Gaussian 16 GINC-NODO01 FUNES coments ES64L-G16RevC.02 31-Oct-2024 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 41 41 (5D, 7F) def2SVP UwB97XD def2SVP FOpt #p scrf(smd,solvent=acetonitrile) opt freq wB97xD/def2SVP nosymm SCF=(XQC) 437.1177191999997 1 2 AuxInfo=1/0/N:5,17,6,16,3,12,4,14,2,11,20,24,21,22,23,25,26,27,7,13;34,38,28,30,32,31,33;1/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14,15,16,17,18)(19,20);(1,2)(4,5)(6,7);/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,19-1,20-1;3.3,4.3,5.3,6-1,7-1;/rA:41nCoC3C3C3C3C3NHHHC3C3NC3HC3C3HHCFFFCFFFC3HC3OC3OCHHHCHHH/rB:;s2;s3;s4;s5;s1s2s6;s3;s5;s6;s2;s11;s1s11;s12;s12;s13;s14s16;s16;s17;s4;s20;s20;s20;s14;s24;s24;s24;;s28;s28;s1s30;s28;s1s32;s30;s34;s34;s34;s32;s38;s38;s38;/rC:1.7787,-.0097,-.0069;-.8771,-.7371,-.0157;-2.0154,-1.5435,-.0138;-1.8578,-2.9215,-.0222;-.5665,-3.4602,-.0337;.5153,-2.5993,-.0335;.3788,-1.2575,-.0224;-3.0082,-1.0918,-.0057;-.3991,-4.5374,-.0443;1.5428,-2.9634,-.0422;-.8753,.7202,-.0098;-2.0152,1.5286,-.014;.3798,1.2375,.0015;-1.8558,2.9029,-.0009;-3.007,1.0774,-.0266;.5186,2.5815,.0134;-.5607,3.4411,.0138;1.5469,2.9431,.0237;-.3929,4.5192,.026;-3.0752,-3.807,.0199;-3.6247,-3.8263,1.2425;-2.792,-5.0707,-.303;-4.0252,-3.3822,-.8215;-3.0417,3.8295,-.0097;-4.2024,3.1734,.0513;-3.0081,4.6768,1.0268;-3.0678,4.5801,-1.1191;5.0171,-.0099,.0099;6.1076,-.01,.0162;4.3452,1.2246,.0291;3.0829,1.3503,.0223;4.3453,-1.2442,-.0166;3.0828,-1.3697,-.0242;5.1303,2.5083,.0607;6.2148,2.3411,.0607;4.8596,3.1225,-.8123;4.8538,3.0815,.9596;5.1308,-2.5278,-.0382;4.8621,-3.1039,-.9375;6.2153,-2.36,-.0297;4.8536,-3.1396,.8345;/R:/0/N:34,38,5,17,6,16,28,3,12,30,32,4,14,2,11,20,24,1,21,22,23,25,26,27,7,13,31,33/E:(1,2)(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)(16,17)(19,20,21,22,23,24)(25,26)(27,28)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,18.4 /usr/local/CompChem/Gaussian/g16/g16 Output=CoII_acac.log chk=CoII_acac.chk Mem=57428MB NProc=16 #p scrf(smd,solvent=acetonitrile) opt freq wB97xD/def2SVP nosymm SCF=( 1/18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,15=1,17=6,18=5,40=1/2 3/5=43,7=101,11=2,25=1,30=1,70=32201,71=1,72=2,74=-58/1,2,3 4//1 5/5=2,8=3,13=1,38=5,53=2/2,8 6/7=2,8=2,9=2,10=2,28=1/1 7/30=1/1,2,3,16 1/18=20,19=15,26=3/3(2) 2/9=110,15=1/2 99//99 2/9=110,15=1/2 3/5=43,7=101,11=2,25=1,30=1,70=32205,71=1,72=2,74=-58/1,2,3 4/5=5,16=3,69=1/1 5/5=2,8=3,13=1,38=5,53=2/2,8 7/30=1/1,2,3,16 1/18=20,19=15,26=3/3(-5) 2/9=110,15=1/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 coments 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 59 12 12 12 12 12 14 1 1 1 12 12 14 12 1 12 12 1 1 12 19 19 19 12 19 19 19 12 1 12 16 12 16 12 1 1 1 12 1 1 1 58.9331978 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 14.0030740 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 14.0030740 12.0000000 1.0078250 12.0000000 12.0000000 1.0078250 1.0078250 12.0000000 18.9984032 18.9984032 18.9984032 12.0000000 18.9984032 18.9984032 18.9984032 12.0000000 1.0078250 12.0000000 15.9949146 12.0000000 15.9949146 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 7 0 0 0 0 0 2 1 1 1 0 0 2 0 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 0 0 0 0 0 1 1 1 0 1 1 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /usr/local/CompChem/Gaussian/g16/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 1 1 1 1 2 2 2 3 3 4 4 5 5 6 6 11 11 12 12 13 14 14 16 16 17 20 20 20 24 24 24 28 28 28 30 30 32 32 34 34 34 38 38 38 7 13 31 33 3 7 11 4 8 5 20 6 9 7 10 12 13 14 15 16 17 24 17 18 19 21 22 23 25 26 27 29 30 32 31 34 33 38 35 36 37 39 40 41 1.8754 1.8741 1.8845 1.8843 1.395 1.3595 1.4574 1.387 1.0908 1.3992 1.506 1.3825 1.0901 1.3488 1.0902 1.3974 1.3576 1.3836 1.0897 1.3512 1.4025 1.505 1.3798 1.0901 1.0911 1.3405 1.3347 1.3383 1.3347 1.3391 1.3397 1.0905 1.4056 1.4056 1.2686 1.505 1.2687 1.5051 1.0974 1.1012 1.1013 1.1013 1.0974 1.1013 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 7 7 13 31 3 3 7 2 2 4 3 3 5 4 4 6 5 5 7 1 1 2 2 2 12 11 11 14 1 1 11 12 12 17 13 13 17 14 14 16 4 4 4 21 21 22 14 14 14 25 25 26 29 29 30 28 28 31 1 28 28 33 1 30 30 30 35 35 36 32 32 32 39 39 40 1 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 11 11 11 12 12 12 13 13 13 14 14 14 16 16 16 17 17 17 20 20 20 20 20 20 24 24 24 24 24 24 28 28 28 30 30 30 31 32 32 32 33 34 34 34 34 34 34 38 38 38 38 38 38 13 33 31 33 7 11 11 4 8 8 5 20 20 6 9 9 7 10 10 2 6 6 12 13 13 14 15 15 11 16 16 17 24 24 17 18 18 16 19 19 21 22 23 22 23 23 25 26 27 26 27 27 30 32 32 31 34 34 30 33 38 38 32 35 36 37 36 37 37 39 40 41 40 41 41 83.4361 92.0779 92.0773 92.4102 122.1785 125.3849 112.4367 118.7886 120.218 120.9934 119.1724 119.4816 121.324 118.8384 121.4785 119.6831 122.7068 121.9734 115.3198 115.7746 125.91 118.3147 125.2697 112.4704 122.2599 118.7256 120.1953 121.0791 115.8791 125.8249 118.2957 119.1836 121.3823 119.4331 122.6405 115.2742 122.0853 118.8943 121.4187 119.687 111.4278 112.2376 111.6916 107.0955 106.6773 107.4034 112.4792 111.4225 111.4136 107.3078 107.2391 106.6713 118.5559 118.5557 122.8884 124.2359 120.0017 115.7624 128.1138 124.236 119.9798 115.7842 128.1152 112.6793 109.3209 109.276 109.139 109.1106 107.1626 109.2974 112.6616 109.3289 109.1169 107.1597 109.1246 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A76 A77 A78 A79 7 13 7 13 1 1 1 1 31 33 31 33 33 31 33 31 -1 -1 -2 -2 184.4881 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 184.4875 180.3723 180.2012 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 13 13 33 33 7 7 31 31 13 33 7 31 7 7 11 11 3 3 11 11 3 3 7 7 2 2 8 8 3 3 20 20 3 3 3 5 5 5 4 4 9 9 5 5 10 10 2 2 13 13 2 2 12 12 11 11 15 15 1 1 11 11 12 12 24 24 12 12 12 17 17 17 13 13 18 18 29 29 32 32 29 29 30 30 28 34 28 28 28 31 31 31 28 38 28 28 28 33 33 33 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 4 4 4 4 4 4 4 4 4 4 5 5 5 5 6 6 6 6 11 11 11 11 11 11 11 11 12 12 12 12 13 13 13 13 14 14 14 14 14 14 14 14 14 14 16 16 16 16 28 28 28 28 28 28 28 28 30 30 30 30 30 30 30 30 32 32 32 32 32 32 32 32 7 7 7 7 13 13 13 13 31 31 33 33 3 3 3 3 7 7 7 7 11 11 11 11 4 4 4 4 5 5 5 5 20 20 20 20 20 20 6 6 6 6 7 7 7 7 12 12 12 12 13 13 13 13 14 14 14 14 16 16 16 16 17 17 17 17 24 24 24 24 24 24 17 17 17 17 30 30 30 30 32 32 32 32 31 31 34 34 34 34 34 34 33 33 38 38 38 38 38 38 2 6 2 6 11 16 11 16 30 30 32 32 4 8 4 8 1 6 1 6 12 13 12 13 5 20 5 20 6 9 6 9 21 22 23 21 22 23 7 10 7 10 1 2 1 2 14 15 14 15 1 16 1 16 17 24 17 24 17 18 17 18 16 19 16 19 25 26 27 25 26 27 14 19 14 19 31 34 31 34 33 38 33 38 1 1 35 36 37 35 36 37 1 1 39 40 41 39 40 41 -0.2302 -179.9226 -179.9984 0.3092 -0.1467 -179.9262 -179.7563 0.4642 -179.9784 -0.1797 -179.6429 -0.0152 -0.1487 179.8343 179.9068 -0.1102 -179.4232 0.2938 0.5279 -179.7552 -0.6402 179.3207 179.4106 -0.6285 -0.0734 178.2424 179.9437 -1.7405 0.1426 -179.7675 -178.1412 1.9488 -74.4265 165.4658 44.7759 103.852 -16.2557 -136.9456 0.0057 179.9977 179.9174 -0.0906 179.4642 -0.2212 -0.5283 179.7863 179.6941 -0.2519 -0.2631 179.7908 0.4609 -179.7421 -179.5769 0.2201 0.1163 179.773 -179.9381 -0.2815 179.7422 -0.3153 -0.0325 179.91 0.059 -179.905 -179.6045 0.4315 3.8148 124.3596 -116.6352 -176.5293 -55.9846 63.0206 -0.1053 179.8594 179.9561 -0.0793 179.9029 -0.1382 -0.1181 179.8408 179.8928 -0.1138 -0.0862 179.9072 0.2608 -179.6996 0.2972 121.8346 -121.1724 -179.7406 -58.2031 58.7898 0.1311 -179.8625 -121.4296 0.0513 121.5642 58.5644 -179.9548 -58.4419 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 0.10000e-02 0.10000e-05 F 41 1.00e+00 60 F IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX= 1.