000 123 2S 0.00000 0.00000 -0.00002 -0.00048 0.00000 124 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 125 2S 0.00000 0.00000 0.00000 -0.00009 0.00000 126 2PX 0.00000 0.00000 -0.00001 -0.00046 0.00000 127 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 128 2PZ 0.00000 0.00000 0.00000 0.00016 0.00000 129 3S 0.00000 0.00000 -0.00045 -0.00210 0.00001 130 3PX 0.00000 0.00000 -0.00048 -0.00172 0.00003 131 3PY 0.00000 0.00000 -0.00014 -0.00058 0.00000 132 3PZ 0.00000 0.00000 0.00009 0.00049 0.00000 133 4XX 0.00000 0.00000 0.00000 -0.00004 0.00000 134 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4ZZ 0.00000 0.00000 0.00000 0.00002 0.00000 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00002 0.00000 138 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.00000 0.00000 0.00000 0.00064 0.00000 140 2S 0.00001 0.00000 0.00081 0.00647 -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 0.00000 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 0.00001 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 0.00005 0.00000 162 3PX 0.00000 0.00000 0.00000 0.00014 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 -0.00006 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 106 107 108 109 110 106 2S 0.15964 107 15 C 1S 0.00000 2.05261 108 2S 0.00000 -0.01388 0.33256 109 2PX 0.00001 0.00000 0.00000 0.35371 110 2PY 0.00000 0.00000 0.00000 0.00000 0.42804 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00004 -0.03169 0.22153 0.00000 0.00000 113 3PX 0.00030 0.00000 0.00000 0.10356 0.00000 114 3PY 0.00001 0.00000 0.00000 0.00000 0.06761 115 3PZ 0.00002 0.00000 0.00000 0.00000 0.00000 116 4XX 0.00000 -0.00098 -0.00823 0.00000 0.00000 117 4YY 0.00000 -0.00136 -0.00089 0.00000 0.00000 118 4ZZ 0.00000 -0.00119 -0.00395 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S 0.00000 -0.00228 0.03690 0.00793 0.03846 123 2S 0.00001 -0.00156 0.01879 0.00288 0.02289 124 17 C 1S 0.00000 0.00000 -0.00066 0.00000 -0.00298 125 2S 0.00002 -0.00066 0.01406 0.00000 0.04390 126 2PX 0.00011 0.00000 0.00000 0.01689 0.00000 127 2PY 0.00000 -0.00298 0.04390 0.00000 0.10306 128 2PZ 0.00001 0.00000 0.00000 0.00000 0.00000 129 3S 0.00046 0.00022 0.00850 0.00000 0.03419 130 3PX 0.00124 0.00000 0.00000 0.02495 0.00000 131 3PY 0.00011 -0.00027 0.01059 0.00000 0.01765 132 3PZ 0.00012 0.00000 0.00000 0.00000 0.00000 133 4XX 0.00000 0.00000 -0.00058 0.00000 -0.00161 134 4YY 0.00000 -0.00028 0.00372 0.00000 0.00305 135 4ZZ 0.00000 0.00000 -0.00072 0.00000 -0.00139 136 4XY 0.00000 0.00000 0.00000 0.00216 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.00000 0.00000 -0.00021 -0.00002 -0.00048 140 2S -0.00027 0.00025 -0.00404 -0.00034 -0.00663 141 19 O 1S 0.00000 0.00000 -0.00007 -0.00042 -0.00007 142 2S 0.00000 -0.00002 0.00123 0.00793 0.00179 143 2PX 0.00000 -0.00023 0.01163 0.01476 0.00636 144 2PY 0.00000 -0.00005 0.00233 0.00492 -0.00073 145 2PZ 0.00000 -0.00013 0.00563 0.02016 0.00360 146 3S 0.00000 0.00037 -0.00405 0.00779 -0.00266 147 3PX 0.00000 -0.00205 0.02127 0.00872 0.00721 148 3PY 0.00000 -0.00079 0.00710 0.00657 -0.00457 149 3PZ 0.00000 -0.00126 0.01049 0.02145 0.00438 150 4XX 0.00000 -0.00006 0.00082 -0.00105 0.00079 151 4YY 0.00000 -0.00001 0.00013 0.00047 0.00000 152 4ZZ 0.00000 -0.00002 0.00024 0.00134 0.00049 153 4XY 0.00000 -0.00007 0.00081 0.00075 0.00022 154 4XZ 0.00000 -0.00016 0.00148 0.00068 0.00040 155 4YZ 0.00000 -0.00005 0.00045 0.00134 0.00014 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 -0.00003 -0.00003 -0.00007 158 2PX 0.00000 0.00000 -0.00004 0.00007 -0.00016 159 2PY 0.00000 0.00000 -0.00017 -0.00008 -0.00034 160 2PZ 0.00000 0.00000 0.00001 -0.00008 -0.00013 161 3S 0.00000 -0.00001 -0.00010 -0.00115 0.00120 162 3PX -0.00002 0.00003 -0.00090 0.00052 -0.00165 163 3PY 0.00000 0.00012 -0.00335 -0.00153 -0.00361 164 3PZ 0.00000 -0.00001 0.00029 -0.00155 -0.00159 165 4XX 0.00000 0.00000 0.00000 -0.00001 -0.00004 166 4YY 0.00000 0.00000 -0.00003 -0.00001 -0.00006 167 4ZZ 0.00000 0.00000 0.00000 0.00002 -0.00002 168 4XY 0.00000 0.00000 0.00002 0.00002 0.00012 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 170 4YZ 0.00000 0.00000 0.00001 0.00001 0.00006 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 -0.00017 -0.00052 -0.00020 173 2PX 0.00000 0.00000 -0.00050 -0.00057 -0.00023 174 2PY 0.00000 0.00000 -0.00005 -0.00033 -0.00001 175 2PZ 0.00000 0.00000 -0.00019 -0.00046 -0.00005 176 3S 0.00000 0.00010 -0.00108 -0.00375 -0.00142 177 3PX 0.00000 0.00029 -0.00351 0.00031 -0.00101 178 3PY 0.00000 0.00003 -0.00050 -0.00201 -0.00009 179 3PZ 0.00000 0.00009 -0.00101 -0.00140 -0.00016 180 4XX 0.00000 0.00000 0.00003 0.00016 -0.00002 181 4YY 0.00000 0.00000 -0.00002 -0.00007 0.00000 182 4ZZ 0.00000 0.00000 0.00002 0.00010 -0.00001 183 4XY 0.00000 0.00000 0.00001 0.00001 0.00000 184 4XZ 0.00000 0.00000 0.00002 0.00013 0.00001 185 4YZ 0.00000 0.00000 0.00000 0.00006 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 -0.00004 0.00100 0.00005 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 -0.00001 0.00018 0.00049 0.00002 111 112 113 114 115 111 2PZ 0.37250 112 3S 0.00000 0.29973 113 3PX 0.00000 0.00000 0.12473 114 3PY 0.00000 0.00000 0.00000 0.05431 115 3PZ 0.08662 0.00000 0.00000 0.00000 0.08173 116 4XX 0.00000 -0.00569 0.00000 0.00000 0.00000 117 4YY 0.00000 -0.00013 0.00000 0.00000 0.00000 118 4ZZ 0.00000 -0.00315 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S 0.05133 0.05109 0.00330 0.01136 0.02349 123 2S 0.03191 0.03020 -0.00079 0.00771 0.02377 124 17 C 1S 0.00000 0.00022 0.00000 -0.00027 0.00000 125 2S 0.00000 0.00850 0.00000 0.01059 0.00000 126 2PX 0.00000 0.00000 0.02495 0.00000 0.00000 127 2PY 0.00000 0.03420 0.00000 0.01765 0.00000 128 2PZ 0.01345 0.00000 0.00000 0.00000 0.02001 129 3S 0.00000 -0.02067 0.00000 -0.00416 0.00000 130 3PX 0.00000 0.00000 0.03516 0.00000 0.00000 131 3PY 0.00000 -0.00416 0.00000 0.00160 0.00000 132 3PZ 0.02001 0.00000 0.00000 0.00000 0.02759 133 4XX 0.00000 -0.00086 0.00000 -0.00173 0.00000 134 4YY 0.00000 0.00373 0.00000 0.00134 0.00000 135 4ZZ 0.00000 -0.00221 0.00000 -0.00081 0.00000 136 4XY 0.00000 0.00000 0.00129 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4YZ 0.00225 0.00000 0.00000 0.00000 0.00098 139 18 H 1S 0.00001 -0.00438 -0.00015 -0.00396 0.00001 140 2S -0.00022 -0.01600 -0.00044 -0.00968 0.00021 141 19 O 1S -0.00030 0.00133 0.00029 -0.00027 0.00045 142 2S 0.00540 -0.02021 -0.00428 0.00287 -0.00588 143 2PX 0.01937 0.00349 0.00051 0.00069 0.00347 144 2PY 0.00370 0.00289 -0.00129 0.00461 0.00029 145 2PZ 0.00308 0.00684 0.00776 0.00155 -0.00120 146 3S 0.00958 -0.06296 -0.01155 0.00244 -0.01076 147 3PX 0.01956 0.00095 -0.00193 -0.00011 0.00196 148 3PY 0.00651 0.00840 -0.00310 0.01104 0.00115 149 3PZ -0.00174 0.01609 0.00886 0.00298 -0.00697 150 4XX 0.00109 0.00153 -0.00127 0.00052 0.00103 151 4YY 0.00044 0.00058 -0.00036 -0.00023 0.00029 152 4ZZ -0.00045 0.00101 0.00207 0.00016 -0.00055 153 4XY 0.00104 0.00017 0.00001 0.00020 0.00006 154 4XZ 0.00008 0.00042 0.00000 0.00004 0.00005 155 4YZ 0.00010 0.00017 0.00020 0.00012 0.00001 156 20 O 1S 0.00000 -0.00013 0.00000 -0.00014 -0.00001 157 2S -0.00003 0.00200 0.00009 0.00147 0.00034 158 2PX -0.00005 -0.00074 0.00019 -0.00020 -0.00007 159 2PY -0.00005 -0.00427 0.00105 -0.00423 0.00087 160 2PZ 0.00003 0.00027 -0.00124 -0.00151 -0.00029 161 3S -0.00084 0.01262 -0.00127 0.00962 -0.00039 162 3PX -0.00102 -0.00356 -0.00142 0.00009 -0.00098 163 3PY -0.00042 -0.01640 0.00199 -0.01058 0.00302 164 3PZ -0.00018 0.00197 -0.00483 -0.00484 -0.00247 165 4XX 0.00002 0.00004 -0.00009 -0.00019 0.00016 166 4YY 0.00001 -0.00062 0.00005 -0.00056 0.00015 167 4ZZ 0.00000 -0.00011 0.00011 -0.00017 -0.00006 168 4XY 0.00000 0.00000 0.00001 0.00010 0.00000 169 4XZ 0.00000 0.00000 0.00000 -0.00002 -0.00001 170 4YZ 0.00000 -0.00001 0.00000 -0.00001 0.00000 171 21 C 1S 0.00000 0.00007 0.00024 0.00007 -0.00002 172 2S 0.00001 -0.00077 -0.00343 -0.00115 0.00097 173 2PX -0.00040 -0.00349 -0.00246 -0.00024 -0.00079 174 2PY -0.00024 0.00049 -0.00178 -0.00087 -0.00083 175 2PZ 0.00001 -0.00159 -0.00220 0.00017 0.00003 176 3S -0.00004 0.00114 -0.00718 -0.00271 0.00295 177 3PX -0.00346 -0.00871 0.00157 0.00029 -0.00415 178 3PY -0.00105 0.00058 -0.00176 0.00005 -0.00046 179 3PZ 0.00004 -0.00128 -0.00325 -0.00026 -0.00045 180 4XX 0.00008 -0.00025 0.00049 0.00008 0.00008 181 4YY -0.00003 -0.00017 -0.00061 0.00004 -0.00019 182 4ZZ 0.00001 0.00033 0.00059 -0.00007 0.00004 183 4XY 0.00002 0.00002 -0.00015 -0.00008 -0.00007 184 4XZ 0.00003 0.00006 0.00008 -0.00003 0.00001 185 4YZ 0.00000 0.00002 0.00010 -0.00002 0.00000 186 22 H 1S 0.00000 -0.00005 0.00032 0.00003 0.00001 187 2S -0.00012 -0.00222 0.00603 0.00084 -0.00068 188 23 H 1S 