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=121 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. Berny optimization. local minimum Step number 30 out of a maximum of 233 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00086 0.00089 0.00193 0.00700 0.01159 0.01432 0.01567 0.01571 0.01786 0.01853 0.01982 0.02023 0.02092 0.02111 0.02164 0.02187 0.02222 0.02234 0.02283 0.02330 0.02373 0.02411 0.02433 0.02494 0.02545 0.02709 0.02842 0.03269 0.04014 0.04578 0.07036 0.07080 0.07586 0.07596 0.10902 0.11199 0.11764 0.11777 0.13499 0.14541 0.15195 0.15746 0.15943 0.15991 0.15995 0.16001 0.16005 0.16008 0.16024 0.16066 0.16125 0.16210 0.16361 0.17203 0.18214 0.19575 0.19968 0.22137 0.22360 0.22987 0.23342 0.23516 0.23623 0.23794 0.24546 0.24651 0.24834 0.24946 0.24983 0.25034 0.25175 0.25286 0.25538 0.26176 0.26986 0.28501 0.30526 0.31843 0.31911 0.32240 0.33531 0.33543 0.33545 0.33565 0.33976 0.33979 0.34696 0.34753 0.34758 0.34790 0.34803 0.34884 0.34928 0.36502 0.38109 0.41847 0.42865 0.42995 0.43615 0.44388 0.46870 0.47182 0.48024 0.48117 0.49117 0.49970 0.51209 0.53548 0.54765 0.57090 0.57483 0.58035 0.58527 0.59273 0.60045 0.70971 0.77295 -2.70558260e-09 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 3.69863 3.69918 3.56853 3.56838 2.62266 2.54933 2.79552 2.63497 2.06040 2.62315 2.85858 2.62974 2.05879 2.51705 2.06176 2.62779 2.54458 2.62804 2.05825 2.52181 2.63028 2.85989 2.62437 2.06163 2.06078 2.52427 2.51515 2.52415 2.51813 2.52091 2.52484 2.05909 2.65215 2.65201 2.40477 2.83543 2.40473 2.83544 2.07227 2.08098 2.07996 2.08000 2.07227 2.08096 1.43924 1.60557 1.60700 1.63293 2.11939 2.17354 1.99024 2.06453 2.11001 2.10862 2.09346 2.07060 2.11913 2.06427 2.12792 2.09098 2.12646 2.13008 2.02664 2.00050 2.18339 2.09823 2.17097 1.99177 2.12042 2.06445 2.10816 2.11056 2.00123 2.18293 2.09790 2.09250 2.10394 2.08642 2.12551 2.02576 2.13191 2.06554 2.12681 2.09082 1.93530 1.95927 1.93584 1.87908 1.87155 1.87924 1.95681 1.94231 1.93242 1.87947 1.87639 1.87284 2.06329 2.06330 2.15659 2.17323 2.09727 2.01268 2.21510 2.17293 2.09770 2.01255 2.21546 1.96360 1.90118 1.90693 1.90687 1.91118 1.87181 1.90676 1.96370 1.90128 1.91110 1.87174 1.90697 3.23850 3.23993 3.17890 3.17934 -0.01841 -3.11022 -3.11828 0.07309 -0.01860 -3.10895 -3.11892 0.07392 -3.09413 0.00972 -3.10002 0.00426 -0.00174 3.13344 -3.13806 -0.00288 -3.08813 0.00633 0.04870 -3.14002 -0.07609 3.07240 3.07043 -0.06427 -0.00493 3.13476 -3.14012 -0.00042 0.00696 -3.14076 -3.13268 0.00278 -1.03937 3.14123 1.03808 2.10029 -0.00229 -2.10544 -0.00246 3.13640 -3.13806 0.00080 3.08504 -0.00418 -0.05397 3.14000 -3.13482 0.00001 -0.00061 3.13422 0.04892 -3.14120 -3.08599 0.00707 -0.00734 3.10677 3.14103 -0.02805 3.08219 -0.05683 -0.00551 3.13866 0.00882 -3.13895 -3.10557 0.02985 0.24571 2.35201 -1.84978 -2.92328 -0.81697 1.26442 -0.00243 -3.13798 3.13643 0.00088 -3.13409 0.01098 0.00707 -3.13104 -3.13401 0.01094 0.00801 -3.13022 -0.01584 3.12242 -0.03786 2.07918 -2.16437 3.10690 -1.05924 0.98039 -0.01253 3.12585 -2.16275 -0.03637 2.08093 0.98191 3.10828 -1.05760 0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00002 -0.00000 -0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00001 0.00000 -0.00000 -0.00001 -0.00000 -0.00001 0.00001 0.00000 0.00001 -0.00001 0.00000 -0.00001 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00001 0.00000 0.00000 -0.00001 0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00001 0.00000 -0.00001 0.00000 0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00001 0.00001 -0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00001 -0.00000 -0.00001 0.00001 -0.00002 -0.00005 -0.00002 -0.00007 -0.00004 0.00006 -0.00002 0.00007 -0.00001 -0.00016 -0.00014 0.00022 0.00021 -0.00001 -0.00001 -0.00000 -0.00001 0.00004 0.00001 0.00003 0.00000 0.00001 0.00000 0.00002 0.00001 -0.00001 0.00001 -0.00000 0.00002 0.00002 0.00000 -0.00000 -0.00002 0.00011 0.00012 0.00012 0.00013 0.00014 0.00014 -0.00002 -0.00002 0.00000 0.00000 -0.00003 0.00000 -0.00003 0.00000 -0.00002 -0.00002 -0.00002 -0.00001 -0.00005 0.00002 -0.00006 0.00001 0.00001 0.00001 0.00000 -0.00000 0.00008 0.00007 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00001 0.00026 0.00026 0.00027 0.00025 0.00025 0.00026 -0.00000 -0.00001 0.00001 0.00000 0.00003 0.00004 0.00007 0.00007 0.00004 0.00002 0.00001 -0.00002 0.00003 0.00003 0.00012 0.00013 0.00013 0.00012 0.00014 0.00014 -0.00018 -0.00015 0.00014 0.00012 0.00013 0.00011 0.00010 0.00011 0.00004 0.00000 -0.00003 -0.00000 0.00001 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00001 0.00000 0.00001 -0.00001 0.00000 -0.00000 0.00001 0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00003 -0.00003 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00001 0.00000 -0.00001 0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00001 0.00000 -0.00000 -0.00000 0.00001 0.00002 0.00000 -0.00002 -0.00000 -0.00001 -0.00000 -0.00000 -0.00001 0.00000 -0.00000 0.00001 0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00001 -0.00001 -0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00001 0.00000 -0.00001 0.00001 -0.00000 -0.00000 -0.00001 -0.00000 -0.00004 0.00000 -0.00003 -0.00010 -0.00009 0.00006 0.00005 0.00001 0.00001 0.00003 0.00004 0.00001 0.00002 -0.00001 -0.00000 0.00001 -0.00001 0.00003 0.00001 -0.00003 -0.00001 -0.00003 -0.00001 0.00002 0.00000 -0.00000 -0.00001 0.00010 0.00008 0.00009 0.00012 0.00010 0.00011 0.00001 -0.00001 0.00002 -0.00000 -0.00002 -0.00003 0.00000 -0.00000 -0.00003 -0.00002 0.00000 0.00001 -0.00000 0.00003 -0.00003 0.00000 -0.00001 0.00002 -0.00001 0.00001 0.00003 0.00004 -0.00001 0.00001 0.00000 0.00002 -0.00002 -0.00001 -0.00014 -0.00015 -0.00015 -0.00011 -0.00013 -0.00012 0.00001 -0.00001 -0.00001 -0.00003 0.00001 -0.00005 0.00003 -0.00003 -0.00005 -0.00003 -0.00007 -0.00005 0.00007 0.00012 0.00009 0.00009 0.00009 0.00004 0.00004 0.00004 0.00001 -0.00001 0.00002 0.00002 0.00002 0.00004 0.00003 0.00004 0.00004 0.00002 -0.00003 -0.00002 0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00000 0.00001 0.00001 0.00001 -0.00001 0.00000 -0.00000 0.00000 0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00001 -0.00001 0.00001 -0.00000 -0.00001 0.00001 -0.00000 0.00001 -0.00001 0.00000 0.00002 -0.00003 -0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00002 0.00001 0.00001 -0.00002 0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00002 -0.00000 0.00000 -0.00001 0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00002 -0.00001 -0.00002 0.00000 0.00000 -0.00000 -0.00002 -0.00001 0.00001 0.00000 0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00001 0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00001 0.00001 -0.00001 -0.00000 -0.00001 -0.00000 0.00001 -0.00001 0.00000 0.00001 -0.00000 0.00000 0.00001 -0.00003 -0.00004 -0.00002 -0.00007 -0.00005 0.00005 -0.00005 0.00007 -0.00004 -0.00026 -0.00023 0.00028 0.00026 -0.00000 0.00000 0.00003 0.00003 0.00005 0.00003 0.00003 0.00000 0.00002 -0.00001 0.00005 0.00002 -0.00003 0.00000 -0.00003 0.00000 0.00003 0.00000 -0.00000 -0.00003 0.00021 0.00020 0.00021 0.00024 0.00023 0.00025 -0.00001 -0.00003 0.00002 -0.00000 -0.00005 -0.00003 -0.00003 -0.00000 -0.00005 -0.00004 -0.00001 0.00000 -0.00006 0.00005 -0.00009 0.00002 0.00001 0.00002 -0.00001 0.00001 0.00010 0.00011 -0.00001 -0.00000 -0.00000 0.00002 -0.00002 -0.00000 0.00012 0.00011 0.00012 0.00014 0.00013 0.00014 0.00000 -0.00001 -0.00000 -0.00002 0.00004 -0.00001 0.00009 0.00004 -0.00000 -0.00001 -0.00005 -0.00006 0.00010 0.00015 0.00021 0.00022 0.00022 0.00016 0.00018 0.00018 -0.00017 -0.00016 0.00016 0.00014 0.00015 0.00015 0.00013 0.00015 3.69866 3.69920 3.56850 3.56837 2.62266 2.54932 2.79552 2.63496 2.06040 2.62315 2.85858 2.62974 2.05879 2.51704 2.06176 2.62779 2.54458 2.62803 2.05825 2.52181 2.63028 2.85989 2.62437 2.06163 2.06078 2.52428 2.51515 2.52415 2.51813 2.52092 2.52483 2.05909 2.65215 2.65202 2.40477 2.83542 2.40473 2.83544 2.07227 2.08097 2.07996 2.08000 2.07227 2.08096 1.43924 1.60556 1.60700 1.63294 2.11939 2.17353 1.99026 2.06453 2.11002 2.10862 2.09346 2.07062 2.11910 2.06426 2.12793 2.09098 2.12646 2.13008 2.02664 2.00048 2.18340 2.09824 2.17096 1.99178 2.12043 2.06445 2.10816 2.11055 2.00121 2.18295 2.09790 2.09251 2.10393 2.08643 2.12551 2.02576 2.13191 2.06554 2.12681 2.09083 1.93532 1.95926 1.93582 1.87909 1.87155 1.87924 1.95680 1.94230 1.93243 1.87948 1.87639 1.87285 2.06330 2.06329 2.15660 2.17322 2.09728 2.01268 2.21510 2.17293 2.09770 2.01255 2.21546 1.96360 1.90119 1.90692 1.90688 1.91117 1.87181 1.90676 1.96370 1.90129 1.91110 1.87174 1.90697 3.23850 3.23993 3.17892 3.17931 -0.01845 -3.11024 -3.11835 0.07304 -0.01855 -3.10900 -3.11886 0.07388 -3.09439 0.00949 -3.09974 0.00452 -0.00174 3.13344 -3.13803 -0.00285 -3.08808 0.00636 0.04873 -3.14002 -0.07607 3.07239 3.07048 -0.06425 -0.00497 3.13476 -3.14015 -0.00042 0.00699 -3.14076 -3.13268 0.00275 -1.03916 3.14143 1.03829 2.10054 -0.00206 -2.10519 -0.00246 3.13636 -3.13803 0.00079 3.08498 -0.00421 -0.05400 3.13999 -3.13487 -0.00002 -0.00062 3.13422 0.04887 -3.14115 -3.08608 0.00709 -0.00733 3.10679 3.14102 -0.02804 3.08229 -0.05671 -0.00552 3.13865 0.00881 -3.13894 -3.10559 0.02985 0.24583 2.35212 -1.84965 -2.92314 -0.81685 1.26457 -0.00243 -3.13799 3.13642 0.00086 -3.13404 0.01097 0.00717 -3.13100 -3.13402 0.01093 0.00796 -3.13028 -0.01575 3.12257 -0.03765 2.07940 -2.16415 3.10706 -1.05907 0.98057 -0.01270 3.12568 -2.16260 -0.03623 2.08108 0.98205 3.10842 -1.05745 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000010 0.000002 0.001037 0.000186 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -3.212392e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 1 1 1 1 2 2 2 3 3 4 4 5 5 6 6 11 11 12 12 13 14 14 16 16 17 20 20 20 24 24 24 28 28 28 30 30 32 32 34 34 34 38 38 38 7 13 31 33 3 7 11 4 8 5 20 6 9 7 10 12 13 14 15 16 17 24 17 18 19 21 22 23 25 26 27 29 30 32 31 34 33 38 35 36 37 39 40 41 1.9572 1.9575 1.8884 1.8883 1.3879 1.349 1.4793 1.3944 1.0903 1.3881 1.5127 1.3916 1.0895 1.332 1.091 1.3906 1.3465 1.3907 1.0892 1.3345 1.3919 1.5134 1.3888 1.091 1.0905 1.3358 1.331 1.3357 1.3325 1.334 1.3361 1.0896 1.4035 1.4034 1.2725 1.5004 1.2725 1.5004 1.0966 1.1012 1.1007 1.1007 1.0966 1.1012 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 7 7 13 31 3 3 7 2 2 4 3 3 5 4 4 6 5 5 7 1 1 2 2 2 12 11 11 14 1 1 11 12 12 17 13 13 17 14 14 16 4 4 4 21 21 22 14 14 14 25 25 26 29 29 30 28 28 31 1 28 28 33 1 30 30 30 35 35 36 32 32 32 39 39 40 1 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 11 11 11 12 12 12 13 13 13 14 14 14 16 16 16 17 17 17 20 20 20 20 20 20 24 24 24 24 24 24 28 28 28 30 30 30 31 32 32 32 33 34 34 34 34 34 34 38 38 38 38 38 38 13 33 31 33 7 11 11 4 8 8 5 20 20 6 9 9 7 10 10 2 6 6 12 13 13 14 15 15 11 16 16 17 24 24 17 18 18 16 19 19 21 22 23 22 23 23 25 26 27 26 27 27 30 32 32 31 34 34 30 33 38 38 32 35 36 37 36 37 37 39 40 41 40 41 41 82.4623 91.9926 92.0744 93.5599 121.432 124.5348 114.0326 118.289 120.8947 120.8153 119.9464 118.6365 121.4171 118.2738 121.921 119.8043 121.8371 122.0445 116.1182 114.62 125.099 120.2199 124.3875 114.1199 121.4914 118.2842 120.7886 120.926 114.6618 125.0727 120.2007 119.8916 120.547 119.5428 121.7826 116.0677 122.1495 118.3467 121.8571 119.7953 110.8848 112.2578 110.9153 107.6636 107.2319 107.6725 112.1172 111.2861 110.7198 107.6859 107.5093 107.3059 118.2181 118.2182 123.5638 124.5168 120.1649 115.318 126.9159 124.4999 120.1893 115.3106 126.9367 112.506 108.9298 109.2588 109.2555 109.5023 107.247 109.2494 112.512 108.9356 109.4983 107.2427 109.2612 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A76 A77 A78 7 13 7 1 1 1 31 33 31 33 31 33 -1 -1 -2 185.5525 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 185.6344 182.1377 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 13 13 33 33 7 7 31 31 13 33 7 31 7 7 11 11 3 3 11 11 3 3 7 7 2 2 8 8 3 3 20 20 3 3 3 5 5 5 4 4 9 9 5 5 10 10 2 2 13 13 2 2 12 12 11 11 15 15 1 1 11 11 12 12 24 24 12 12 12 17 17 17 13 13 18 18 29 29 32 32 29 29 30 30 28 34 28 28 28 31 31 31 28 38 28 28 28 33 33 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 4 4 4 4 4 4 4 4 4 4 5 5 5 5 6 6 6 6 11 11 11 11 11 11 11 11 12 12 12 12 13 13 13 13 14 14 14 14 14 14 14 14 14 14 16 16 16 16 28 28 28 28 28 28 28 28 30 30 30 30 30 30 30 30 32 32 32 32 32 32 32 7 7 7 7 13 13 13 13 31 31 33 33 3 3 3 3 7 7 7 7 11 11 11 11 4 4 4 4 5 5 5 5 20 20 20 20 20 20 6 6 6 6 7 7 7 7 12 12 12 12 13 13 13 13 14 14 14 14 16 16 16 16 17 17 17 17 24 24 24 24 24 24 17 17 17 17 30 30 30 30 32 32 32 32 31 31 34 34 34 34 34 34 33 33 38 38 38 38 38 2 6 2 6 11 16 11 16 30 30 32 32 4 8 4 8 1 6 1 6 12 13 12 13 5 20 5 20 6 9 6 9 21 22 23 21 22 23 7 10 7 10 1 2 1 2 14 15 14 15 1 16 1 16 17 24 17 24 17 18 17 18 16 19 16 19 25 26 27 25 26 27 14 19 14 19 31 34 31 34 33 38 33 38 1 1 35 36 37 35 36 37 1 1 39 40 41 39 40 -1.0547 -178.2025 -178.6644 4.1878 -1.0657 -178.1294 -178.7011 4.2352 -177.2805 0.5568 -177.6183 0.2439 -0.0996 179.5328 -179.7973 -0.1649 -176.9369 0.3627 2.7904 -179.91 -4.3598 176.0353 175.9226 -3.6823 -0.2827 179.6084 -179.9154 -0.0243 0.3985 -179.9525 -179.4895 0.1595 -59.5515 179.9795 59.4777 120.3379 -0.1311 -120.6329 -0.1407 179.7022 -179.7973 0.0456 176.7595 -0.2397 -3.0922 179.9086 -179.6118 0.0006 -0.0348 179.5777 2.8031 -179.9773 -176.8145 0.4051 -0.4205 178.0047 179.9676 -1.6072 176.5965 -3.2559 -0.3158 179.8318 0.5051 -179.8488 -177.9359 1.7102 14.078 134.7602 -105.9845 -167.4914 -46.8092 72.4461 -0.1392 -179.7928 179.7042 0.0506 -179.5699 0.6293 0.4053 -179.3955 -179.5656 0.6271 0.4592 -179.3481 -0.9078 178.9017 -2.169 119.1283 -124.0093 178.0125 -60.6902 56.1722 -0.7179 179.0979 -123.9165 -2.0841 119.2282 56.2591 178.0916 