0.00000 0.00021 0.00022 -0.00007 0.00011 189 2S 0.00017 0.00178 0.00190 -0.00023 0.00034 116 117 118 119 120 116 4XX 0.00257 117 4YY -0.00022 0.00122 118 4ZZ -0.00017 -0.00012 0.00177 119 4XY 0.00000 0.00000 0.00000 0.00157 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00159 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S -0.00138 -0.00041 0.00210 0.00064 0.00044 123 2S -0.00261 -0.00056 0.00337 0.00014 0.00008 124 17 C 1S 0.00000 -0.00028 0.00000 0.00000 0.00000 125 2S -0.00058 0.00372 -0.00072 0.00000 0.00000 126 2PX 0.00000 0.00000 0.00000 0.00216 0.00000 127 2PY -0.00161 0.00305 -0.00139 0.00000 0.00000 128 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 3S -0.00086 0.00373 -0.00221 0.00000 0.00000 130 3PX 0.00000 0.00000 0.00000 0.00129 0.00000 131 3PY -0.00173 0.00134 -0.00081 0.00000 0.00000 132 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 4XX 0.00004 -0.00004 0.00000 0.00000 0.00000 134 4YY -0.00004 -0.00006 -0.00004 0.00000 0.00000 135 4ZZ 0.00000 -0.00004 0.00005 0.00000 0.00000 136 4XY 0.00000 0.00000 0.00000 -0.00001 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.00000 0.00001 0.00001 0.00001 0.00000 140 2S 0.00021 -0.00032 0.00033 0.00001 0.00001 141 19 O 1S -0.00004 0.00000 -0.00001 -0.00005 -0.00009 142 2S 0.00111 -0.00019 0.00021 0.00087 0.00166 143 2PX -0.00088 -0.00052 0.00162 0.00035 0.00279 144 2PY 0.00079 0.00017 0.00032 0.00028 0.00124 145 2PZ 0.00394 -0.00025 -0.00069 0.00138 0.00027 146 3S 0.00123 -0.00005 0.00061 0.00101 0.00119 147 3PX -0.00176 -0.00162 0.00391 -0.00001 0.00080 148 3PY 0.00111 -0.00053 0.00066 0.00077 0.00085 149 3PZ 0.00637 -0.00071 -0.00229 0.00089 -0.00001 150 4XX -0.00004 -0.00001 0.00005 0.00002 0.00001 151 4YY 0.00008 -0.00004 0.00003 0.00002 0.00010 152 4ZZ 0.00009 0.00000 -0.00003 0.00002 -0.00002 153 4XY -0.00006 0.00000 0.00004 0.00000 0.00011 154 4XZ -0.00001 -0.00003 0.00000 0.00003 0.00007 155 4YZ 0.00018 0.00000 -0.00003 -0.00002 0.00002 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 0.00001 0.00000 0.00001 0.00000 159 2PY 0.00000 0.00002 0.00000 0.00001 0.00000 160 2PZ 0.00000 0.00001 0.00000 0.00001 0.00000 161 3S -0.00004 0.00013 -0.00001 -0.00002 -0.00004 162 3PX -0.00006 0.00010 0.00010 0.00006 0.00000 163 3PY -0.00001 0.00038 -0.00004 0.00008 -0.00004 164 3PZ 0.00005 0.00007 -0.00003 0.00006 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00001 0.00000 167 4ZZ 0.00000 0.00000 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 0.00001 0.00000 0.00001 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00004 -0.00001 0.00001 0.00002 0.00001 173 2PX 0.00014 -0.00003 0.00003 0.00007 0.00008 174 2PY 0.00003 0.00000 0.00001 0.00000 -0.00001 175 2PZ 0.00005 -0.00001 0.00001 0.00002 0.00002 176 3S 0.00005 -0.00010 0.00006 0.00006 -0.00004 177 3PX 0.00006 -0.00021 0.00050 0.00013 0.00005 178 3PY -0.00002 0.00003 -0.00001 -0.00008 -0.00009 179 3PZ 0.00043 -0.00006 -0.00011 0.00001 0.00000 180 4XX -0.00001 0.00000 0.00001 0.00001 0.00002 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 0.00001 184 4XZ 0.00002 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00001 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S -0.00023 0.00000 0.00009 0.00002 0.00001 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00004 0.00001 -0.00007 -0.00001 -0.00002 121 122 123 124 125 121 4YZ 0.00181 122 16 H 1S 0.00359 0.21512 123 2S 0.00064 0.10465 0.14252 124 17 C 1S 0.00000 0.00000 0.00025 2.05261 125 2S 0.00000 -0.00021 -0.00404 -0.01388 0.33256 126 2PX 0.00000 -0.00002 -0.00034 0.00000 0.00000 127 2PY 0.00000 -0.00048 -0.00663 0.00000 0.00000 128 2PZ 0.00225 0.00001 -0.00022 0.00000 0.00000 129 3S 0.00000 -0.00438 -0.01601 -0.03169 0.22153 130 3PX 0.00000 -0.00015 -0.00044 0.00000 0.00000 131 3PY 0.00000 -0.00396 -0.00968 0.00000 0.00000 132 3PZ 0.00098 0.00001 0.00022 0.00000 0.00000 133 4XX 0.00000 0.00000 0.00021 -0.00098 -0.00823 134 4YY 0.00000 0.00001 -0.00032 -0.00136 -0.00089 135 4ZZ 0.00000 0.00001 0.00033 -0.00119 -0.00395 136 4XY 0.00000 0.00001 0.00001 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00001 0.00000 0.00000 138 4YZ -0.00018 0.00004 0.00022 0.00000 0.00000 139 18 H 1S 0.00004 0.00000 -0.00011 -0.00228 0.03690 140 2S 0.00022 -0.00011 -0.00002 -0.00156 0.01879 141 19 O 1S -0.00003 0.00000 0.00013 0.00000 0.00000 142 2S 0.00057 -0.00005 -0.00188 0.00000 -0.00003 143 2PX 0.00102 -0.00002 -0.00014 0.00000 -0.00004 144 2PY 0.00016 -0.00001 -0.00015 0.00000 -0.00017 145 2PZ 0.00003 -0.00014 -0.00395 0.00000 0.00001 146 3S 0.00077 -0.00231 -0.01051 -0.00001 -0.00010 147 3PX 0.00057 0.00014 0.00252 0.00003 -0.00090 148 3PY 0.00048 -0.00014 -0.00045 0.00012 -0.00335 149 3PZ 0.00000 -0.00334 -0.01531 -0.00001 0.00029 150 4XX -0.00002 0.00002 0.00006 0.00000 0.00000 151 4YY 0.00001 0.00000 0.00015 0.00000 -0.00003 152 4ZZ -0.00001 0.00005 0.00026 0.00000 0.00000 153 4XY -0.00003 0.00001 0.00002 0.00000 0.00002 154 4XZ 0.00000 0.00005 0.00006 0.00000 0.00000 155 4YZ 0.00000 0.00001 0.00004 0.00000 0.00001 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 -0.00007 157 2S 0.00000 0.00000 0.00002 -0.00002 0.00123 158 2PX 0.00001 0.00000 0.00009 -0.00023 0.01163 159 2PY 0.00001 0.00000 0.00014 -0.00005 0.00233 160 2PZ 0.00000 0.00000 -0.00001 -0.00013 0.00564 161 3S 0.00002 0.00001 -0.00002 0.00037 -0.00405 162 3PX 0.00008 0.00002 0.00085 -0.00205 0.02126 163 3PY 0.00013 0.00003 0.00113 -0.00079 0.00710 164 3PZ -0.00001 0.00001 -0.00016 -0.00126 0.01050 165 4XX 0.00000 0.00000 0.00000 -0.00006 0.00082 166 4YY 0.00000 0.00000 0.00002 -0.00001 0.00013 167 4ZZ 0.00000 0.00000 0.00000 -0.00002 0.00024 168 4XY 0.00000 0.00000 0.00000 -0.00007 0.00081 169 4XZ 0.00000 0.00000 0.00000 -0.00016 0.00148 170 4YZ 0.00000 0.00000 0.00000 -0.00005 0.00045 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00002 0.00000 0.00019 0.00000 -0.00017 173 2PX 0.00005 0.00000 0.00031 0.00000 -0.00050 174 2PY 0.00000 0.00000 0.00014 0.00000 -0.00005 175 2PZ 0.00001 0.00000 0.00020 0.00000 -0.00019 176 3S 0.00007 0.00014 0.00130 0.00010 -0.00108 177 3PX 0.00004 0.00027 0.00224 0.00029 -0.00351 178 3PY -0.00004 0.00014 0.00069 0.00003 -0.00050 179 3PZ 0.00000 -0.00003 -0.00005 0.00009 -0.00101 180 4XX 0.00000 0.00000 0.00003 0.00000 0.00003 181 4YY 0.00000 0.00000 0.00000 0.00000 -0.00002 182 4ZZ 0.00000 0.00000 -0.00003 0.00000 0.00002 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00001 184 4XZ 0.00000 0.00000 -0.00002 0.00000 0.00002 185 4YZ 0.00000 0.00000 -0.00001 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00002 0.00000 0.00000 187 2S -0.00001 0.00002 0.00068 0.00000 -0.00004 188 23 H 1S 0.00000 0.00000 -0.00001 0.00000 0.00000 189 2S 0.00000 -0.00001 -0.00030 -0.00001 0.00018 126 127 128 129 130 126 2PX 0.35371 127 2PY 0.00000 0.42806 128 2PZ 0.00000 0.00000 0.37249 129 3S 0.00000 0.00000 0.00000 0.29974 130 3PX 0.10356 0.00000 0.00000 0.00000 0.12473 131 3PY 0.00000 0.06761 0.00000 0.00000 0.00000 132 3PZ 0.00000 0.00000 0.08661 0.00000 0.00000 133 4XX 0.00000 0.00000 0.00000 -0.00569 0.00000 134 4YY 0.00000 0.00000 0.00000 -0.00013 0.00000 135 4ZZ 0.00000 0.00000 0.00000 -0.00315 0.00000 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.00793 0.03848 0.05132 0.05109 0.00330 140 2S 0.00288 0.02290 0.03190 0.03020 -0.00079 141 19 O 1S 0.00000 0.00000 0.00000 -0.00013 0.00000 142 2S -0.00003 -0.00007 -0.00003 0.00200 0.00009 143 2PX 0.00007 -0.00016 -0.00005 -0.00074 0.00019 144 2PY -0.00008 -0.00034 -0.00005 -0.00427 0.00105 145 2PZ -0.00008 -0.00013 0.00003 0.00027 -0.00124 146 3S -0.00115 0.00120 -0.00084 0.01262 -0.00127 147 3PX 0.00052 -0.00165 -0.00102 -0.00356 -0.00142 148 3PY -0.00153 -0.00361 -0.00042 -0.01640 0.00199 149 3PZ -0.00155 -0.00159 -0.00018 0.00197 -0.00482 150 4XX -0.00001 -0.00004 0.00002 0.00004 -0.00009 151 4YY -0.00001 -0.00006 0.00001 -0.00062 0.00005 152 4ZZ 0.00002 -0.00002 0.00000 -0.00011 0.00011 153 4XY 0.00002 0.00012 0.00000 0.00000 0.00001 154 4XZ 0.00000 0.00001 0.00000 0.00000 0.00000 155 4YZ 0.00001 0.00006 0.00000 -0.00001 0.00000 156 20 O 1S -0.00042 -0.00007 -0.00030 0.00133 0.00029 157 2S 0.00793 0.00179 0.00540 -0.02021 -0.00428 158 2PX 0.01476 0.00636 0.01938 0.00349 0.00051 159 2PY 0.00492 -0.00073 0.00370 0.00289 -0.00129 160 2PZ 0.02017 0.00360 0.00309 0.00685 0.00777 161 3S 0.00779 -0.00266 0.00958 -0.06296 -0.01155 162 3PX 0.00872 0.00721 0.01956 0.00094 -0.00193 163 3PY 0.00656 -0.00457 0.00651 0.00839 -0.00310 164 3PZ 0.02146 0.00438 -0.00174 0.01610 0.00886 165 4XX -0.00105 0.00079 0.00109 0.00153 -0.00127 166 4YY 0.00047 0.00000 0.00044 0.00058 -0.00036 167 4ZZ 0.00134 0.00049 -0.00045 0.00101 0.00207 168 4XY 0.00074 0.00022 0.00104 0.00017 0.00001 169 4XZ 