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 Grimme-D2 -0.0301362230 PCM SMD-Coulomb. Total charges None On-the-fly selection Acetonitrile 35.688000 1.806874 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 437.1177191999997 AuxInfo=1/0/N:5,17,6,16,3,12,4,14,2,11,20,24,21,22,23,25,26,27,7,13;34,38,28,30,32,31,33;1/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14,15,16,17,18)(19,20);(1,2)(4,5)(6,7);/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,19-1,20-1;3.3,4.3,5.3,6-1,7-1;/rA:41nCoC3C3C3C3C3NHHHC3C3NC3HC3C3HHCFFFCFFFC3HC3OC3OCHHHCHHH/rB:;s2;s3;s4;s5;s1s2s6;s3;s5;s6;s2;s11;s1s11;s12;s12;s13;s14s16;s16;s17;s4;s20;s20;s20;s14;s24;s24;s24;;s28;s28;s1s30;s28;s1s32;s30;s34;s34;s34;s32;s38;s38;s38;/rC:1.7787,-.0096,-.0069;-.8771,-.7371,-.0157;-2.0154,-1.5436,-.0138;-1.8578,-2.9215,-.0222;-.5665,-3.4602,-.0337;.5153,-2.5993,-.0335;.3788,-1.2575,-.0224;-3.0082,-1.0918,-.0057;-.3991,-4.5374,-.0443;1.5428,-2.9634,-.0422;-.8753,.7202,-.0098;-2.0152,1.5286,-.014;.3798,1.2375,.0015;-1.8558,2.9029,-.0009;-3.007,1.0774,-.0266;.5186,2.5815,.0134;-.5607,3.4411,.0138;1.5469,2.9431,.0237;-.3929,4.5192,.0259;-3.0752,-3.807,.0199;-3.6247,-3.8263,1.2425;-2.792,-5.0707,-.303;-4.0252,-3.3822,-.8215;-3.0417,3.8295,-.0097;-4.2024,3.1734,.0513;-3.0081,4.6768,1.0268;-3.0678,4.5801,-1.1191;5.0171,-.0099,.0099;6.1076,-.01,.0162;4.3452,1.2246,.0291;3.0829,1.3503,.0223;4.3452,-1.2442,-.0166;3.0828,-1.3697,-.0242;5.1303,2.5083,.0607;6.2148,2.3411,.0607;4.8596,3.1225,-.8123;4.8538,3.0815,.9596;5.1308,-2.5278,-.0382;4.8621,-3.1039,-.9375;6.2153,-2.36,-.0297;4.8536,-3.1396,.8345;/R:/0/N:34,38,5,17,6,16,28,3,12,30,32,4,14,2,11,20,24,1,21,22,23,25,26,27,7,13,31,33/E:(1,2)(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)(16,17)(19,20,21,22,23,24)(25,26)(27,28)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,18.4 0.000000 2.753638 0.000000 4.092427 1.394994 0.000000 4.658652 2.394404 1.386956 0.000000 4.172169 2.740803 2.402802 1.399242 0.000000 2.881557 2.325233 2.742136 2.394851 1.382501 0.000000 1.875395 1.359472 2.411248 2.787678 2.396988 1.348757 0.000000 4.907664 2.160417 1.090765 2.161357 3.401797 3.832507 3.391091 0.000000 5.024411 3.830283 3.402393 2.176983 1.090125 2.142969 3.370918 4.322114 0.000000 2.963383 3.288314 3.831156 3.400929 2.167027 1.090188 2.065271 4.920970 2.499715 0.000000 2.752523 1.457408 2.534682 3.771967 4.191939 3.599140 2.341918 2.798703 5.279263 4.406558 0.000000 4.093836 2.535488 3.072123 4.452860 5.194930 4.841802 3.673367 2.802234 6.277606 5.730453 1.397395 0.000000 1.874129 2.340826 3.670375 4.722806 4.792247 3.839404 2.495178 4.111489 5.827390 4.359180 1.357575 2.412650 0.000000 4.657553 3.769376 4.449344 5.824449 6.492547 5.991481 4.722654 4.157605 7.581682 6.779856 2.392816 1.383607 2.787767 0.000000 4.907597 2.798022 2.802242 4.160710 5.152268 5.091587 4.112823 2.169264 6.190841 6.085129 2.161447 1.089692 3.390688 2.158337 0.000000 2.881364 3.600286 4.841243 5.994260 6.138555 5.181024 3.841730 5.092288 7.178009 5.638982 2.325427 2.743940 1.351153 2.396109 3.833204 0.000000 4.169093 4.190350 5.192675 6.493591 6.901537 6.135739 4.791831 5.151490 7.980372 6.741404 2.739114 2.402915 2.395981 1.402548 3.401921 1.379838 0.000000 2.962022 4.406998 5.729001 6.781420 6.743333 5.637935 4.360284 6.085233 7.729791 5.906917 3.287739 3.832820 2.066784 3.403033 4.921495 1.090088 2.165685 0.000000 5.022714 5.278780 6.276232 7.583687 7.981559 7.176493 5.828278 6.190640 9.056877 7.729273 3.829637 3.402523 3.371533 2.180188 4.322302 2.141454 1.091128 2.499385 0.000000 6.162843 3.775821 2.499496 1.505968 2.533140 3.788493 4.293210 2.716140 2.774681 4.694838 5.033519 5.439953 6.114292 6.819833 4.885053 7.329926 7.671888 8.180931 8.747588 0.000000 6.732331 4.321478 3.062534 2.353718 3.333998 4.502545 4.922057 3.068451 3.544831 5.394277 5.458784 5.730964 6.574066 7.068026 5.102732 7.728970 7.982046 8.605564 9.031707 1.340526 0.000000 6.825916 4.746477 3.623189 2.360228 2.760274 4.137434 4.967194 3.995839 2.465189 4.826946 6.106946 6.651117 7.067310 8.034062 6.158022 8.343615 8.805123 9.118882 9.890914 1.334684 2.151815 0.000000 6.761820 4.189956 2.841124 2.355570 3.548149 4.674337 4.954558 2.635439 3.884172 5.637851 5.235487 5.367248 6.436050 6.699362 4.642828 7.543713 7.697866 8.471788 8.737441 1.338267 2.148871 2.154254 0.000000 6.162433 5.053705 5.470190 6.854031 7.698548 7.347287 6.130110 4.921408 8.774350 8.195302 3.789579 2.519545 4.292493 1.504996 2.752401 3.772790 2.511316 4.673563 2.737368 7.636615 7.779376 8.908521 7.323516 0.000000 6.775622 5.133687 5.199708 6.530734 7.565218 7.455756 6.373891 4.429603 8.598279 8.406979 4.134194 2.737495 4.974650 2.362722 2.414242 4.758130 3.651715 5.753992 4.040324 7.070891 7.123779 8.371371 6.615759 1.334690 0.000000 6.778265 5.910916 6.384447 7.756141 8.561409 8.153561 6.912929 5.860267 9.636149 8.956942 4.612775 3.461294 4.935372 2.351706 3.750401 4.225512 2.922790 4.975930 2.804586 8.543598 8.528146 9.840155 8.330494 1.339138 2.153641 0.000000 6.766890 5.855721 6.310942 7.677309 8.490069 8.096956 6.867274 5.780447 9.560601 8.906282 4.575576 3.411868 4.930954 2.352025 3.669650 4.258956 2.977518 5.027960 2.910228 8.464074 8.749529 9.689162 8.025114 1.339690 2.153136 2.148815 0.000000 3.238481 5.938976 7.197850 7.466121 6.563791 5.193635 4.803292 8.097923 7.059541 4.560360 5.937515 7.198646 4.802159 7.464719 8.097502 5.191543 6.559133 4.556653 7.055617 8.938887 9.527095 9.310871 9.686416 8.926733 9.753736 9.348998 9.365245 0.000000 4.328941 7.022486 8.266511 8.480873 7.513281 6.162868 5.863145 9.179742 7.927050 5.437189 7.020989 8.267217 5.862052 8.479449 9.179268 6.160567 7.508446 5.433314 7.922776 9.936811 10.525450 10.242804 10.711941 9.922310 10.790342 10.299674 10.322034 1.090460 0.000000 2.848117 5.578806 6.936999 7.461241 6.787958 5.412481 4.679324 7.709699 7.464241 5.039654 5.244963 6.367786 3.965518 6.424220 7.353872 4.060114 5.383468 3.283907 5.771006 8.965465 9.513343 9.522666 9.592143 7.832886 8.767024 8.184421 8.217646 1.405632 2.151813 0.000000 1.884472 4.476634 5.862424 6.531493 6.038388 4.711194 3.756964 6.562436 6.840598 4.580851 4.008123 5.101275 2.705481 5.177049 6.096146 2.844545 4.200899 2.212764 4.703525 8.032400 8.560227 8.709154 8.580940 6.607435 7.510004 7.012462 7.040207 2.364666 3.316519 1.268613 0.000000 2.848061 5.246894 6.367670 6.425788 5.388487 4.062663 3.966448 7.355005 5.775352 3.287823 5.577917 6.938526 4.678034 7.460047 7.710047 5.411128 6.783974 5.036509 7.461193 7.850591 8.471855 8.103339 8.676542 8.961595 9.621996 9.498382 9.491614 1.405617 2.151797 2.469266 2.885612 0.000000 1.884323 4.010093 5.101155 5.178550 4.205653 2.846797 2.706296 6.097331 4.707281 2.216256 4.475984 5.864223 3.755565 6.530360 6.563016 4.710449 6.034968 4.578394 6.838300 6.622918 7.254647 6.948984 7.430262 8.033775 8.586025 8.646611 8.627155 2.364722 3.316580 2.885649 2.720400 1.268691 0.000000 4.192564 6.828397 8.214821 8.849982 8.251351 6.884382 6.063377 8.899396 8.956935 6.543685 6.266477 7.212662 4.917829 6.997500 8.262546 4.612508 5.767149 3.609863 5.877989 10.354407 10.870733 10.969756 10.922339 8.278419 9.356376 8.477567 8.537671 2.521215 2.701634 1.505025 2.352485 3.834527 4.386116 0.000000 5.020924 7.731523 9.101217 9.636826 8.924679 7.543296 6.856806 9.841373 9.542989 7.069356 7.273349 8.270317 5.938724 8.090403 9.308370 5.701495 6.864433 4.706739 6.957563 11.140221 11.672581 11.670026 11.763968 9.375714 10.450447 9.563021 9.621385 2.638952 2.353947 2.177814 3.285140 4.044228 4.856605 1.097356 0.000000 4.466689 6.959991 8.347185 9.070715 8.566275 7.226297 6.315564 8.961775 9.322996 6.973720 6.269311 7.102157 4.927901 6.767869 8.165985 4.451880 5.492216 3.421317 5.499358 10.567486 11.157590 11.222096 11.011367 7.973439 9.103268 8.227984 8.066111 3.242325 3.472222 2.138819 2.644657 4.468347 4.894693 1.101237 1.791458 0.000000 4.466008 6.955291 8.338106 9.057848 8.553337 7.216665 6.310041 8.953129 9.308478 6.964658 6.271956 7.109291 4.932994 6.780381 8.171942 4.465358 5.508295 3.439594 5.519703 10.545259 10.939929 11.247662 11.125942 7.989915 9.102145 8.022452 8.325734 3.238031 3.466825 2.138298 2.647910 4.463522 4.890495 1.101308 1.791199 1.772388 0.000000 4.192731 6.269148 7.213733 6.999720 5.773100 4.616123 4.918895 8.264790 5.883790 3.614359 6.828196 8.217063 6.062302 8.849162 8.900633 6.883346 8.247737 6.540624 8.954146 8.305328 8.943469 8.325132 9.229088 10.354088 10.937174 10.921690 10.904477 2.520955 2.701179 3.834371 4.386079 1.505060 2.352859 5.037064 4.989083 5.709544 5.704032 0.000000 4.466298 6.276092 7.112481 6.784358 5.514769 4.468386 4.934170 8.176660 5.525645 3.440739 6.957179 8.343214 6.310355 9.060331 8.957384 7.217617 8.552763 6.962848 9.308901 8.025640 8.792002 7.928157 8.892359 10.554782 11.070132 11.240021 11.043531 3.239547 3.468882 4.465154 4.891533 2.138590 2.647157 5.706594 5.698637 6.227690 6.469748 1.101292 0.000000 5.020751 7.275681 8.271077 8.092567 6.870410 5.705028 5.939672 9.310264 6.963593 4.711268 7.730747 9.102819 6.855341 9.635445 9.842013 7.541381 8.920176 7.065404 9.539135 9.402601 10.029635 9.410297 10.321755 11.135643 11.796344 11.649196 11.641581 2.638214 2.352918 4.043512 4.856037 2.177646 3.285303 4.988544 4.701955 5.701591 5.695742 1.097379 1.791275 0.000000 4.467582 6.271759 7.102781 6.769310 5.498481 4.457133 4.929479 8.167387 5.506080 3.429364 6.959227 8.348116 6.314058 9.067833 8.961696 7.224747 8.561210 6.970730 9.318625 7.998369 8.515798 7.967285 9.035105 10.564871 11.066988 11.087786 11.231976 3.240664 3.469389 4.466933 4.894307 2.138978 2.646819 5.707353 5.699974 6.475033 6.222294 1.101272 1.772370 1.791344 0.000000 0.1422369 0.1253814 0.0682797 -24.86744 -24.86625 -24.86408 -24.86286 -24.86242 -24.86193 -19.27583 -19.27581 -14.52519 -14.52513 -10.56831 -10.56826 -10.39698 -10.39642 -10.39239 -10.39231 -10.37813 -10.37727 -10.37178 -10.37168 -10.35510 -10.35496 -10.34867 -10.34831 -10.29669 -10.29669 -10.28452 -3.87415 -2.59178 -2.53076 -2.52541 -1.42564 -1.42549 -1.33069 -1.33031 -1.32621 -1.32612 -1.15347 -1.13575 -1.11868 -1.08544 -0.96919 -0.96120 -0.93868 -0.88003 -0.87994 -0.84519 -0.83951 -0.83375 -0.80149 -0.79599 -0.77368 -0.75577 -0.75163 -0.71539 -0.70733 -0.70384 -0.70378 -0.70236 -0.67730 -0.66631 -0.65652 -0.64242 -0.61482 -0.61175 -0.60911 -0.59890 -0.59687 -0.58034 -0.57910 -0.57807 -0.57738 -0.57419 -0.57277 -0.56222 -0.55799 -0.54845 -0.54342 -0.53794 -0.53302 -0.53171 -0.52840 -0.52115 -0.51907 -0.51767 -0.51529 -0.51524 -0.50830 -0.49822 -0.49180 -0.48861 -0.48310 -0.47011 -0.46874 -0.46791 -0.45422 -0.45417 -0.44112 -0.42417 -0.42050 -0.41720 -0.39712 -0.37653 -0.37059 -0.35514 -0.34453 -0.34243 -0.31904 -0.05252 -0.00599 -0.00288 0.01856 0.02187 0.05726 0.09077 0.14121 0.15050 0.15552 0.15768 0.15791 0.17837 0.18405 0.19019 0.20043 0.20310 0.20522 0.22291 0.22335 0.23440 0.23474 0.23541 0.23742 0.24369 0.25317 0.26095 0.26736 0.27784 0.28014 0.28336 0.28419 0.28720 0.30617 0.30682 0.31205 0.31602 0.32312 0.33854 0.34685 0.34809 0.35428 0.37816 0.38265 0.38996 0.39964 0.41390 0.42180 0.42973 0.44194 0.45398 0.45764 0.46197 0.46554 0.47875 0.48766 0.48907 0.49822 0.50851 0.50881 0.51031 0.51174 0.51445 0.52516 0.53675 0.53921 0.54311 0.54433 0.54598 0.54947 0.56887 0.57295 0.57889 0.59605 0.60482 0.62778 0.63106 0.64433 0.65325 0.65935 0.66183 0.66478 0.67001 0.67331 0.68644 0.69078 0.69480 0.69999 0.70382 0.70692 0.71383 0.71573 0.72111 0.72431 0.72755 0.73401 0.74026 0.74244 0.74782 0.75532 0.75820 0.75913 0.77794 0.78606 0.78650 0.79658 0.79835 0.79847 0.80330 0.81284 0.82019 0.83315 0.84088 0.85067 0.87726 0.88800 0.89430 0.90115 0.90447 0.93682 0.93821 0.94824 0.96461 0.97088 1.01362 1.04060 1.08221 1.09023 1.09953 1.11200 1.12721 1.14607 1.15573 1.15877 1.16049 1.16828 1.17178 1.17347 1.17424 1.19579 1.19897 1.20510 1.20883 1.22363 1.24485 1.24860 1.25783 1.26087 1.26924 1.27177 1.27692 1.28816 1.29308 1.29917 1.30491 1.31289 1.33407 1.36055 1.37263 1.38270 1.39324 1.39669 1.40299 1.40796 1.41010 1.43081 1.43518 1.43546 1.44364 1.45416 1.46672 1.48112 1.50097 1.51194 1.51262 1.51571 1.52958 1.53331 1.54620 1.55764 1.56169 1.56416 1.57677 1.61437 1.61863 1.64571 1.64746 1.66276 1.66367 1.67732 1.68211 1.68302 1.68990 1.69391 1.71697 1.72673 1.73225 1.73842 1.74633 1.75827 1.76250 1.78700 1.79010 1.79252 1.80574 1.81963 1.83027 1.83451 1.83791 1.84095 1.84525 1.85529 1.86426 1.87834 1.88014 1.88027 1.88416 1.89168 1.90027 1.90458 1.91432 1.93915 1.94696 1.95412 1.95576 1.96406 1.97392 1.97463 1.99051 1.99423 2.00286 2.01268 2.01586 2.03087 2.03885 2.04801 2.05860 2.07041 2.08325 2.09392 2.09769 2.11074 2.12301 2.12710 2.13865 2.15508 2.15895 2.16351 2.16564 2.17839 2.17978 2.20236 2.23230 2.24412 2.25862 2.28037 2.30078 2.31632 2.32225 2.33648 2.34071 2.34973 2.35765 2.36386 2.37064 2.42408 2.43103 2.43226 2.44692 2.45594 2.46165 2.47675 2.49076 2.50354 2.52097 2.52983 2.55689 2.57353 2.58207 2.60485 2.63217 2.64258 2.65496 2.67516 2.67663 2.70866 2.73216 2.74421 2.77186 2.77713 2.78843 2.79110 2.82084 2.82229 2.82429 2.83408 2.85951 2.87437 2.90090 2.90358 2.92128 2.96872 2.98132 2.98556 2.98587 2.99156 3.02479 3.04795 3.05709 3.07357 3.07748 3.10484 3.10849 3.10898 3.11322 3.11581 3.11852 3.12283 3.12349 3.12861 3.13271 3.13513 3.14345 3.14750 3.15274 3.15481 3.16668 3.18641 3.19255 3.21210 3.24555 3.24857 3.26622 3.30812 3.33411 3.47947 3.49184 3.50512 3.51335 3.51518 3.58557 3.60755 3.61010 3.66326 3.67015 3.69182 3.71329 3.74139 3.74929 3.76572 3.91649 3.91836 3.95517 3.95942 4.89311 4.91972 4.92134 4.96071 4.96191 5.01704 5.04346 -277.77623 -33.00990 -28.66201 -28.64713 -28.62838 -24.86743 -24.86625 -24.86407 -24.86285 -24.86240 -24.86191 -19.27574 -19.27572 -14.52575 -14.52570 -10.56833 -10.56828 -10.39683 -10.39628 -10.39250 -10.39242 -10.37793 -10.37707 -10.37159 -10.37149 -10.35519 -10.35505 -10.34879 -10.34843 -10.29671 -10.29670 -10.28436 -3.82466 -2.52034 -2.50700 -2.45928 -1.42562 -1.42547 -1.33068 -1.33030 -1.32618 -1.32609 -1.15326 -1.13556 -1.11902 -1.08590 -0.96905 -0.96112 -0.93845 -0.87997 -0.87984 -0.84517 -0.83965 -0.83382 -0.80157 -0.79596 -0.77351 -0.75572 -0.75164 -0.71526 -0.70732 -0.70378 -0.70371 -0.70239 -0.67734 -0.66621 -0.65614 -0.64221 -0.61505 -0.61172 -0.60863 -0.59869 -0.59675 -0.57992 -0.57900 -0.57799 -0.57729 -0.57410 -0.57113 -0.56211 -0.55795 -0.54646 -0.54328 -0.53767 -0.53300 -0.53170 -0.52787 -0.52086 -0.51877 -0.51774 -0.51527 -0.51522 -0.50752 -0.49784 -0.49155 -0.48855 -0.48263 -0.46872 -0.46751 -0.46177 -0.45310 -0.45158 -0.42853 -0.41931 -0.41802 -0.41267 -0.37069 -0.36288 -0.35311 -0.32361 -0.32243 -0.31966 -0.06345 -0.00914 -0.00292 0.01899 0.02747 0.04797 0.05816 0.09171 0.14257 0.15375 0.15552 0.15774 0.15801 0.17843 0.18422 0.19029 0.20077 0.20314 0.20524 0.22294 0.22601 0.23442 0.23482 0.23611 0.23750 0.24379 0.25351 0.26194 0.26741 0.27802 0.28035 0.28363 0.28422 0.28826 0.30618 0.30705 0.31238 0.31699 0.32322 0.33867 0.34798 0.34828 0.35542 0.37854 0.38352 0.38992 0.39989 0.41399 0.42195 0.42989 0.44203 0.45411 0.45772 0.46221 0.46625 0.47914 0.48795 0.48905 0.49823 0.50852 0.50893 0.51046 0.51333 0.51473 0.52509 0.53727 0.53967 0.54322 0.54501 0.54654 0.54945 0.56908 0.57294 0.57896 0.59698 0.60483 0.62766 0.63109 0.64437 0.65376 0.65992 0.66175 0.66521 0.67078 0.67330 0.68686 0.69120 0.69495 0.70002 0.70366 0.70729 0.71379 0.71587 0.72108 0.72433 0.72748 0.73431 0.74034 0.74249 0.74783 0.75539 0.75817 0.75934 0.77786 0.78607 0.78697 0.79676 0.79839 0.79853 0.80365 0.81291 0.82067 0.83327 0.84130 0.85076 0.87747 0.88804 0.89466 0.90140 0.90489 0.93742 0.94868 0.95077 0.96501 0.97082 1.01427 1.04077 1.08261 1.09043 1.10103 1.11205 1.13582 1.14960 1.15634 1.15977 1.16088 1.16861 1.17185 1.17354 1.17439 1.19585 1.19971 1.20524 1.21080 1.22412 1.24487 1.24971 1.26110 1.26158 1.27083 1.27445 1.27745 1.28935 1.29511 1.30082 1.30783 1.32279 1.33440 1.36114 1.37331 1.38263 1.39338 1.39684 1.40330 1.40808 1.41012 1.43108 1.43536 1.43591 1.44359 1.45461 1.46752 1.48167 1.50319 1.51242 1.51331 1.51669 1.52988 1.53355 1.54721 1.55831 1.56197 1.56453 1.57769 1.61435 1.61861 1.64638 1.64784 1.66346 1.66387 1.68044 1.68265 1.68371 1.69002 1.69406 1.71802 1.72699 1.73497 1.73973 1.74681 1.75868 1.76289 1.78713 1.79022 1.79268 1.80605 1.81987 1.83045 1.83460 1.83802 1.84104 1.84599 1.85546 1.86455 1.87861 1.88021 1.88146 1.88428 1.89180 1.90049 1.90474 1.91429 1.93945 1.94719 1.95416 1.95594 1.96492 1.97403 1.97503 1.99086 1.99431 2.00302 2.01287 2.01617 2.03103 2.03906 2.04810 2.05871 2.07051 2.08353 2.09396 2.09769 2.11086 2.12324 2.12712 2.13871 2.15501 2.15901 2.16362 2.16562 2.17835 2.17983 2.20257 2.23244 2.24415 2.25869 2.28036 2.30057 2.31672 2.32258 2.33680 2.34115 2.35001 2.35789 2.36410 2.37063 2.42421 2.43090 2.43227 2.44694 2.45598 2.46178 2.47674 2.49070 2.50356 2.52105 2.52989 2.55689 2.57355 2.58185 2.60527 2.63214 2.64264 2.65494 2.67500 2.67641 2.70870 2.73216 2.74425 2.77170 2.77707 2.78814 2.79134 2.82087 2.82326 2.82438 2.83408 2.85921 2.87472 2.90106 2.90369 2.92121 2.96883 2.98134 2.98561 2.98582 2.99152 3.02473 3.04844 3.05676 3.07359 3.07749 3.10481 3.10851 3.10900 3.11317 3.11582 3.11853 3.12284 3.12350 3.12902 3.13271 3.13514 3.14347 3.14753 3.15285 3.15516 3.16665 3.18678 3.19257 3.21211 3.24559 3.24861 3.26603 3.30814 3.33403 3.47964 3.49188 3.50505 3.51370 3.51511 3.58549 3.60758 3.61011 3.66328 3.67016 3.69175 3.71337 3.74124 3.74930 3.76577 3.91651 3.91838 3.95517 3.95943 4.95809 4.96670 4.98127 4.98381 4.98521 5.05423 5.07181 5.1349 -0.2247 -0.0903 5.1407 -125.3698 -131.9014 -163.3965 0.0028 0.3321 0.8140 14.8527 8.3212 -23.1739 0.0028 0.3321 0.8140 166.3490 -6.1676 -0.4138 88.1799 1.6234 0.2627 -14.7166 -1.5240 -0.5553 -0.6585 -7696.1828 -6886.1071 -292.6180 -13.4211 1.2431 17.3244 0.8051 0.6071 1.9311 -2635.0421 -1559.1807 -1278.7528 9.1080 3.6914 0.5920 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 437.1177191999997 AuxInfo=1/0/N:5,17,6,16,3,12,4,14,2,11,20,24,21,22,23,25,26,27,7,13;34,38,28,30,32,31,33;1/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14,15,16,17,18)(19,20);(1,2)(4,5)(6,7);/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,19-1,20-1;3.3,4.3,5.3,6-1,7-1;/rA:41nCoC3C3C3C3C3NHHHC3C3NC3HC3C3HHCFFFCFFFC3HC3OC3OCHHHCHHH/rB:;s2;s3;s4;s5;s1s2s6;s3;s5;s6;s2;s11;s1s11;s12;s12;s13;s14s16;s16;s17;s4;s20;s20;s20;s14;s24;s24;s24;;s28;s28;s1s30;s28;s1s32;s30;s34;s34;s34;s32;s38;s38;s38;/rC:1.828,-.0089,.0071;-.8747,-.7476,.005;-2.018,-1.5334,.0436;-1.8678,-2.9196,.034;-.5983,-3.4786,-.0192;.4981,-2.6224,-.0532;.3561,-1.2981,-.0388;-3.0083,-1.0792,.0865;-.4438,-4.557,-.029;1.5228,-2.9952,-.0906;-.8731,.7317,.0138;-2.019,1.5186,-.0254;.3558,1.2804,.0556;-1.8694,2.9012,-.0198;-3.0073,1.0626,-.0659;.4985,2.6072,.0684;-.5962,3.461,.0331;1.5236,2.9787,.1056;-.4419,4.5405,.0415;-3.1084,-3.7836,.0849;-3.8139,-3.539,1.1924;-2.819,-5.0827,.0691;-3.9068,-3.5334,-.9563;-3.0794,3.8061,-.1066;-4.2157,3.1473,.1181;-3.0052,4.8002,.7799;-3.1691,4.3604,-1.3189;5.0496,-.0107,-.0013;6.1392,-.0112,-.005;4.3869,1.2215,.1096;3.1222,1.3604,.134;4.3851,-1.2423,-.1072;3.1201,-1.3797,-.123;5.1744,2.4951,.205;6.2568,2.3197,.2147;4.9184,3.1383,-.6514;4.8815,3.0355,1.118;5.1702,-2.517,-.2075;4.8713,-3.0564,-1.1192;6.2528,-2.3432,-.2233;4.918,-3.1604,.6499;/R:/0/N:34,38,5,17,6,16,28,3,12,30,32,4,14,2,11,20,24,1,21,22,23,25,26,27,7,13,31,33/E:(1,2)(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)(16,17)(19,20,21,22,23,24)(25,26)(27,28)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,18.4 0.000000 2.801898 0.000000 4.137366 1.387850 0.000000 4.704490 2.388432 1.394364 0.000000 4.234070 2.745097 2.409043 1.388109 0.000000 2.933057 2.324407 2.743408 2.386087 1.391596 0.000000 1.957229 1.349046 2.387213 2.753246 2.380376 1.331963 0.000000 4.954017 2.160754 1.090317 2.165792 3.402426 3.833537 3.373884 0.000000 5.084115 3.833888 3.409704 2.170951 1.089464 2.151880 3.355689 4.322696 0.000000 3.003478 3.287688 3.833063 3.393711 2.176703 1.091037 2.060091 4.922745 2.512066 0.000000 2.800844 1.479325 2.538177 3.784409 4.219425 3.624173 2.373570 2.800665 5.306309 4.431819 0.000000 4.139275 2.538844 3.052729 4.441132 5.195215 4.846021 3.684396 2.782028 6.276481 5.737801 1.390567 0.000000 1.957520 2.372672 3.681410 4.752357 4.854319 3.906879 2.580204 4.109282 5.892542 4.434382 1.346533 2.388105 0.000000 4.705352 3.782019 4.437513 5.821031 6.505213 6.009669 4.752609 4.141475 7.593264 6.802897 2.387555 1.390697 2.753993 0.000000 4.953155 2.798156 2.780237 4.143221 5.140817 5.085964 4.109267 2.147205 6.176834 6.081766 2.161141 1.089180 3.372366 2.162701 0.000000 2.935107 3.625509 4.845410 6.012141 6.184482 5.230956 3.909314 5.088002 7.226559 5.697428 2.324183 2.744415 1.334486 2.387797 3.833365 0.000000 4.232862 4.217863 5.192818 6.506042 6.939799 6.181583 4.853923 5.141440 8.019687 6.796117 2.743346 2.408470 2.379438 1.391885 3.402278 1.388755 0.000000 3.004681 4.432575 5.736414 6.804199 6.798234 5.696437 4.435663 6.083231 7.789514 5.977147 3.286633 3.833962 2.061695 3.396251 4.922416 1.090967 2.175155 0.000000 5.084329 5.305887 6.275034 7.595128 8.020876 7.224903 5.893401 6.178128 9.097790 7.788702 3.833213 3.409339 3.356310 2.174590 4.323007 2.150103 1.090516 2.511275 0.000000 6.214763 3.770040 2.500843 1.512695 2.530648 3.791360 4.265687 2.706297 2.776932 4.701093 