0.00068 0.00040 0.00008 0.00042 0.00000 170 4YZ 0.00134 0.00014 0.00010 0.00017 0.00020 171 21 C 1S 0.00000 0.00000 0.00000 0.00007 0.00024 172 2S -0.00052 -0.00020 0.00001 -0.00077 -0.00343 173 2PX -0.00057 -0.00023 -0.00040 -0.00349 -0.00246 174 2PY -0.00033 -0.00001 -0.00024 0.00049 -0.00178 175 2PZ -0.00046 -0.00005 0.00001 -0.00159 -0.00220 176 3S -0.00375 -0.00142 -0.00004 0.00114 -0.00718 177 3PX 0.00031 -0.00101 -0.00346 -0.00871 0.00157 178 3PY -0.00201 -0.00009 -0.00105 0.00058 -0.00176 179 3PZ -0.00139 -0.00016 0.00004 -0.00128 -0.00325 180 4XX 0.00016 -0.00002 0.00008 -0.00025 0.00049 181 4YY -0.00007 0.00000 -0.00003 -0.00017 -0.00061 182 4ZZ 0.00010 -0.00001 0.00001 0.00033 0.00059 183 4XY 0.00001 0.00000 0.00002 0.00002 -0.00015 184 4XZ 0.00013 0.00001 0.00003 0.00006 0.00008 185 4YZ 0.00006 0.00000 0.00000 0.00002 0.00010 186 22 H 1S 0.00000 0.00000 0.00000 -0.00005 0.00032 187 2S 0.00100 0.00005 -0.00012 -0.00222 0.00603 188 23 H 1S 0.00000 0.00000 0.00000 0.00021 0.00022 189 2S 0.00049 0.00002 0.00017 0.00178 0.00190 131 132 133 134 135 131 3PY 0.05430 132 3PZ 0.00000 0.08174 133 4XX 0.00000 0.00000 0.00257 134 4YY 0.00000 0.00000 -0.00022 0.00122 135 4ZZ 0.00000 0.00000 -0.00017 -0.00012 0.00177 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.01136 0.02349 -0.00138 -0.00041 0.00209 140 2S 0.00772 0.02377 -0.00261 -0.00056 0.00337 141 19 O 1S -0.00014 -0.00001 0.00000 0.00000 0.00000 142 2S 0.00147 0.00034 0.00000 0.00000 0.00000 143 2PX -0.00020 -0.00007 0.00000 0.00001 0.00000 144 2PY -0.00423 0.00087 0.00000 0.00002 0.00000 145 2PZ -0.00151 -0.00029 0.00000 0.00001 0.00000 146 3S 0.00962 -0.00039 -0.00004 0.00013 -0.00001 147 3PX 0.00009 -0.00098 -0.00006 0.00010 0.00010 148 3PY -0.01059 0.00302 -0.00001 0.00038 -0.00004 149 3PZ -0.00483 -0.00248 0.00005 0.00007 -0.00003 150 4XX -0.00019 0.00016 0.00000 0.00000 0.00000 151 4YY -0.00056 0.00015 0.00000 0.00000 0.00000 152 4ZZ -0.00017 -0.00006 0.00000 0.00000 0.00000 153 4XY 0.00010 0.00000 0.00000 0.00001 0.00000 154 4XZ -0.00002 -0.00001 0.00000 0.00000 0.00000 155 4YZ -0.00001 0.00000 0.00000 0.00001 0.00000 156 20 O 1S -0.00027 0.00044 -0.00004 0.00000 -0.00001 157 2S 0.00287 -0.00588 0.00111 -0.00019 0.00021 158 2PX 0.00069 0.00347 -0.00088 -0.00052 0.00162 159 2PY 0.00461 0.00029 0.00079 0.00017 0.00032 160 2PZ 0.00155 -0.00120 0.00394 -0.00025 -0.00069 161 3S 0.00244 -0.01076 0.00123 -0.00005 0.00061 162 3PX -0.00011 0.00195 -0.00176 -0.00162 0.00391 163 3PY 0.01104 0.00114 0.00111 -0.00053 0.00066 164 3PZ 0.00298 -0.00697 0.00638 -0.00071 -0.00229 165 4XX 0.00052 0.00104 -0.00004 -0.00001 0.00005 166 4YY -0.00023 0.00029 0.00008 -0.00004 0.00003 167 4ZZ 0.00016 -0.00055 0.00009 0.00000 -0.00003 168 4XY 0.00020 0.00006 -0.00006 0.00000 0.00004 169 4XZ 0.00004 0.00005 -0.00001 -0.00003 0.00000 170 4YZ 0.00012 0.00001 0.00018 0.00000 -0.00003 171 21 C 1S 0.00007 -0.00002 0.00000 0.00000 0.00000 172 2S -0.00115 0.00097 0.00004 -0.00001 0.00001 173 2PX -0.00025 -0.00079 0.00014 -0.00003 0.00003 174 2PY -0.00087 -0.00083 0.00003 0.00000 0.00001 175 2PZ 0.00017 0.00003 0.00005 -0.00001 0.00001 176 3S -0.00271 0.00296 0.00005 -0.00010 0.00006 177 3PX 0.00029 -0.00415 0.00006 -0.00021 0.00050 178 3PY 0.00005 -0.00046 -0.00002 0.00003 -0.00001 179 3PZ -0.00026 -0.00045 0.00043 -0.00006 -0.00011 180 4XX 0.00008 0.00008 -0.00001 0.00000 0.00001 181 4YY 0.00004 -0.00019 0.00000 0.00000 0.00000 182 4ZZ -0.00007 0.00004 0.00000 0.00000 0.00000 183 4XY -0.00008 -0.00007 0.00000 0.00000 0.00000 184 4XZ -0.00003 0.00001 0.00002 0.00000 0.00000 185 4YZ -0.00002 0.00000 0.00001 0.00000 0.00000 186 22 H 1S 0.00003 0.00001 0.00000 0.00000 0.00000 187 2S 0.00084 -0.00068 -0.00023 0.00000 0.00009 188 23 H 1S -0.00007 0.00011 0.00000 0.00000 0.00000 189 2S -0.00023 0.00035 0.00004 0.00001 -0.00007 136 137 138 139 140 136 4XY 0.00157 137 4XZ 0.00000 0.00159 138 4YZ 0.00000 0.00000 0.00181 139 18 H 1S 0.00064 0.00044 0.00359 0.21512 140 2S 0.00014 0.00008 0.00064 0.10465 0.14253 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 0.00001 0.00000 0.00001 0.00000 0.00009 144 2PY 0.00001 0.00000 0.00001 0.00000 0.00014 145 2PZ 0.00001 0.00000 0.00000 0.00000 -0.00001 146 3S -0.00002 -0.00004 0.00002 0.00001 -0.00003 147 3PX 0.00006 0.00000 0.00008 0.00002 0.00085 148 3PY 0.00008 -0.00004 0.00013 0.00003 0.00113 149 3PZ 0.00006 0.00000 -0.00001 0.00001 -0.00016 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00001 0.00000 0.00000 0.00000 0.00002 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 0.00001 0.00000 0.00000 0.00000 0.00000 156 20 O 1S -0.00005 -0.00009 -0.00003 0.00000 0.00013 157 2S 0.00087 0.00166 0.00057 -0.00005 -0.00188 158 2PX 0.00035 0.00279 0.00102 -0.00002 -0.00014 159 2PY 0.00028 0.00123 0.00016 -0.00001 -0.00015 160 2PZ 0.00138 0.00027 0.00003 -0.00014 -0.00395 161 3S 0.00101 0.00119 0.00077 -0.00231 -0.01051 162 3PX -0.00001 0.00080 0.00057 0.00014 0.00252 163 3PY 0.00077 0.00085 0.00048 -0.00014 -0.00045 164 3PZ 0.00089 -0.00001 0.00000 -0.00334 -0.01531 165 4XX 0.00002 0.00001 -0.00002 0.00002 0.00006 166 4YY 0.00002 0.00010 0.00001 0.00000 0.00015 167 4ZZ 0.00002 -0.00002 -0.00001 0.00005 0.00026 168 4XY 0.00000 0.00011 -0.00003 0.00001 0.00002 169 4XZ 0.00003 0.00007 0.00000 0.00005 0.00006 170 4YZ -0.00002 0.00002 0.00000 0.00001 0.00004 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00002 0.00001 0.00002 0.00000 0.00019 173 2PX 0.00007 0.00008 0.00005 0.00000 0.00031 174 2PY 0.00000 -0.00001 0.00000 0.00000 0.00014 175 2PZ 0.00002 0.00002 0.00001 0.00000 0.00020 176 3S 0.00006 -0.00004 0.00007 0.00014 0.00130 177 3PX 0.00013 0.00005 0.00004 0.00027 0.00224 178 3PY -0.00008 -0.00009 -0.00004 0.00014 0.00069 179 3PZ 0.00001 0.00000 0.00000 -0.00003 -0.00005 180 4XX 0.00001 0.00002 0.00000 0.00000 0.00003 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00003 183 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00002 185 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00001 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00002 187 2S 0.00002 0.00001 -0.00001 0.00002 0.00068 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 189 2S -0.00001 -0.00002 0.00000 -0.00001 -0.00030 141 142 143 144 145 141 19 O 1S 2.07561 142 2S -0.04155 0.50274 143 2PX 0.00000 0.00000 0.61892 144 2PY 0.00000 0.00000 0.00000 0.66748 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.74389 146 3S -0.04121 0.45391 0.00000 0.00000 0.00000 147 3PX 0.00000 0.00000 0.18662 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 0.24768 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 0.00430 0.00280 0.01955 0.00092 174 2PY -0.00042 0.00845 0.01805 0.02363 0.00241 175 2PZ -0.00003 0.00060 0.00094 0.00265 -0.00034 176 3S 0.00108 -0.01635 0.00313 0.01024 0.00013 177 3PX 0.00011 -0.00140 -0.00042 0.00691 0.00126 178 3PY -0.00016 0.00080 0.00862 0.00069 0.00081 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 -0.00004 -0.00022 -0.00003 -0.00004 187 2S 0.00001 -0.00042 -0.00591 -0.00110 -0.00125 188 23 H 1S 0.00000 -0.00006 0.00000 -0.00004 -0.00019 189 2S 0.00008 -0.00109 0.00071 -0.00113 -0.00457 146 147 148 149 150 146 3S 0.76071 147 3PX 0.00000 0.23556 148 3PY 0.00000 0.00000 0.27449 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 0.00714 0.03007 -0.00002 0.00015 173 2PX 0.00530 -0.00185 0.02628 0.00031 -0.00040 174 2PY 0.00750 0.01885 0.01948 0.00197 -0.00013 175 2PZ 0.00095 0.00035 0.00331 -0.00370 0.00004 176 3S -0.06101 0.00328 0.02319 -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 0.00420 -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 -0.00132 -0.00548 -0.00051 -0.00094 0.00008 187 2S 0.00071 -0.02469 -0.00360 -0.00542 0.00050 188 23 H 1S -0.00220 0.00067 -0.00044 -0.00420 0.00001 189 2S -0.00660 0.00501 -0.00346 -0.01726 -0.00005 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 0.00006 185 4YZ 0.00003 -0.00001 0.00005 0.00000 0.00011 186 22 H 1S 0.00000 -0.00001 0.00002 0.00001 0.00000 187 2S -0.00032 -0.00031 -0.00016 0.00003 -0.00002 188 23 H 1S 0.00000 0.00005 0.00001 0.00006 0.00003 189 2S -0.00021 0.00068 0.00002 0.00016 -0.00006 156 157 158 159 160 156 20 O 1S 2.07561 157 2S -0.04155 0.50274 158 2PX 0.00000 0.00000 0.61894 159 2PY 0.00000 0.00000 0.00000 0.66751 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.74388 161 3S -0.04121 0.45390 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.18662 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 0.24767 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 0.01956 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 0.00062 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 -0.00004 -0.00022 -0.00003 -0.00004 187 2S 0.00001 -0.00042 -0.00591 -0.00110 -0.00125 188 23 H 1S 0.00000 -0.00006 0.00000 -0.00004 -0.00019 189 2S 0.00008 -0.00109 0.00071 -0.00113 -0.00457 161 162 163 164 165 161 3S 0.76067 162 3PX 0.00000 0.23557 163 3PY 0.00000 0.00000 0.27450 164 3PZ 0.00000 0.00000 0.00000 0.33561 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 0.03008 -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 0.00327 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 -0.00132 -0.00548 -0.00051 -0.00094 0.00008 187 2S 0.00072 -0.02470 -0.00359 -0.00543 0.00050 188 23 H 1S -0.00220 0.00067 -0.00045 -0.00420 0.00001 189 2S -0.00660 0.00501 -0.00347 -0.01726 -0.00005 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 -0.00001 0.00002 0.00001 0.00000 187 2S -0.00032 -0.00031 -0.00016 0.00003 -0.00002 188 23 H 1S 0.00000 0.00005 0.00001 0.00006 0.00003 189 2S -0.00021 0.00068 0.00002 0.00016 -0.00006 171 172 173 174 175 171 21 C 1S 2.04988 172 2S -0.01438 0.34507 173 2PX 0.00000 0.00000 0.38992 174 2PY 0.00000 0.00000 0.00000 0.29478 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.46072 176 3S -0.02752 0.21127 0.00000 0.00000 0.00000 177 3PX 0.00000 0.00000 0.07401 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 -0.00180 0.03145 0.06349 0.00000 0.03566 187 2S -0.00075 0.01103 0.03863 0.00000 0.02491 188 23 H 1S -0.00195 0.03454 0.00450 0.00000 0.09811 189 2S -0.00120 0.01835 0.00137 0.00000 0.05859 176 177 178 179 180 176 3S 0.23162 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 0.04236 0.02814 0.00000 0.01372 0.00400 187 2S 0.02201 0.01757 0.00000 0.00989 0.00634 188 23 H 1S 0.03952 0.00464 0.00000 0.04427 -0.00138 189 2S 0.02207 0.00351 0.00000 0.03579 -0.00403 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 -0.00149 -0.00044 0.00000 0.00466 0.00000 187 2S -0.00354 -0.00223 0.00000 0.00131 0.00000 188 23 H 1S -0.00137 0.00799 0.00000 0.00138 0.00000 189 2S -0.00220 0.00714 0.00000 0.00041 0.00000 186 187 188 189 186 22 H 1S 0.22403 187 2S 0.12519 0.21156 188 23 H 1S -0.00071 -0.01252 0.22384 189 2S -0.01130 -0.04313 0.11188 0.15548 Gross orbital populations: 1 1 1 C 1S 1.99196 2 2S 0.70788 3 2PX 0.60697 4 2PY 0.74878 5 2PZ 0.72128 6 3S 0.49776 7 3PX 0.40281 8 3PY 0.20001 9 3PZ 0.21535 10 4XX -0.01974 11 4YY 0.00166 12 4ZZ 0.00312 13 4XY 0.00646 14 4XZ 0.00532 15 4YZ 0.01200 16 2 C 1S 1.99196 17 2S 0.70788 18 2PX 0.60696 19 2PY 0.74878 20 2PZ 0.72129 21 3S 0.49775 22 3PX 0.40281 23 3PY 0.20002 24 3PZ 0.21532 25 4XX -0.01975 26 4YY 0.00166 27 4ZZ 0.00312 28 4XY 0.00646 29 4XZ 0.00532 30 4YZ 0.01200 31 3 H 1S 0.53326 32 2S 0.34345 33 4 H 1S 0.53326 34 2S 0.34344 35 5 C 1S 1.99262 36 2S 0.70375 37 2PX 0.60228 38 2PY 0.72575 39 2PZ 0.69714 40 3S 0.58678 41 3PX 0.33967 42 3PY 0.24542 43 3PZ 0.24621 44 4XX -0.01606 45 4YY 0.01166 46 4ZZ -0.00554 47 4XY 0.00345 48 4XZ 0.00783 49 4YZ 0.00693 50 6 H 1S 0.53316 51 2S 0.34212 52 7 C 1S 1.99262 53 2S 0.70375 54 2PX 0.60225 55 2PY 0.72573 56 2PZ 0.69719 57 3S 0.58679 58 3PX 0.33972 59 3PY 0.24543 60 3PZ 0.24616 61 4XX -0.01606 62 4YY 0.01166 63 4ZZ -0.00554 64 4XY 0.00345 65 4XZ 0.00783 66 4YZ 0.00693 67 8 H 1S 0.53316 68 2S 0.34211 69 9 C 1S 1.99218 70 2S 0.68146 71 2PX 0.70886 72 2PY 0.68425 73 2PZ 0.71025 74 3S 0.58576 75 3PX 0.31162 76 3PY 0.27242 77 3PZ 0.30475 78 4XX 0.00442 79 4YY -0.00230 80 4ZZ 0.00462 81 4XY 0.00713 82 4XZ 0.00536 83 4YZ 0.00752 84 10 H 1S 0.52925 85 2S 0.32172 86 11 H 1S 0.53342 87 2S 0.33923 88 12 C 1S 1.99218 89 2S 0.68146 90 2PX 0.70887 91 2PY 0.68425 92 2PZ 0.71024 93 3S 0.58576 94 3PX 0.31161 95 3PY 0.27242 96 3PZ 0.30475 97 4XX 0.00442 98 4YY -0.00230 99 4ZZ 0.00462 100 4XY 0.00714 101 4XZ 0.00535 102 4YZ 0.00751 103 13 H 1S 0.53342 104 2S 0.33924 105 14 H 1S 0.52925 106 2S 0.32172 107 15 C 1S 1.99220 108 2S 0.70368 109 2PX 0.60644 110 2PY 0.75456 111 2PZ 0.64392 112 3S 0.48908 113 3PX 0.27373 114 3PY 0.17607 115 3PZ 0.24780 116 4XX -0.00674 117 4YY 0.00491 118 4ZZ -0.00147 119 4XY 0.01211 120 4XZ 0.01183 121 4YZ 0.01347 122 16 H 1S 0.52886 123 2S 0.31108 124 17 C 1S 1.99220 125 2S 0.70368 126 2PX 0.60644 127 2PY 0.75458 128 2PZ 0.64391 129 3S 0.48907 130 3PX 0.27374 131 3PY 0.17608 132 3PZ 0.24778 133 4XX -0.00674 134 4YY 0.00492 135 4ZZ -0.00147 136 4XY 0.01211 137 4XZ 0.01183 138 4YZ 0.01347 139 18 H 1S 0.52886 140 2S 0.31107 141 19 O 1S 1.99235 142 2S 0.89849 143 2PX 0.90461 144 2PY 0.96622 145 2PZ 1.04403 146 3S 1.01132 147 3PX 0.48633 148 3PY 0.56110 149 3PZ 0.60067 150 4XX 0.00298 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 0.89848 158 2PX 0.90464 159 2PY 0.96626 160 2PZ 1.04401 161 3S 1.01129 162 3PX 0.48633 163 3PY 0.56109 164 3PZ 0.60064 165 4XX 0.00299 166 4YY -0.00142 167 4ZZ -0.00756 168 4XY 0.00877 169 4XZ 0.00462 170 4YZ 0.00584 171 21 C 1S 1.99194 172 2S 0.71161 173 2PX 0.67632 174 2PY 0.53364 175 2PZ 0.77482 176 3S 0.44897 177 3PX 0.18880 178 3PY 0.10122 179 3PZ 0.28845 180 4XX 0.00762 181 4YY 0.00402 182 4ZZ 0.01050 183 4XY 0.02513 184 4XZ 0.01633 185 4YZ 0.01270 186 22 H 1S 0.54065 187 2S 0.33334 188 23 H 1S 0.54104 189 2S 0.30638 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 4.863756 0.513847 0.366954 -0.050070 0.567550 -0.038392 2 C 0.513847 4.863724 -0.050070 0.366954 -0.040455 0.007059 3 H 0.366954 -0.050070 0.612035 -0.007056 -0.049077 -0.007911 4 H -0.050070 0.366954 -0.007056 0.612033 0.005863 -0.000146 5 C 0.567550 -0.040455 -0.049077 0.005863 4.996736 0.361731 6 H -0.038392 0.007059 -0.007911 -0.000146 0.361731 0.610150 7 C -0.040449 0.567557 0.005862 -0.049075 -0.023076 0.000197 8 H 0.007059 -0.038390 -0.000146 -0.007911 0.000197 -0.000003 9 C -0.024798 -0.030113 0.005622 -0.000116 0.371236 -0.053189 10 H -0.005810 0.001829 -0.000064 -0.000002 -0.034296 -0.000540 11 H 0.003490 0.000899 -0.000185 0.000016 -0.037699 -0.001214 12 C -0.030121 -0.024794 -0.000116 0.005622 -0.035088 0.005215 13 H 0.000900 0.003489 0.000016 -0.000185 0.001627 -0.000165 14 H 0.001826 -0.005802 -0.000002 -0.000064 0.002207 -0.000109 15 C -0.014270 -0.027140 0.000047 0.000247 0.108677 -0.008923 16 H -0.000241 0.001155 -0.000105 0.000012 -0.025376 0.000007 17 C -0.027140 -0.014289 0.000247 0.000046 -0.005094 0.000944 18 H 0.001156 -0.000242 0.000012 -0.000105 0.001566 -0.000045 19 O 0.001623 0.002493 0.000454 -0.000013 -0.020446 0.000695 20 O 0.002497 0.001626 -0.000013 0.000455 -0.000064 -0.000014 21 C 0.002094 0.002093 0.000109 0.000109 0.001062 -0.000074 22 H 0.000173 0.000173 0.000002 0.000002 -0.000104 0.000000 23 H -0.000026 -0.000027 0.000088 0.000088 0.000223 0.000003 7 8 9 10 11 12 1 C -0.040449 0.007059 -0.024798 -0.005810 0.003490 -0.030121 2 C 0.567557 -0.038390 -0.030113 0.001829 0.000899 -0.024794 3 H 0.005862 -0.000146 0.005622 -0.000064 -0.000185 -0.000116 4 H -0.049075 -0.007911 -0.000116 -0.000002 0.000016 0.005622 5 C -0.023076 0.000197 0.371236 -0.034296 -0.037699 -0.035088 6 H 0.000197 -0.000003 -0.053189 -0.000540 -0.001214 0.005215 7 C 4.996760 0.361725 -0.035094 0.002203 0.001631 0.371242 8 H 0.361725 0.610159 0.005215 -0.000109 -0.000165 -0.053192 9 C -0.035094 0.005215 5.075064 0.368642 0.356919 0.329150 10 H 0.002203 -0.000109 0.368642 0.601479 -0.043447 -0.035157 11 H 0.001631 -0.000165 0.356919 -0.043447 0.625226 -0.028746 12 C 0.371242 -0.053192 0.329150 -0.035157 -0.028746 5.075093 13 H -0.037718 -0.001209 -0.028744 0.004713 -0.011487 0.356904 14 H -0.034283 -0.000544 -0.035152 -0.010679 0.004709 0.368639 15 C -0.005104 0.000945 -0.016329 0.002106 -0.005285 -0.008678 16 H 0.001566 -0.000045 -0.002061 -0.000275 0.007906 0.000177 17 C 0.108700 -0.008928 -0.008676 0.000388 0.000464 -0.016335 18 H -0.025395 0.000007 0.000178 0.000014 -0.000510 -0.002070 19 O -0.000062 -0.000014 0.000367 -0.000024 0.000142 0.000171 20 O -0.020450 0.000694 0.000172 -0.000001 -0.000004 0.000367 21 C 0.001062 -0.000074 0.000003 0.000000 -0.000011 0.000003 22 H -0.000105 0.000000 0.000003 0.000000 0.000001 0.000003 23 H 0.000223 0.000003 -0.000003 0.000000 -0.000001 -0.000003 13 14 15 16 17 18 1 C 0.000900 0.001826 -0.014270 -0.000241 -0.027140 0.001156 2 C 0.003489 -0.005802 -0.027140 0.001155 -0.014289 -0.000242 3 H 0.000016 -0.000002 0.000047 -0.000105 0.000247 0.000012 4 H -0.000185 -0.000064 0.000247 0.000012 0.000046 -0.000105 5 C 0.001627 0.002207 0.108677 -0.025376 -0.005094 0.001566 6 H -0.000165 -0.000109 -0.008923 0.000007 0.000944 -0.000045 7 C -0.037718 -0.034283 -0.005104 0.001566 0.108700 -0.025395 8 H -0.001209 -0.000544 0.000945 -0.000045 -0.008928 0.000007 9 C -0.028744 -0.035152 -0.016329 -0.002061 -0.008676 0.000178 10 H 0.004713 -0.010679 0.002106 -0.000275 0.000388 0.000014 11 H -0.011487 0.004709 -0.005285 0.007906 0.000464 -0.000510 12 C 0.356904 0.368639 -0.008678 0.000177 -0.016335 -0.002070 13 H 0.625267 -0.043452 