5.038828 5.414088 6.135646 6.799477 4.849634 7.338438 7.668001 8.196687 8.740881 0.000000 6.760098 4.223863 2.927055 2.348030 3.436829 4.581007 4.891538 2.814751 3.726447 5.515677 5.317579 5.503104 6.473500 6.835710 4.838278 7.591884 7.790893 8.494234 8.830275 1.335786 0.000000 6.880576 4.751544 3.638626 2.363242 2.740810 4.131731 4.941266 4.007984 2.434686 4.820192 6.131590 6.650204 7.111141 8.040615 6.149626 8.374944 8.828134 9.156744 9.912434 1.330963 2.152836 0.000000 6.799932 4.228282 2.926990 2.348405 3.439072 4.587918 4.900109 2.813845 3.728351 5.524480 5.323099 5.472900 6.508967 6.814071 4.767063 7.626506 7.801289 8.545466 8.842414 1.335720 2.150720 2.152905 0.000000 6.216868 5.060526 5.445994 6.835377 7.696118 7.357061 6.153027 4.889601 8.768930 8.212033 3.786010 2.522650 4.266868 1.513391 2.744729 3.777522 2.510973 4.681578 2.741809 7.592186 7.495163 8.894290 7.434659 0.000000 6.819117 5.132753 5.171471 6.505925 7.550312 7.452420 6.378682 4.395687 8.579394 8.408569 4.125386 2.738421 4.938439 2.363164 2.416633 4.745351 3.634084 5.741801 4.023456 7.018924 6.783996 8.347793 6.773566 1.332535 0.000000 6.861815 5.993123 6.452212 7.838722 8.658572 8.249975 7.011271 5.920152 9.735161 9.056973 4.656755 3.519982 4.920394 2.352813 3.832113 4.194277 2.855644 4.927742 2.680134 8.612563 8.388517 9.910160 8.560128 1.334007 2.152973 0.000000 6.769081 5.754037 6.157799 7.518145 8.351588 7.988122 6.788570 5.620554 9.413422 8.810659 4.496153 3.327495 4.878645 2.346543 3.531571 4.295378 3.042520 5.095088 3.052960 8.264395 8.314089 9.550976 7.936492 1.336089 2.152226 2.150607 0.000000 3.221570 5.969969 7.229933 7.504194 6.627660 5.247801 4.866969 8.128922 7.130677 4.620962 5.969087 7.232153 4.868426 7.506829 8.128322 5.250732 6.627856 4.623942 7.132466 8.988600 9.614374 9.361854 9.671534 8.981058 9.789433 9.414626 9.401597 0.000000 4.311192 7.052487 8.298196 8.518930 7.577450 6.216306 5.924633 9.210120 8.000026 5.497514 7.051602 8.300404 5.926157 8.521775 9.209522 6.219192 7.577788 5.500527 8.001966 9.987855 10.627538 10.294396 10.688001 9.978207 10.826611 10.362737 10.367364 1.089622 0.000000 2.841150 5.618996 6.972602 7.501705 6.852767 5.470330 4.755792 7.744892 7.532974 5.101319 5.283675 6.414220 4.031888 6.479223 7.398015 4.128122 5.463751 3.359559 5.859900 9.012847 9.544058 9.574398 9.619307 7.903984 8.815565 8.240174 8.305872 1.403459 2.145486 0.000000 1.888385 4.520625 5.899553 6.574871 6.105955 4.773239 3.840434 6.598313 6.910802 4.645432 4.046308 5.146114 2.768663 5.226310 6.140014 2.905574 4.271882 2.274932 4.777502 8.079880 8.557764 8.764471 8.633994 6.670773 7.552375 7.056537 7.119833 2.369199 3.317064 1.272548 0.000000 2.841306 5.284230 6.411531 6.475490 5.462942 4.125081 4.029952 7.397763 5.857607 3.356451 5.617849 6.974330 4.756617 7.503014 7.743496 5.473060 6.852251 5.103963 7.534103 7.915035 8.613268 8.165705 8.644436 9.011360 9.658832 9.587249 9.482866 1.403386 2.145422 2.473262 2.902956 0.000000 1.888307 4.046572 5.143155 5.222551 4.271197 2.902408 2.766488 6.139384 4.775488 2.272046 4.519166 5.900848 3.840497 6.575145 6.596471 4.775414 6.104713 4.647293 6.911161 6.679541 7.380651 7.001555 7.396667 8.082499 8.623595 8.747939 8.598495 2.368931 3.316869 2.902599 2.752186 1.272527 0.000000 4.184125 6.866333 8.245329 8.884827 8.310234 6.937049 6.137034 8.930064 9.019462 6.600352 6.302240 7.262981 4.971522 7.059071 8.310534 4.679148 5.853332 3.683983 5.979378 10.394279 10.870853 11.015218 10.961717 8.363023 9.413082 8.517592 8.684188 2.517404 2.693829 1.500443 2.346012 3.832555 4.397935 0.000000 5.007897 7.765989 9.129521 9.669095 8.981533 7.593289 6.926063 9.869707 9.604467 7.124020 7.307373 8.317923 5.993888 8.150380 9.353197 5.767270 6.949724 4.780088 7.059378 11.179169 11.691874 11.712636 11.786800 9.459226 10.505586 9.605057 9.765463 2.633391 2.344178 2.171059 3.279043 4.036627 4.861924 1.096598 0.000000 4.459698 7.006550 8.391802 9.122540 8.638200 7.285787 6.393089 9.009174 9.399938 7.033118 6.306844 7.151432 4.976838 6.821292 8.213912 4.509483 5.566261 3.481834 5.583842 10.624749 11.146338 11.312447 11.067500 8.044102 9.166470 8.221565 8.206522 3.218134 3.439156 2.129795 2.646535 4.446390 4.891422 1.101206 1.792109 0.000000 4.452605 6.977416 8.344599 9.065918 8.588109 7.252393 6.371576 8.957879 9.344533 7.007903 6.296196 7.157143 4.968950 6.847434 8.217458 4.527159 5.600238 3.507623 5.635820 10.554900 10.901382 11.238428 11.166339 8.091275 9.152636 8.088773 8.515037 3.249723 3.482200 2.133597 2.620879 4.477386 4.912909 1.100667 1.794405 1.772809 0.000000 4.184115 6.302122 7.259540 7.053594 5.851141 4.675792 4.968837 8.309123 5.975754 3.680440 6.864735 8.246393 6.137377 8.885280 8.927743 6.939556 8.309327 6.602938 9.020309 8.379990 9.149783 8.395584 9.164364 10.394564 10.967456 11.016062 10.866372 2.517655 2.694269 3.832787 4.398333 1.500450 2.345906 5.029078 4.975202 5.678333 5.715849 0.000000 4.451749 6.293786 7.150886 6.838431 5.595128 4.522143 4.964496 8.212924 5.629416 3.503486 6.973703 8.342871 6.370090 9.063108 8.952575 7.253143 8.584754 7.009338 9.342974 8.102736 9.000575 8.041056 8.792609 10.551469 11.072102 11.285981 10.940677 3.249298 3.481718 4.477181 4.913126 2.133499 2.621189 5.715344 5.709783 6.212599 6.489783 1.100688 0.000000 5.008084 7.307507 8.314670 8.145071 6.947575 5.763957 5.991422 9.352114 7.055663 4.776559 7.764673 9.130986 6.926945 9.670363 9.867809 7.596240 8.981248 7.127182 9.605984 9.476358 10.235885 9.480894 10.255321 11.176640 11.825898 11.736515 11.615145 2.633929 2.344963 4.037241 4.862638 2.171137 3.279030 4.975543 4.683439 5.657864 5.710566 1.096597 1.794377 0.000000 4.460200 6.308195 7.150080 6.817954 5.565893 4.507702 4.975282 8.214359 5.582121 3.478961 7.006453 8.394681 6.394320 9.124737 9.008696 7.289353 8.638823 7.036143 9.402278 8.070365 8.756987 7.993366 8.977575 10.633090 11.112818 11.232357 11.217872 3.218984 3.440583 4.446871 4.891714 2.129869 2.645848 5.678774 5.657995 6.431753 6.213675 1.101198 1.772771 1.792165 0.000000 0.1433855 0.1229557 0.0678794 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 496 496 496 496 496 MxSgAt= 41 MxSgA2= 41. NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 496 496 496 496 496 MxSgAt= 41 MxSgA2= 41. 