0.000464 -0.000511 -0.005292 0.007918 14 H -0.043452 0.601472 0.000388 0.000014 0.002107 -0.000275 15 C 0.000464 0.000388 4.925827 0.363412 0.511375 -0.045551 16 H -0.000511 0.000014 0.363412 0.566950 -0.045550 -0.000242 17 C -0.005292 0.002107 0.511375 -0.045550 4.925842 0.363411 18 H 0.007918 -0.000275 -0.045551 -0.000242 0.363411 0.566953 19 O -0.000004 -0.000001 0.232651 -0.034868 -0.040895 0.002094 20 O 0.000142 -0.000024 -0.040901 0.002095 0.232649 -0.034864 21 C -0.000011 0.000000 -0.062511 0.005511 -0.062518 0.005511 22 H 0.000001 0.000000 0.005054 0.000721 0.005051 0.000721 23 H -0.000001 0.000000 0.005084 -0.000316 0.005088 -0.000316 19 20 21 22 23 1 C 0.001623 0.002497 0.002094 0.000173 -0.000026 2 C 0.002493 0.001626 0.002093 0.000173 -0.000027 3 H 0.000454 -0.000013 0.000109 0.000002 0.000088 4 H -0.000013 0.000455 0.000109 0.000002 0.000088 5 C -0.020446 -0.000064 0.001062 -0.000104 0.000223 6 H 0.000695 -0.000014 -0.000074 0.000000 0.000003 7 C -0.000062 -0.020450 0.001062 -0.000105 0.000223 8 H -0.000014 0.000694 -0.000074 0.000000 0.000003 9 C 0.000367 0.000172 0.000003 0.000003 -0.000003 10 H -0.000024 -0.000001 0.000000 0.000000 0.000000 11 H 0.000142 -0.000004 -0.000011 0.000001 -0.000001 12 C 0.000171 0.000367 0.000003 0.000003 -0.000003 13 H -0.000004 0.000142 -0.000011 0.000001 -0.000001 14 H -0.000001 -0.000024 0.000000 0.000000 0.000000 15 C 0.232651 -0.040901 -0.062511 0.005054 0.005084 16 H -0.034868 0.002095 0.005511 0.000721 -0.000316 17 C -0.040895 0.232649 -0.062518 0.005051 0.005088 18 H 0.002094 -0.034864 0.005511 0.000721 -0.000316 19 O 8.198890 -0.046017 0.265658 -0.050468 -0.034080 20 O -0.046017 8.198854 0.265683 -0.050476 -0.034082 21 C 0.265658 0.265683 4.653399 0.344924 0.370048 22 H -0.050468 -0.050476 0.344924 0.685957 -0.067647 23 H -0.034080 -0.034082 0.370048 -0.067647 0.603075 Mulliken charges: 1 1 C -0.101606 2 C -0.101576 3 H 0.123297 4 H 0.123299 5 C -0.147900 6 H 0.124724 7 C -0.147917 8 H 0.124725 9 C -0.278298 10 H 0.149028 11 H 0.127352 12 C -0.278287 13 H 0.127338 14 H 0.149023 15 C 0.078412 16 H 0.160063 17 C 0.078405 18 H 0.160074 19 O -0.478347 20 O -0.478324 21 C 0.207925 22 H 0.126013 23 H 0.152578 Sum of Mulliken charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C 0.021691 2 C 0.021722 5 C -0.023176 7 C -0.023193 9 C -0.001918 12 C -0.001926 15 C 0.238475 17 C 0.238480 19 O -0.478347 20 O -0.478324 21 C 0.486516 APT charges: 1 1 C -0.457324 2 C -0.457290 3 H 0.484408 4 H 0.484426 5 C -0.547888 6 H 0.474800 7 C -0.547888 8 H 0.474790 9 C -0.929020 10 H 0.582077 11 H 0.388760 12 C -0.928906 13 H 0.388597 14 H 0.582146 15 C -0.367706 16 H 0.471994 17 C -0.367725 18 H 0.471996 19 O -0.293051 20 O -0.293011 21 C -0.634931 22 H 0.553550 23 H 0.467197 Sum of APT charges = 0.00000 APT charges with hydrogens summed into heavy atoms: 1 1 C 0.027083 2 C 0.027136 5 C -0.073088 7 C -0.073097 9 C 0.041817 12 C 0.041837 15 C 0.104289 17 C 0.104271 19 O -0.293051 20 O -0.293011 21 C 0.385816 Electronic spatial extent (au): = 1485.1365 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= -0.1277 Y= -0.0004 Z= -1.0840 Tot= 1.0915 Quadrupole moment (field-independent basis, Debye-Ang): XX= -63.5576 YY= -66.3030 ZZ= -62.1438 XY= -0.0008 XZ= 2.8242 YZ= 0.0009 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 0.4439 YY= -2.3016 ZZ= 1.8577 XY= -0.0008 XZ= 2.8242 YZ= 0.0009 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 28.7683 YYY= -0.0020 ZZZ= -0.9045 XYY= -4.0791 XXY= -0.0005 XXZ= 0.4504 XZZ= 11.0206 YZZ= 0.0009 YYZ= -2.8062 XYZ= 0.0016 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1039.8693 YYYY= -453.5182 ZZZZ= -374.8171 XXXY= -0.0001 XXXZ= 18.8557 YYYX= -0.0022 YYYZ= 0.0013 ZZZX= 10.3966 ZZZY= -0.0056 XXYY= -281.2155 XXZZ= -255.2207 YYZZ= -134.4997 XXYZ= 0.0062 YYXZ= 1.1863 ZZXY= -0.0007 N-N= 6.491497694038D+02 E-N=-2.463407323062D+03 KE= 4.958692959933D+02 Orbital energies and kinetic energies (alpha): 1 2 1 O -19.168150 29.026238 2 O -19.168143 29.026381 3 O -10.286019 15.888299 4 O -10.237379 15.880867 5 O -10.236772 15.892191 6 O -10.185784 15.881676 7 O -10.185613 15.887768 8 O -10.184999 15.891042 9 O -10.184982 15.885376 10 O -10.169178 15.876564 11 O -10.168688 15.886139 12 O -1.102112 2.290468 13 O -1.006406 2.783781 14 O -0.830584 1.393775 15 O -0.761099 1.732921 16 O -0.735993 1.473515 17 O -0.729959 1.511907 18 O -0.641461 1.871421 19 O -0.607850 1.696759 20 O -0.606734 1.505129 21 O -0.585296 1.405905 22 O -0.528809 1.344195 23 O -0.500669 1.235647 24 O -0.494693 0.988542 25 O -0.470843 1.372465 26 O -0.453094 1.129705 27 O -0.451443 1.558031 28 O -0.439883 1.455847 29 O -0.408474 1.373785 30 O -0.397518 1.222881 31 O -0.388483 1.335170 32 O -0.379530 1.738092 33 O -0.362683 1.577270 34 O -0.351210 2.030383 35 O -0.345827 1.372139 36 O -0.328500 2.080112 37 O -0.322520 1.474687 38 O -0.317248 1.376125 39 O -0.274646 1.485731 40 O -0.196483 1.364477 41 O -0.190517 1.731246 42 V -0.004619 1.485939 43 V 0.015431 1.609495 44 V 0.081002 0.915248 45 V 0.109310 1.687708 46 V 0.112676 1.183758 47 V 0.119650 0.934080 48 V 0.130579 1.027792 49 V 0.133835 1.168533 50 V 0.145666 1.769709 51 V 0.154505 1.476246 52 V 0.169648 1.340512 53 V 0.171652 1.165965 54 V 0.175192 1.480659 55 V 0.180017 1.673964 56 V 0.197235 1.280023 57 V 0.202998 1.210212 58 V 0.212510 2.247494 59 V 0.242898 1.377370 60 V 0.243186 1.426351 61 V 0.247893 1.298377 62 V 0.305768 1.659866 63 V 0.317429 1.461587 64 V 0.328668 1.784368 65 V 0.375844 2.420584 66 V 0.435525 1.974871 67 V 0.470781 1.836082 68 V 0.482677 1.849503 69 V 0.487316 1.723732 70 V 0.505738 1.943616 71 V 0.530409 2.089054 72 V 0.534098 2.108809 73 V 0.546822 2.682764 74 V 0.570170 2.010605 75 V 0.573647 2.105128 76 V 0.582503 1.892924 77 V 0.582921 2.333198 78 V 0.605967 2.037523 79 V 0.626448 1.941505 80 V 0.646684 2.544742 81 V 0.651716 2.585766 82 V 0.680286 2.396496 83 V 0.691770 2.207453 84 V 0.725479 2.419976 85 V 0.738149 2.502919 86 V 0.747108 2.102220 87 V 0.763060 2.595428 88 V 0.804859 2.689967 89 V 0.813032 2.493383 90 V 0.824739 2.636224 91 V 0.835676 2.550333 92 V 0.847816 2.543871 93 V 0.849114 2.717463 94 V 0.859116 2.467521 95 V 0.866604 2.758927 96 V 0.882301 2.477141 97 V 0.888055 2.763393 98 V 0.891082 2.716562 99 V 0.897251 2.421040 100 V 0.904015 2.640420 101 V 0.919500 2.645907 102 V 0.950552 2.581702 103 V 0.962275 2.723196 104 V 0.973369 2.502674 105 V 0.985601 2.701743 106 V 1.011358 2.626879 107 V 1.053445 2.444060 108 V 1.076123 2.863404 109 V 1.120434 2.670368 110 V 1.129677 2.448738 111 V 1.140318 2.491329 112 V 1.148112 2.912281 113 V 1.199616 2.731651 114 V 1.202989 2.410012 115 V 1.251520 2.443008 116 V 1.289980 2.614835 117 V 1.314328 3.088131 118 V 1.329335 2.513796 119 V 1.399915 2.550910 120 V 1.415039 2.593799 121 V 1.441404 2.613826 122 V 1.462980 2.614756 123 V 1.486728 2.665690 124 V 1.533140 2.751288 125 V 1.563875 2.815563 126 V 1.584142 2.784671 127 V 1.629006 2.826462 128 V 1.644028 2.794681 129 V 1.679851 2.875079 130 V 1.732423 2.883883 131 V 1.746841 2.873343 132 V 1.759802 3.108731 133 V 1.792165 3.008144 134 V 1.857998 3.081157 135 V 1.870893 3.167648 136 V 1.893816 3.375198 137 V 1.898639 3.266017 138 V 1.944179 3.272836 139 V 1.961285 3.454000 140 V 1.963132 3.439946 141 V 1.988871 3.731244 142 V 2.013166 3.677579 143 V 2.015466 3.676421 144 V 2.023244 3.500500 145 V 2.059260 3.569056 146 V 2.077821 3.498389 147 V 2.098829 3.469771 148 V 2.113568 3.535475 149 V 2.181229 3.674443 150 V 2.183724 3.631559 151 V 2.237848 3.551361 152 V 2.261896 3.625858 153 V 2.278229 3.580944 154 V 2.279635 3.533996 155 V 2.316288 3.724514 156 V 2.318614 3.591509 157 V 2.372401 3.754125 158 V 2.414595 3.847201 159 V 2.448603 3.809400 160 V 2.459897 3.794913 161 V 2.464062 3.874413 162 V 2.482329 3.840159 163 V 2.510900 4.035302 164 V 2.550405 3.953405 165 V 2.590779 4.382837 166 V 2.633653 4.414804 167 V 2.648753 4.252936 168 V 2.674131 4.230553 169 V 2.691906 4.389540 170 V 2.701511 4.314826 171 V 2.754759 4.306819 172 V 2.767594 4.287609 173 V 2.803467 4.638547 174 V 2.888681 4.501847 175 V 2.896749 4.660086 176 V 2.943395 4.756895 177 V 3.132759 4.935443 178 V 3.137584 4.878506 179 V 4.011882 10.923903 180 V 4.124324 10.774042 181 V 4.127738 10.127372 182 V 4.223123 10.317895 183 V 4.288361 10.231840 184 V 4.360769 10.435657 185 V 4.379924 10.329846 186 V 4.448626 10.394576 187 V 4.509004 10.502699 188 V 4.603267 10.567503 189 V 4.870967 11.529717 Total kinetic energy from orbitals= 4.958692959933D+02 Exact polarizability: 0.000 0.000 0.000 0.000 0.000 0.000 Approx polarizability: 162.474 0.003 175.999 -16.889 -0.001 166.127 Calling FoFJK, ICntrl= 100147 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000000844 -0.000000404 -0.000000019 2 6 -0.000002672 0.000000123 0.000002595 3 1 -0.000000756 -0.000000087 -0.000000363 4 1 -0.000001943 0.000000219 -0.000000308 5 6 0.000000022 -0.000002779 -0.000003125 6 1 0.000001842 -0.000000296 -0.000001726 7 6 0.000003252 0.000000094 -0.000001189 8 1 -0.000002154 0.000000075 0.000000493 9 6 -0.000000833 0.000001652 -0.000000039 10 1 0.000000339 0.000000659 -0.000003063 11 1 0.000001470 0.000000349 -0.000000902 12 6 -0.000000379 -0.000001424 -0.000001252 13 1 0.000000112 -0.000000947 -0.000000516 14 1 0.000000954 -0.000000266 -0.000001371 15 6 0.000003383 0.000007949 0.000005093 16 1 -0.000000292 0.000000754 0.000001871 17 6 -0.000004093 0.000009002 -0.000000150 18 1 0.000002106 0.000000737 -0.000001676 19 8 0.000001419 -0.000018359 -0.000004575 20 8 -0.000001533 -0.000021578 0.000006441 21 6 0.000001448 0.000019651 0.000000644 22 1 0.000000989 0.000006699 0.000002036 23 1 -0.000001839 -0.000001823 0.000001102 ------------------------------------------------------------------- Cartesian Forces: Max 0.000021578 RMS 0.000004832 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max 0.000014313 RMS 0.000002239 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 --- -0.02815 0.00047 0.00207 0.00262 0.00320 Eigenvalues --- 0.00509 0.00839 0.01271 0.01404 0.01457 Eigenvalues --- 0.01608 0.01637 0.01909 0.02001 0.02555 Eigenvalues --- 0.02822 0.03233 0.03250 0.03519 0.03646 Eigenvalues --- 0.03880 0.03981 0.04419 0.04942 0.05118 Eigenvalues --- 0.05644 0.05955 0.06977 0.07201 0.08429 Eigenvalues --- 0.08962 0.09810 0.10320 0.11073 0.11541 Eigenvalues --- 0.11834 0.12364 0.13155 0.14699 0.17379 Eigenvalues --- 0.22025 0.23169 0.24435 0.26721 0.28153 Eigenvalues --- 0.29530 0.29696 0.31246 0.32495 0.32656 Eigenvalues --- 0.32770 0.33124 0.34547 0.35130 0.35372 Eigenvalues --- 0.35380 0.35551 0.35788 0.35961 0.40531 Eigenvalues --- 0.42060 0.42957 0.43982 Eigenvectors required to have negative eigenvalues: R8 R11 D80 D78 D90 1 0.54416 0.54416 -0.16001 0.15995 0.14215 D83 D12 D6 D35 D19 1 -0.14210 0.12528 -0.12527 -0.11899 0.11899 RFO step: Lambda0=9.384744024D-11 Lambda=-1.04852014D-08. Linear search not attempted -- option 19 set. Iteration 1 RMS(Cart)= 0.00020464 RMS(Int)= 0.00000004 Iteration 2 RMS(Cart)= 0.00000005 RMS(Int)= 0.00000001 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.66722 0.00000 0.00000 0.00000 0.00000 2.66722 R2 2.05428 0.00000 0.00000 0.00000 0.00000 2.05428 R3 2.61306 0.00000 0.00000 0.00000 0.00000 2.61306 R4 2.05428 0.00000 0.00000 0.00000 0.00000 2.05428 R5 2.61307 0.00000 0.00000 -0.00001 -0.00001 2.61306 R6 2.05777 0.00000 0.00000 0.00000 0.00000 2.05777 R7 2.86224 0.00000 0.00000 0.00000 0.00000 2.86224 R8 4.34847 0.00000 0.00000 -0.00015 -0.00015 4.34833 R9 2.05778 0.00000 0.00000 0.00000 0.00000 2.05777 R10 2.86224 0.00000 0.00000 0.00000 0.00000 2.86224 R11 4.34810 0.00000 0.00000 0.00022 0.00022 4.34832 R12 2.07629 0.00000 0.00000 0.00000 0.00000 2.07629 R13 2.07552 0.00000 0.00000 0.00001 0.00001 2.07553 R14 2.94355 0.00000 0.00000 0.00001 0.00001 2.94355 R15 4.42257 0.00000 0.00000 -0.00058 -0.00058 4.42199 R16 2.07553 0.00000 0.00000 -0.00001 -0.00001 2.07553 R17 2.07629 0.00000 0.00000 0.00000 0.00000 2.07629 R18 4.42154 0.00000 0.00000 0.00045 0.00045 4.42199 R19 2.04356 0.00000 0.00000 0.00000 0.00000 2.04356 R20 2.61426 0.00000 0.00000 -0.00001 -0.00001 2.61425 R21 2.63216 -0.00001 0.00000 -0.00003 -0.00003 2.63212 R22 2.04356 0.00000 0.00000 0.00000 0.00000 2.04356 R23 2.63209 0.00001 0.00000 0.00003 0.00003 2.63212 R24 2.68445 -0.00001 0.00000 -0.00005 -0.00005 2.68440 R25 2.68433 0.00001 0.00000 0.00006 0.00006 2.68440 R26 2.08725 0.00000 0.00000 0.00000 0.00000 2.08725 R27 2.06655 0.00000 0.00000 0.00000 0.00000 2.06655 A1 2.09024 0.00000 0.00000 0.00000 0.00000 2.09024 A2 2.06893 0.00000 0.00000 0.00000 0.00000 2.06893 A3 2.09669 0.00000 0.00000 -0.00001 -0.00001 2.09668 A4 2.09024 0.00000 0.00000 0.00000 0.00000 2.09024 A5 2.06894 0.00000 0.00000 0.00000 0.00000 2.06893 A6 2.09667 0.00000 0.00000 0.00001 0.00001 2.09668 A7 2.07696 0.00000 0.00000 -0.00001 -0.00001 2.07695 A8 2.10602 0.00000 0.00000 0.00005 0.00005 2.10607 A9 1.69848 0.00000 0.00000 0.00001 0.00001 1.69849 A10 2.02370 0.00000 0.00000 -0.00001 -0.00001 2.02368 A11 1.73631 0.00000 0.00000 -0.00005 -0.00005 1.73626 A12 1.64396 0.00000 0.00000 -0.00003 -0.00003 1.64393 A13 2.07694 0.00000 0.00000 0.00001 0.00001 2.07695 A14 2.10611 0.00000 0.00000 -0.00004 -0.00004 2.10607 A15 1.69847 0.00000 0.00000 0.00002 0.00002 1.69849 A16 2.02368 0.00000 0.00000 0.00001 0.00001 2.02368 A17 1.73623 0.00000 0.00000 0.00003 0.00003 1.73626 A18 1.64392 0.00000 0.00000 0.00001 0.00001 1.64394 A19 1.88594 0.00000 0.00000 0.00003 0.00003 1.88597 A20 1.92276 0.00000 0.00000 -0.00002 -0.00002 1.92274 A21 1.96918 0.00000 0.00000 -0.00001 -0.00001 1.96917 A22 1.83826 0.00000 0.00000 -0.00002 -0.00002 1.83825 A23 1.90561 0.00000 0.00000 0.00001 0.00001 1.90562 A24 1.93666 0.00000 0.00000 0.00001 0.00001 1.93667 A25 1.77293 0.00000 0.00000 0.00019 0.00019 1.77312 A26 1.96917 0.00000 0.00000 0.00000 0.00000 1.96917 A27 1.92272 0.00000 0.00000 0.00002 0.00002 1.92274 A28 1.88600 0.00000 0.00000 -0.00003 -0.00003 1.88597 A29 1.93666 0.00000 0.00000 0.00000 0.00000 1.93667 A30 1.90562 0.00000 0.00000 0.00000 0.00000 1.90562 A31 1.83824 0.00000 0.00000 0.00001 0.00001 1.83825 A32 1.77329 0.00000 0.00000 -0.00017 -0.00017 1.77312 A33 1.54617 0.00000 0.00000 -0.00012 -0.00012 1.54605 A34 1.86835 0.00000 0.00000 0.00003 0.00003 1.86838 A35 1.78474 0.00000 0.00000 0.00010 0.00010 1.78483 A36 2.22088 0.00000 0.00000 0.00001 0.00001 2.22089 A37 2.03263 0.00000 0.00000 0.00001 0.00001 2.03264 A38 1.90158 0.00000 0.00000 -0.00002 -0.00002 1.90156 A39 1.81548 0.00000 0.00000 -0.00007 -0.00007 1.81541 A40 1.86842 0.00000 0.00000 -0.00003 -0.00003 1.86838 A41 1.54598 0.00000 0.00000 0.00007 0.00007 1.54605 A42 1.78489 0.00000 0.00000 -0.00006 -0.00006 1.78483 A43 2.22089 0.00000 0.00000 -0.00001 -0.00001 2.22089 A44 1.90153 0.00000 0.00000 0.00003 0.00003 1.90156 A45 2.03266 0.00000 0.00000 -0.00002 -0.00002 2.03264 A46 1.81528 0.00000 0.00000 0.00013 0.00013 1.81541 A47 1.84718 0.00001 0.00000 0.00004 0.00004 1.84721 A48 1.84725 -0.00001 0.00000 -0.00004 -0.00004 1.84721 A49 1.87260 0.00000 0.00000 0.00000 0.00000 1.87260 A50 1.91797 -0.00001 0.00000 -0.00002 -0.00002 1.91795 A51 1.91218 0.00000 0.00000 0.00002 0.00002 1.91220 A52 1.91792 0.00001 0.00000 0.00003 0.00003 1.91795 A53 1.91223 0.00000 0.00000 -0.00003 -0.00003 1.91220 A54 1.93004 0.00000 0.00000 0.00000 0.00000 1.93005 D1 0.00002 0.00000 0.00000 -0.00002 -0.00002 0.00000 D2 -2.89292 0.00000 0.00000 -0.00007 -0.00007 -2.89299 D3 2.89307 0.00000 0.00000 -0.00009 -0.00009 2.89298 D4 0.00013 0.00000 0.00000 -0.00013 -0.00013 0.00000 D5 -2.98730 0.00000 0.00000 0.00006 0.00006 -2.98724 D6 0.58098 0.00000 0.00000 -0.00002 -0.00002 0.58096 D7 -1.15235 0.00000 0.00000 0.00000 0.00000 -1.15234 D8 -0.09520 0.00000 0.00000 0.00000 0.00000 -0.09520 D9 -2.81011 0.00000 0.00000 -0.00008 -0.00008 -2.81018 D10 1.73975 0.00000 0.00000 -0.00006 -0.00006 1.73970 D11 2.98720 0.00000 0.00000 0.00005 0.00005 2.98724 D12 -0.58094 0.00000 0.00000 -0.00002 -0.00002 -0.58096 D13 1.15235 0.00000 0.00000 -0.00001 -0.00001 1.15235 D14 0.09519 0.00000 0.00000 0.00001 0.00001 0.09520 D15 2.81025 0.00000 0.00000 -0.00006 -0.00006 2.81018 D16 -1.73965 0.00000 0.00000 -0.00005 -0.00005 -1.73970 D17 1.55774 0.00000 0.00000 0.00035 0.00035 1.55809 D18 -2.72576 0.00000 0.00000 0.00034 0.00034 -2.72542 D19 -0.55079 0.00000 0.00000 0.00032 0.00032 -0.55047 D20 -1.16956 0.00000 0.00000 0.00028 0.00028 -1.16928 D21 0.83013 0.00000 0.00000 0.00026 0.00026 0.83039 D22 3.00510 0.00000 0.00000 0.00025 0.00025 3.00534 D23 -2.96155 0.00000 0.00000 0.00035 0.00035 -2.96120 D24 -0.96186 0.00000 0.00000 0.00034 0.00034 -0.96153 D25 1.21310 0.00000 0.00000 0.00032 0.00032 1.21342 D26 -3.04010 0.00000 0.00000 0.00024 0.00024 -3.03986 D27 0.99625 0.00000 0.00000 0.00026 0.00026 0.99651 D28 -1.00168 0.00000 0.00000 0.00023 0.00023 -1.00145 D29 -0.92594 0.00000 0.00000 0.00022 0.00022 -0.92572 D30 3.11041 0.00000 0.00000 0.00025 0.00025 3.11066 D31 1.11248 0.00000 0.00000 0.00022 0.00022 1.11270 D32 1.11956 0.00000 0.00000 0.00019 0.00019 1.11975 D33 -1.12728 0.00000 0.00000 0.00022 0.00022 -1.12706 D34 -3.12520 0.00000 0.00000 0.00019 0.00019 -3.12502 D35 0.55015 0.00000 0.00000 0.00033 0.00033 0.55048 D36 2.72508 0.00000 0.00000 0.00035 0.00035 2.72543 D37 -1.55843 0.00000 0.00000 0.00035 0.00035 -1.55809 D38 -3.00560 0.00000 0.00000 0.00026 0.00026 -3.00534 D39 -0.83067 0.00000 0.00000 0.00028 0.00028 -0.83039 D40 1.16900 0.00000 0.00000 0.00028 0.00028 1.16928 D41 -1.21373 0.00000 0.00000 0.00031 0.00031 -1.21342 D42 0.96120 0.00000 0.00000 0.00033 0.00033 0.96153 D43 2.96087 0.00000 0.00000 0.00033 0.00033 2.96120 D44 -0.99678 0.00000 0.00000 0.00027 0.00027 -0.99651 D45 3.03961 0.00000 0.00000 0.00026 0.00026 3.03987 D46 1.00119 0.00000 0.00000 0.00026 0.00026 1.00145 D47 -3.11090 0.00000 0.00000 0.00025 0.00025 -3.11065 D48 0.92549 0.00000 0.00000 0.00024 0.00024 0.92572 D49 -1.11294 0.00000 0.00000 0.00024 0.00024 -1.11270 D50 1.12683 0.00000 0.00000 0.00023 0.00023 1.12706 D51 -1.11997 0.00000 0.00000 0.00022 0.00022 -1.11975 D52 3.12479 0.00000 0.00000 0.00022 0.00022 3.12502 D53 0.62018 0.00000 0.00000 -0.00039 -0.00039 0.61980 D54 2.64993 0.00000 0.00000 -0.00037 -0.00037 2.64956 D55 -1.57335 0.00000 0.00000 -0.00036 -0.00036 -1.57371 D56 0.00044 0.00000 0.00000 -0.00044 -0.00044 0.00000 D57 -2.16685 0.00000 0.00000 -0.00047 -0.00047 -2.16732 D58 2.09779 0.00000 0.00000 -0.00048 -0.00048 2.09731 D59 -2.09684 0.00000 0.00000 -0.00048 -0.00048 -2.09732 D60 2.01906 0.00000 0.00000 -0.00051 -0.00051 2.01855 D61 0.00052 0.00000 0.00000 -0.00052 -0.00052 0.00000 D62 2.16779 0.00000 0.00000 -0.00047 -0.00047 2.16731 D63 0.00050 0.00000 0.00000 -0.00050 -0.00050 0.00000 D64 -2.01804 0.00000 0.00000 -0.00051 -0.00051 -2.01855 D65 0.34091 0.00000 0.00000 0.00058 0.00058 0.34150 D66 -0.61940 0.00000 0.00000 -0.00040 -0.00040 -0.61980 D67 1.57408 0.00000 0.00000 -0.00037 -0.00037 1.57371 D68 -2.64919 0.00000 0.00000 -0.00037 -0.00037 -2.64956 D69 -0.34206 0.00000 0.00000 0.00057 0.00057 -0.34149 D70 -0.64728 0.00000 0.00000 -0.00029 -0.00029 -0.64757 D71 1.28075 0.00000 0.00000 -0.00035 -0.00035 1.28041 D72 -2.44499 0.00000 0.00000 -0.00034 -0.00034 -2.44533 D73 0.00029 0.00000 0.00000 -0.00029 -0.00029 0.00000 D74 1.77308 0.00000 0.00000 -0.00023 -0.00023 1.77285 D75 -1.91772 0.00000 0.00000 -0.00022 -0.00022 -1.91794 D76 -1.77268 0.00000 0.00000 -0.00017 -0.00017 -1.77285 D77 0.00011 0.00000 0.00000 -0.00011 -0.00011 0.00000 D78 2.59249 0.00000 0.00000 -0.00010 -0.00010 2.59239 D79 1.91812 0.00000 0.00000 -0.00018 -0.00018 1.91794 D80 -2.59228 0.00000 0.00000 -0.00012 -0.00012 -2.59240 D81 0.00011 0.00000 0.00000 -0.00011 -0.00011 0.00000 D82 2.16050 0.00000 0.00000 0.00015 0.00015 2.16065 D83 -2.47181 0.00000 0.00000 0.00007 0.00007 -2.47174 D84 0.18709 0.00000 0.00000 0.00008 0.00008 0.18717 D85 0.64786 0.00000 0.00000 -0.00029 -0.00029 0.64757 D86 -1.28011 0.00000 0.00000 -0.00030 -0.00030 -1.28041 D87 2.44565 0.00000 0.00000 -0.00032 -0.00032 2.44533 D88 -2.16081 0.00000 0.00000 0.00015 0.00015 -2.16065 D89 -0.18726 0.00000 0.00000 0.00010 0.00010 -0.18717 D90 2.47163 0.00000 0.00000 0.00011 0.00011 2.47174 D91 -0.30141 0.00000 0.00000 -0.00002 -0.00002 -0.30144 D92 1.78325 0.00000 0.00000 0.00000 0.00000 1.78325 D93 -2.37604 0.00000 0.00000 0.00000 0.00000 -2.37604 D94 0.30149 0.00000 0.00000 -0.00005 -0.00005 0.30144 D95 -1.78321 0.00000 0.00000 -0.00004 -0.00004 -1.78325 D96 2.37608 0.00000 0.00000 -0.00005 -0.00005 2.37604 Item Value Threshold Converged? Maximum Force 0.000014 0.000450 YES RMS Force 0.000002 0.000300 YES Maximum Displacement 0.000945 0.001800 YES RMS Displacement 0.000205 0.001200 YES Predicted change in Energy=-5.195677D-09 Optimization completed. -- Stationary point found. ---------------------------- ! Optimized Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.4114 -DE/DX = 0.0 ! ! R2 R(1,3) 1.0871 -DE/DX = 0.0 ! ! R3 R(1,5) 1.3828 -DE/DX = 0.0 ! ! R4 R(2,4) 1.0871 -DE/DX = 0.0 ! ! R5 R(2,7) 1.3828 -DE/DX = 0.0 ! ! R6 R(5,6) 1.0889 -DE/DX = 0.0 ! ! R7 R(5,9) 1.5146 -DE/DX = 0.0 ! ! R8 R(5,15) 2.3011 -DE/DX = 0.0 ! ! R9 R(7,8) 1.0889 -DE/DX = 0.0 ! ! R10 R(7,12) 1.5146 -DE/DX = 0.0 ! ! R11 R(7,17) 2.3009 -DE/DX = 0.0 ! ! R12 R(9,10) 1.0987 -DE/DX = 0.0 ! ! R13 R(9,11) 1.0983 -DE/DX = 0.0 ! ! R14 R(9,12) 1.5577 -DE/DX = 0.0 ! ! R15 R(11,16) 2.3403 -DE/DX = 0.0 ! ! R16 R(12,13) 1.0983 -DE/DX = 0.0 ! ! R17 R(12,14) 1.0987 -DE/DX = 0.0 ! ! R18 R(13,18) 2.3398 -DE/DX = 0.0 ! ! R19 R(15,16) 1.0814 -DE/DX = 0.0 ! ! R20 R(15,17) 1.3834 -DE/DX = 0.0 ! ! R21 R(15,19) 1.3929 -DE/DX = 0.0 ! ! R22 R(17,18) 1.0814 -DE/DX = 0.0 ! ! R23 R(17,20) 1.3928 -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) 1.1045 -DE/DX = 0.0 ! ! R27 R(21,23) 1.0936 -DE/DX = 0.0 ! ! A1 A(2,1,3) 119.7621 -DE/DX = 0.0 ! ! A2 A(2,1,5) 118.5412 -DE/DX = 0.0 ! ! A3 A(3,1,5) 120.1316 -DE/DX = 0.0 ! ! A4 A(1,2,4) 119.7621 -DE/DX = 0.0 ! ! A5 A(1,2,7) 118.5414 -DE/DX = 0.0 ! ! A6 A(4,2,7) 120.1302 -DE/DX = 0.0 ! ! A7 A(1,5,6) 119.0008 -DE/DX = 0.0 ! ! A8 A(1,5,9) 120.6661 -DE/DX = 0.0 ! ! A9 A(1,5,15) 97.316 -DE/DX = 0.0 ! ! A10 A(6,5,9) 115.9493 -DE/DX = 0.0 ! ! A11 A(6,5,15) 99.4834 -DE/DX = 0.0 ! ! A12 A(9,5,15) 94.1922 -DE/DX = 0.0 ! ! A13 A(2,7,8) 119.0 -DE/DX = 0.0 ! ! A14 A(2,7,12) 120.6714 -DE/DX = 0.0 ! ! A15 A(2,7,17) 97.3153 -DE/DX = 0.0 ! ! A16 A(8,7,12) 115.9481 -DE/DX = 0.0 ! ! A17 A(8,7,17) 99.4786 -DE/DX = 0.0 ! ! A18 A(12,7,17) 94.1899 -DE/DX = 0.0 ! ! A19 A(5,9,10) 108.0563 -DE/DX = 0.0 ! ! A20 A(5,9,11) 110.1661 -DE/DX = 0.0 ! ! A21 A(5,9,12) 112.8259 -DE/DX = 0.0 ! ! A22 A(10,9,11) 105.3247 -DE/DX = 0.0 ! ! A23 A(10,9,12) 109.1834 -DE/DX = 0.0 ! ! A24 A(11,9,12) 110.9625 -DE/DX = 0.0 ! ! A25 A(9,11,16) 101.5815 -DE/DX = 0.0 ! ! A26 A(7,12,9) 112.8252 -DE/DX = 0.0 ! ! A27 A(7,12,13) 110.1637 -DE/DX = 0.0 ! ! A28 A(7,12,14) 108.0599 -DE/DX = 0.0 ! ! A29 A(9,12,13) 110.9626 -DE/DX = 0.0 ! ! A30 A(9,12,14) 109.1842 -DE/DX = 0.0 ! ! A31 A(13,12,14) 105.3234 -DE/DX = 0.0 ! ! A32 A(12,13,18) 101.602 -DE/DX = 0.0 ! ! A33 A(5,15,16) 88.5888 -DE/DX = 0.0 ! ! A34 A(5,15,17) 107.0487 -DE/DX = 0.0 ! ! A35 A(5,15,19) 102.2579 -DE/DX = 0.0 ! ! A36 A(16,15,17) 127.2469 -DE/DX = 0.0 ! ! A37 A(16,15,19) 116.4609 -DE/DX = 0.0 ! ! A38 A(17,15,19) 108.9523 -DE/DX = 0.0 ! ! A39 A(11,16,15) 104.0193 -DE/DX = 0.0 ! ! A40 A(7,17,15) 107.0523 -DE/DX = 0.0 ! ! A41 A(7,17,18) 88.5783 -DE/DX = 0.0 ! ! A42 A(7,17,20) 102.2669 -DE/DX = 0.0 ! ! A43 A(15,17,18) 127.2478 -DE/DX = 0.0 ! ! A44 A(15,17,20) 108.9495 -DE/DX = 0.0 ! ! A45 A(18,17,20) 116.4626 -DE/DX = 0.0 ! ! A46 A(13,18,17) 104.0078 -DE/DX = 0.0 ! ! A47 A(15,19,21) 105.8355 -DE/DX = 0.0 ! ! A48 A(17,20,21) 105.8398 -DE/DX = 0.0 ! ! A49 A(19,21,20) 107.2922 -DE/DX = 0.0 ! ! A50 A(19,21,22) 109.8917 -DE/DX = 0.0 ! ! A51 A(19,21,23) 109.56 -DE/DX = 0.0 ! ! A52 A(20,21,22) 109.8887 -DE/DX = 0.0 ! ! A53 A(20,21,23) 109.5628 -DE/DX = 0.0 ! ! A54 A(22,21,23) 110.5833 -DE/DX = 0.0 ! ! D1 D(3,1,2,4) 0.0014 -DE/DX = 0.0 ! ! D2 D(3,1,2,7) -165.7521 -DE/DX = 0.0 ! ! D3 D(5,1,2,4) 165.7607 -DE/DX = 0.0 ! ! D4 D(5,1,2,7) 0.0072 -DE/DX = 0.0 ! ! D5 D(2,1,5,6) -171.1598 -DE/DX = 0.0 ! ! D6 D(2,1,5,9) 33.2875 -DE/DX = 0.0 ! ! D7 D(2,1,5,15) -66.0246 -DE/DX = 0.0 ! ! D8 D(3,1,5,6) -5.4546 -DE/DX = 0.0 ! ! D9 D(3,1,5,9) -161.0073 -DE/DX = 0.0 ! ! D10 D(3,1,5,15) 99.6805 -DE/DX = 0.0 ! ! D11 D(1,2,7,8) 171.1537 -DE/DX = 0.0 ! ! D12 D(1,2,7,12) -33.2853 -DE/DX = 0.0 ! ! D13 D(1,2,7,17) 66.0249 -DE/DX = 0.0 ! ! D14 D(4,2,7,8) 5.4542 -DE/DX = 0.0 ! ! D15 D(4,2,7,12) 161.0152 -DE/DX = 0.0 ! ! D16 D(4,2,7,17) -99.6746 -DE/DX = 0.0 ! ! D17 D(1,5,9,10) 89.2518 -DE/DX = 0.0 ! ! D18 D(1,5,9,11) -156.1746 -DE/DX = 0.0 ! ! D19 D(1,5,9,12) -31.5582 -DE/DX = 0.0 ! ! D20 D(6,5,9,10) -67.0106 -DE/DX = 0.0 ! ! D21 D(6,5,9,11) 47.5629 -DE/DX = 0.0 ! ! D22 D(6,5,9,12) 172.1793 -DE/DX = 0.0 ! ! D23 D(15,5,9,10) -169.6842 -DE/DX = 0.0 ! ! D24 D(15,5,9,11) -55.1106 -DE/DX = 0.0 ! ! D25 D(15,5,9,12) 69.5058 -DE/DX = 0.0 ! ! D26 D(1,5,15,16) -174.185 -DE/DX = 0.0 ! ! D27 D(1,5,15,17) 57.0808 -DE/DX = 0.0 ! ! D28 D(1,5,15,19) -57.392 -DE/DX = 0.0 ! ! D29 D(6,5,15,16) -53.0524 -DE/DX = 0.0 ! ! D30 D(6,5,15,17) 178.2134 -DE/DX = 0.0 ! ! D31 D(6,5,15,19) 63.7406 -DE/DX = 0.0 ! ! D32 D(9,5,15,16) 64.146 -DE/DX = 0.0 ! ! D33 D(9,5,15,17) -64.5882 -DE/DX = 0.0 ! ! D34 D(9,5,15,19) -179.061 -DE/DX = 0.0 ! ! D35 D(2,7,12,9) 31.5214 -DE/DX = 0.0 ! ! D36 D(2,7,12,13) 156.1356 -DE/DX = 0.0 ! ! D37 D(2,7,12,14) -89.2917 -DE/DX = 0.0 ! ! D38 D(8,7,12,9) -172.2081 -DE/DX = 0.0 ! ! D39 D(8,7,12,13) -47.5939 -DE/DX = 0.0 ! ! D40 D(8,7,12,14) 66.9788 -DE/DX = 0.0 ! ! D41 D(17,7,12,9) -69.5414 -DE/DX = 0.0 ! ! D42 D(17,7,12,13) 55.0729 -DE/DX = 0.0 ! ! D43 D(17,7,12,14) 169.6456 -DE/DX = 0.0 ! ! D44 D(2,7,17,15) -57.1112 -DE/DX = 0.0 ! ! D45 D(2,7,17,18) 174.1568 -DE/DX = 0.0 ! ! D46 D(2,7,17,20) 57.3637 -DE/DX = 0.0 ! ! D47 D(8,7,17,15) -178.2416 -DE/DX = 0.0 ! ! D48 D(8,7,17,18) 53.0264 -DE/DX = 0.0 ! ! D49 D(8,7,17,20) -63.7667 -DE/DX = 0.0 ! ! D50 D(12,7,17,15) 64.5625 -DE/DX = 0.0 ! ! D51 D(12,7,17,18) -64.1694 -DE/DX = 0.0 ! ! D52 D(12,7,17,20) 179.0375 -DE/DX = 0.0 ! ! D53 D(5,9,11,16) 35.5338 -DE/DX = 0.0 ! ! D54 D(10,9,11,16) 151.8297 -DE/DX = 0.0 ! ! D55 D(12,9,11,16) -90.1463 -DE/DX = 0.0 ! ! D56 D(5,9,12,7) 0.0251 -DE/DX = 0.0 ! ! D57 D(5,9,12,13) -124.1514 -DE/DX = 0.0 ! ! D58 D(5,9,12,14) 120.1947 -DE/DX = 0.0 ! ! D59 D(10,9,12,7) -120.1399 -DE/DX = 0.0 ! ! D60 D(10,9,12,13) 115.6836 -DE/DX = 0.0 ! ! D61 D(10,9,12,14) 0.0297 -DE/DX = 0.0 ! ! D62 D(11,9,12,7) 124.2051 -DE/DX = 0.0 ! ! D63 D(11,9,12,13) 0.0287 -DE/DX = 0.0 ! ! D64 D(11,9,12,14) -115.6253 -DE/DX = 0.0 ! ! D65 D(9,11,16,15) 19.5328 -DE/DX = 0.0 ! ! D66 D(7,12,13,18) -35.4892 -DE/DX = 0.0 ! ! D67 D(9,12,13,18) 90.1883 -DE/DX = 0.0 ! ! D68 D(14,12,13,18) -151.7875 -DE/DX = 0.0 ! ! D69 D(12,13,18,17) -19.5987 -DE/DX = 0.0 ! ! D70 D(5,15,16,11) -37.0864 -DE/DX = 0.0 ! ! D71 D(17,15,16,11) 73.3818 -DE/DX = 0.0 ! ! D72 D(19,15,16,11) -140.0874 -DE/DX = 0.0 ! ! D73 D(5,15,17,7) 0.0168 -DE/DX = 0.0 ! ! D74 D(5,15,17,18) 101.5901 -DE/DX = 0.0 ! ! D75 D(5,15,17,20) -109.8773 -DE/DX = 0.0 ! ! D76 D(16,15,17,7) -101.5672 -DE/DX = 0.0 ! ! D77 D(16,15,17,18) 0.0061 -DE/DX = 0.0 ! ! D78 D(16,15,17,20) 148.5387 -DE/DX = 0.0 ! ! D79 D(19,15,17,7) 109.9001 -DE/DX = 0.0 ! ! D80 D(19,15,17,18) -148.5265 -DE/DX = 0.0 ! ! D81 D(19,15,17,20) 0.006 -DE/DX = 0.0 ! ! D82 D(5,15,19,21) 123.7876 -DE/DX = 0.0 ! ! D83 D(16,15,19,21) -141.6245 -DE/DX = 0.0 ! ! D84 D(17,15,19,21) 10.7192 -DE/DX = 0.0 ! ! D85 D(7,17,18,13) 37.1197 -DE/DX = 0.0 ! ! D86 D(15,17,18,13) -73.345 -DE/DX = 0.0 ! ! D87 D(20,17,18,13) 140.1255 -DE/DX = 0.0 ! ! D88 D(7,17,20,21) -123.805 -DE/DX = 0.0 ! ! D89 D(15,17,20,21) -10.7295 -DE/DX = 0.0 ! ! D90 D(18,17,20,21) 141.614 -DE/DX = 0.0 ! ! D91 D(15,19,21,20) -17.2698 -DE/DX = 0.0 ! ! D92 D(15,19,21,22) 102.1726 -DE/DX = 0.0 ! ! D93 D(15,19,21,23) -136.1369 -DE/DX = 0.0 ! ! D94 D(17,20,21,19) 17.2741 -DE/DX = 0.0 ! ! D95 D(17,20,21,22) -102.1702 -DE/DX = 0.0 ! ! D96 D(17,20,21,23) 136.1394 -DE/DX = 0.0 ! -------------------------------------------------------------------------------- GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -3.869637 0.634675 -0.050656 2 6 0 -3.869768 -0.776757 -0.050852 3 1 0 -3.426268 1.174144 0.782492 4 1 0 -3.426519 -1.316539 0.782157 5 6 0 -4.158895 1.295541 -1.230335 6 1 0 -4.020012 2.374487 -1.278779 7 6 0 -4.159001 -1.437247 -1.230753 8 1 0 -4.020212 -2.516194 -1.279493 9 6 0 -5.138977 0.708161 -2.224582 10 1 0 -6.143992 1.068996 -1.965852 11 1 0 -4.939395 1.101429 -3.230469 12 6 0 -5.138793 -0.849496 -2.225068 13 1 0 -4.938614 -1.242094 -3.231105 14 1 0 -6.143850 -1.210743 -1.967086 15 6 0 -2.300368 0.620814 -2.407508 16 1 0 -2.605608 1.275256 -3.212473 17 6 0 -2.300345 -0.762591 -2.407382 18 1 0 -2.605473 -1.417203 -3.212250 19 8 0 -1.258963 1.073285 -1.600754 20 8 0 -1.259017 -1.214804 -1.600441 21 6 0 -0.468690 -0.070777 -1.309976 22 1 0 0.438469 -0.070928 -1.940089 23 1 0 -0.200419 -0.070617 -0.249821 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.411432 0.000000 3 H 1.087078 2.167295 0.000000 4 H 2.167295 1.087078 2.490683 0.000000 5 C 1.382771 2.401915 2.145449 3.377789 0.000000 6 H 2.134911 3.385368 2.458087 4.268883 1.088926 7 C 2.401920 1.382776 3.377783 2.145439 2.732788 8 H 3.385364 2.134908 4.268858 2.458057 3.814574 9 C 2.518448 2.922495 3.491849 4.009040 1.514630 10 H 3.004880 3.499446 3.866584 4.541695 2.129065 11 H 3.387248 3.844691 4.289370 4.923061 2.155782 12 C 2.922600 2.518518 4.009149 3.491907 2.559468 13 H 3.844506 3.387179 4.922840 4.289318 3.324249 14 H 3.500045 3.005286 4.542369 3.866965 3.280900 15 C 2.831528 3.157538 3.427816 3.898143 2.301112 16 H 3.464852 3.975513 4.079639 4.832015 2.518329 17 C 3.157402 2.831346 3.897941 3.427577 3.012566 18 H 3.975423 3.464542 4.831847 4.079159 3.701363 19 O 3.067703 3.555440 3.222925 4.010963 2.931930 20 O 3.554960 3.067431 4.010289 3.222606 3.853324 21 C 3.694589 3.694744 3.830864 3.831148 3.935833 22 H 4.756849 4.756923 4.888644 4.888794 4.848375 23 H 3.741693 3.741971 3.608490 3.609019 4.300852 6 7 8 9 10 6 H 0.000000 7 C 3.814570 0.000000 8 H 4.890681 1.088928 0.000000 9 C 2.218844 2.559458 3.541369 0.000000 10 H 2.586052 3.280520 4.223164 1.098726 0.000000 11 H 2.505002 3.324568 4.211698 1.098318 1.746815 12 C 3.541356 1.514631 2.218833 1.557657 2.181337 13 H 4.211302 2.155757 2.505111 2.203799 2.897402 14 H 4.223545 2.129112 2.585890 2.181345 2.279739 15 C 2.703067 3.012455 3.751147 2.845838 3.894788 16 H 2.635910 3.701070 4.484708 2.777676 3.757229 17 C 3.751301 2.300917 2.702813 3.202243 4.280570 18 H 4.485102 2.517972 2.635302 3.451276 4.500646 19 O 3.069232 3.853556 4.540051 3.946769 4.898655 20 O 4.539776 2.931903 3.069336 4.375093 5.404836 21 C 4.311865 3.935977 4.312111 4.822326 5.825660 22 H 5.127908 4.848372 5.127919 5.638778 6.680485 23 H 4.650439 4.301195 4.651010 5.375456 6.290432 11 12 13 14 15 11 H 0.000000 12 C 2.203792 0.000000 13 H 2.343523 1.098324 0.000000 14 H 2.897065 1.098724 1.746803 0.000000 15 C 2.805837 3.201836 3.333029 4.280295 0.000000 16 H 2.340321 3.450589 3.432246 4.500037 1.081404 17 C 3.334161 2.845624 2.805157 3.894513 1.383405 18 H 3.433807 2.777504 2.339779 3.756750 2.212287 19 O 4.025213 4.374921 4.643151 5.404915 1.392877 20 O 4.644040 3.946678 4.024828 4.898575 2.259483 21 C 5.004954 4.822205 5.004292 5.825698 2.244531 22 H 5.653399 5.638549 5.652555 6.680332 2.863253 23 H 5.719777 5.375481 5.719345 6.290728 3.089252 16 17 18 19 20 16 H 0.000000 17 C 2.212279 0.000000 18 H 2.692459 1.081403 0.000000 19 O 2.109949 2.259550 3.257689 0.000000 20 O 3.257661 1.392844 2.109938 2.288089 0.000000 21 C 3.161917 2.244519 3.161859 1.420550 1.420487 22 H 3.563366 2.863191 3.563205 2.075005 2.074915 23 H 4.046432 3.089270 4.046426 2.062534 2.062515 21 22 23 21 C 0.000000 22 H 1.104527 0.000000 23 H 1.093571 1.806982 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 -0.813508 0.705507 1.466844 2 6 0 -0.813639 -0.705925 1.466648 3 1 0 -0.370139 1.244976 2.299992 4 1 0 -0.370390 -1.245707 2.299657 5 6 0 -1.102766 1.366373 0.287165 6 1 0 -0.963883 2.445319 0.238721 7 6 0 -1.102872 -1.366415 0.286747 8 1 0 -0.964083 -2.445362 0.238007 9 6 0 -2.082848 0.778993 -0.707082 10 1 0 -3.087863 1.139827 -0.448352 11 1 0 -1.883266 1.172261 -1.712969 12 6 0 -2.082664 -0.778664 -0.707568 13 1 0 -1.882485 -1.171262 -1.713605 14 1 0 -3.087721 -1.139912 -0.449586 15 6 0 0.755761 0.691646 -0.890008 16 1 0 0.450521 1.346088 -1.694973 17 6 0 0.755784 -0.691759 -0.889882 18 1 0 0.450656 -1.346371 -1.694750 19 8 0 1.797166 1.144117 -0.083254 20 8 0 1.797112 -1.143972 -0.082941 21 6 0 2.587439 0.000055 0.207524 22 1 0 3.494598 -0.000095 -0.422589 23 1 0 2.855710 0.000215 1.267679 --------------------------------------------------------------------- Rotational constants (GHZ): 1.9534334 0.9990846 0.9274552 1|1| IMPERIAL COLLEGE-CHWS-269|FTS|RB3LYP|6-31G(d)|C9H12O2|ST3515|25-J an-2018|0||# opt=(calcfc,ts,noeigen) b3lyp/6-31g(d) geom=connectivity gfprint integral=grid=ultrafine pop=full||Title Card Required||0,1|C,- 3.86963738,0.63467491,-0.05065633|C,-3.86976838,-0.77675709,-0.0508523 3|H,-3.42626838,1.17414391,0.78249167|H,-3.42651938,-1.31653909,0.7821 5667|C,-4.15889538,1.29554091,-1.23033533|H,-4.02001238,2.37448691,-1. 27877933|C,-4.15900138,-1.43724709,-1.23075333|H,-4.02021238,-2.516194 09,-1.27949333|C,-5.13897738,0.70816091,-2.22458233|H,-6.14399238,1.06 899591,-1.96585233|H,-4.93939538,1.10142891,-3.23046933|C,-5.13879338, -0.84949609,-2.22506833|H,-4.93861438,-1.24209409,-3.23110533|H,-6.143 85038,-1.21074309,-1.96708633|C,-2.30036838,0.62081391,-2.40750833|H,- 2.60560838,1.27525591,-3.21247333|C,-2.30034538,-0.76259109,-2.4073823 3|H,-2.60547338,-1.41720309,-3.21225033|O,-1.25896338,1.07328491,-1.60 075433|O,-1.25901738,-1.21480409,-1.60044133|C,-0.46869038,-0.07077709 ,-1.30997633|H,0.43846862,-0.07092809,-1.94008933|H,-0.20041938,-0.070 61709,-0.24982133||Version=EM64W-G09RevD.01|State=1-A|HF=-500.4905865| RMSD=4.055e-009|RMSF=4.832e-006|Dipole=-0.0502481,-0.0001411,-0.426481 4|Polar=0.,0.,0.,0.,0.,0.|Quadrupole=0.3300326,-1.7111586,1.381126,-0. 0005936,2.0997136,0.0006736|PG=C01 [X(C9H12O2)]||@ SATCHEL PAIGE'S GUIDE TO LONGEVITY 1. AVOID FRIED MEATS, WHICH ANGRY UP THE BLOOD. 2. IF YOUR STOMACH DISPUTES YOU, LIE DOWN AND PACIFY IT WITH COOL THOUGHTS. 3. KEEP THE JUICES FLOWING BY JANGLING AROUND GENTLY AS YOU MOVE. 4. GO VERY LIGHT ON THE VICES, SUCH AS CARRYING ON IN SOCIETY. THE SOCIAL RUMBLE AIN'T RESTFUL. 5. AVOID RUNNING AT ALL TIMES. 6. DON'T LOOK BACK. SOMETHING MAY BE GAINING ON YOU. Job cpu time: 0 days 0 hours 42 minutes 41.0 seconds. File lengths (MBytes): RWF= 102 Int= 0 D2E= 0 Chk= 4 Scr= 1 Normal termination of Gaussian 09 at Thu Jan 25 12:11:42 2018.