1 0.7554 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 Co C C C C C N H H H C C N C H C C H H C F F F C F F F C H C O C O C H H H C H H H 59 13 13 13 13 13 14 1 1 1 13 13 14 13 1 13 13 1 1 13 19 19 19 13 19 19 19 13 1 13 17 13 17 13 1 1 1 13 1 1 1 0.07704 0.00178 -0.00205 0.00289 -0.00297 0.00230 -0.02627 0.00005 0.00008 -0.00041 0.00200 -0.00215 -0.02634 0.00293 0.00005 0.00219 -0.00301 -0.00040 0.00009 -0.00085 0.00066 0.00001 0.00035 -0.00085 0.00000 0.00039 0.00048 0.00261 -0.00019 -0.00255 -0.00041 -0.00260 -0.00058 -0.00099 -0.00006 -0.00013 -0.00013 -0.00099 -0.00013 -0.00006 -0.00013 81.49697 2.00301 -2.30431 3.24476 -3.34238 2.58901 -8.48713 0.22252 0.37357 -1.82178 2.25180 -2.41247 -8.51103 3.28989 0.23541 2.46008 -3.38589 -1.76965 0.39777 -0.95048 2.76281 0.03789 1.47681 -0.95604 0.00192 1.65279 2.01639 2.93431 -0.84542 -2.86881 0.24819 -2.91993 0.35273 -1.11118 -0.26566 -0.57745 -0.58536 -1.11691 -0.58187 -0.26665 -0.58157 29.08014 0.71472 -0.82223 1.15781 -1.19264 0.92382 -3.02842 0.07940 0.13330 -0.65006 0.80350 -0.86083 -3.03695 1.17391 0.08400 0.87782 -1.20817 -0.63145 0.14193 -0.33915 0.98584 0.01352 0.52696 -0.34114 0.00069 0.58976 0.71950 1.04703 -0.30167 -1.02366 0.08856 -1.04190 0.12586 -0.39650 -0.09479 -0.20605 -0.20887 -0.39854 -0.20763 -0.09515 -0.20752 27.18446 0.66813 -0.76863 1.08234 -1.11490 0.86360 -2.83100 0.07422 0.12461 -0.60768 0.75112 -0.80471 -2.83897 1.09739 0.07852 0.82060 -1.12941 -0.59029 0.13268 -0.31704 0.92157 0.01264 0.49261 -0.31890 0.00064 0.55131 0.67260 0.97878 -0.28200 -0.95693 0.08279 -0.97398 0.11766 -0.37065 -0.08861 -0.19262 -0.19525 -0.37256 -0.19409 -0.08894 -0.19399 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 1.552896 0.004152 0.005626 -0.007246 0.003878 -0.011383 0.013567 0.001981 -0.000030 -0.004174 0.003504 0.005760 0.013660 -0.007311 0.001977 -0.010968 0.004071 -0.004237 -0.000004 0.000439 0.002541 -0.000303 0.002681 0.000392 0.000412 -0.000459 -0.000256 0.002283 0.004468 0.013138 -0.012858 0.013113 -0.013068 0.001720 0.001357 0.000751 0.000743 0.001725 0.000758 0.001358 0.000743 -3.089917 -0.011652 0.002354 -0.008168 0.005497 -0.003500 0.023262 -0.000626 0.001249 0.009313 -0.012261 0.002514 0.023313 -0.008265 -0.000622 -0.003024 0.005719 0.009376 0.001218 0.000033 -0.000799 0.000528 -0.001250 0.000072 -0.000562 0.002079 0.001971 -0.013254 -0.002872 0.001755 -0.051758 0.001773 -0.051556 -0.000372 -0.000271 0.000755 0.000704 -0.000380 0.000707 -0.000272 0.000748 1.537021 0.007500 -0.007980 0.015413 -0.009375 0.014883 -0.036829 -0.001355 -0.001220 -0.005139 0.008757 -0.008273 -0.036974 0.015576 -0.001354 0.013991 -0.009790 -0.005139 -0.001214 -0.000472 -0.001743 -0.000225 -0.001431 -0.000463 0.000151 -0.001620 -0.001715 0.010971 -0.001596 -0.014893 0.064616 -0.014886 0.064624 -0.001348 -0.001086 -0.001505 -0.001448 -0.001345 -0.001464 -0.001086 -0.001491 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 0.010279 0.006664 0.002126 0.002237 0.002153 0.006135 0.013693 0.000980 0.001480 0.000831 -0.006729 -0.002137 -0.013670 -0.002236 -0.001003 -0.006102 -0.002158 -0.000846 -0.001469 0.000993 0.002659 0.000700 0.001091 -0.001001 -0.000480 -0.002218 -0.002583 -0.000001 -0.000001 0.006594 0.005139 -0.006602 -0.005032 0.001750 0.001485 0.002353 0.002319 -0.001744 -0.002326 -0.001484 -0.002345 0.004032 0.000205 -0.000036 0.000508 -0.000059 0.000213 0.000155 0.000002 0.000011 0.000006 -0.000176 0.000081 0.000050 -0.000265 0.000011 -0.000248 0.000084 -0.000003 -0.000007 -0.000005 -0.001615 -0.000084 -0.000218 -0.000004 0.000149 -0.000378 0.000643 -0.000058 0.000033 0.000313 -0.000744 0.000036 -0.000253 0.000051 0.000041 -0.000623 0.000743 -0.000014 -0.000718 -0.000016 0.000649 -0.063000 -0.000081 0.000008 0.000068 0.000118 -0.000171 0.000588 0.000002 0.000020 0.000178 -0.000050 0.000077 0.000540 -0.000214 -0.000000 -0.000165 0.000137 0.000156 0.000016 -0.000006 -0.000942 -0.000412 0.000042 -0.000002 -0.000013 0.000520 -0.000872 -0.000439 -0.000023 0.000371 -0.002649 0.000270 -0.002387 0.000027 0.000023 -0.000495 0.000609 0.000006 0.000583 0.000008 -0.000520 -0.0022 0.9999 0.0136 -0.2365 -0.0138 0.9715 0.9716 -0.0011 0.2365 -3.0908 1.5369 1.5539 -390.303 194.082 196.221 -139.27 69.253 70.017 -130.191 64.739 65.452 1 Co 59 -0.3432 0.9392 0.0068 0.9248 0.3392 -0.1724 0.1642 0.0529 0.985 -0.0141 0.0066 0.0075 -1.89 0.88 1.01 -0.675 0.314 0.361 -0.631 0.294 0.337 2 C 13 0.0029 -0.0013 1.0 -0.4417 0.8971 0.0025 0.8971 0.4417 -0.002 -0.008 0.0013 0.0067 -1.071 0.175 0.895 -0.382 0.063 0.32 -0.357 0.059 0.299 3 C 13 -0.6325 0.7745 0.0106 0.7742 0.6326 -0.0209 0.0229 0.005 0.9997 -0.01 -0.0054 0.0154 -1.341 -0.729 2.07 -0.479 -0.26 0.739 -0.447 -0.243 0.69 4 C 13 0.0059 -0.0088 0.9999 0.8222 -0.5691 -0.0098 0.5691 0.8222 0.0039 -0.0094 0.0024 0.007 -1.258 0.321 0.938 -0.449 0.114 0.335 -0.42 0.107 0.313 5 C 13 0.8776 -0.4793 -0.0091 0.4793 0.8776 0.0032 0.0064 -0.0072 1.0 -0.0147 -1.0E-4 0.0149 -1.977 -0.02 1.997 -0.706 -0.007 0.713 -0.66 -0.007 0.666 6 C 13 -4.0E-4 -0.0097 1.0 0.8167 -0.5771 -0.0052 0.5771 0.8166 0.0082 -0.0368 0.0039 0.0329 -1.421 0.15 1.271 -0.507 0.054 0.453 -0.474 0.05 0.424 7 N 14 6.0E-4 -0.0037 1.0 -0.3169 0.9485 0.0037 0.9485 0.3169 6.0E-4 -0.0014 -0.001 0.0023 -0.723 -0.509 1.232 -0.258 -0.182 0.439 -0.241 -0.17 0.411 8 H 1 0.0032 -0.01 0.9999 0.8357 -0.5492 -0.0082 0.5492 0.8357 0.0066 -0.0012 -0.001 0.0022 -0.651 -0.535 1.186 -0.232 -0.191 0.423 -0.217 -0.178 0.395 9 H 1 0.0043 -0.0126 0.9999 0.9981 -0.0612 -0.0051 0.0612 0.998 0.0123 -0.0051 -0.0042 0.0094 -2.743 -2.254 4.997 -0.979 -0.804 1.783 -0.915 -0.752 1.667 10 H 1 0.346 0.9382 0.0046 0.9368 -0.3458 0.0532 -0.0515 0.0141 0.9986 -0.0147 0.006 0.0088 -1.978 0.802 1.176 -0.706 0.286 0.42 -0.66 0.268 0.392 11 C 13 -0.0071 -0.0085 0.9999 0.4444 0.8957 0.0108 0.8958 -0.4445 0.0026 -0.0083 0.0015 0.0068 -1.11 0.195 0.915 -0.396 0.07 0.327 -0.37 0.065 0.305 12 C 13 -0.0036 -0.0098 0.9999 0.8164 0.5774 0.0086 -0.5775 0.8164 0.0059 -0.037 0.004 0.033 -1.426 0.154 1.272 -0.509 0.055 0.454 -0.476 0.051 0.424 13 N 14 0.6291 0.7772 0.013 0.7772 -0.6292 0.0034 -0.0108 -0.008 0.9999 -0.0101 -0.0055 0.0156 -1.353 -0.738 2.091 -0.483 -0.263 0.746 -0.451 -0.246 0.697 14 C 13 -0.0052 -0.0065 1.0 0.3229 0.9464 0.0078 0.9464 -0.3229 0.0028 -0.0014 -0.001 0.0023 -0.723 -0.515 1.237 -0.258 -0.184 0.441 -0.241 -0.172 0.413 15 H 1 0.879 0.4767 0.0105 -0.4767 0.8791 0.002 -0.0083 -0.0067 0.9999 -0.0143 3.0E-4 0.014 -1.916 0.038 1.878 -0.684 0.014 0.67 -0.639 0.013 0.626 16 C 13 -0.0076 -0.0099 0.9999 0.8237 0.5669 0.0119 -0.567 0.8237 0.0039 -0.0098 0.0026 0.0072 -1.314 0.347 0.967 -0.469 0.124 0.345 -0.438 0.116 0.323 17 C 13 -0.0071 -0.0112 0.9999 0.9981 0.0617 0.0078 -0.0618 0.998 0.0107 -0.0051 -0.0043 0.0094 -2.743 -2.289 5.032 -0.979 -0.817 1.795 -0.915 -0.763 1.678 18 H 1 -0.0075 -0.0112 0.9999 0.8319 0.5549 0.0124 -0.5549 0.8319 0.0051 -0.0012 -0.001 0.0022 -0.648 -0.525 1.173 -0.231 -0.187 0.419 -0.216 -0.175 0.391 19 H 1 -0.6322 0.7748 0.0057 0.0071 -0.0015 1.0 0.7748 0.6322 -0.0046 -8.0E-4 -5.0E-4 0.0012 -0.104 -0.063 0.168 -0.037 -0.023 0.06 -0.035 -0.021 0.056 20 C 13 -0.0816 0.6222 0.7786 -0.5392 0.6294 -0.5595 0.8382 0.4655 -0.2842 -0.0023 -0.0022 0.0046 -1.168 -1.125 2.293 -0.417 -0.401 0.818 -0.39 -0.375 0.765 21 F 19 0.7928 -0.5328 -0.2961 0.4087 0.1044 0.9067 0.4521 0.8398 -0.3005 -7.0E-4 -3.0E-4 0.0011 -0.373 -0.156 0.529 -0.133 -0.056 0.189 -0.124 -0.052 0.176 22 F 19 -0.2353 0.8153 -0.5291 -0.0949 0.5225 0.8474 0.9673 0.2496 -0.0455 -0.0016 -0.0014 0.003 -0.799 -0.693 1.493 -0.285 -0.247 0.533 -0.267 -0.231 0.498 23 F 19 0.6488 0.7609 0.0112 -0.0065 -0.0091 0.9999 0.7609 -0.6489 -0.001 -8.0E-4 -5.0E-4 0.0012 -0.105 -0.062 0.167 -0.037 -0.022 0.06 -0.035 -0.021 0.056 24 C 13 0.3836 0.9222 -0.0496 -0.2364 0.15 0.96 0.8928 -0.3565 0.2755 -8.0E-4 1.0E-4 6.0E-4 -0.382 0.056 0.326 -0.136 0.02 0.116 -0.128 0.019 0.109 25 F 19 0.7395 0.3461 0.5774 -0.4518 -0.3807 0.8068 -0.499 0.8575 0.1252 -0.0018 -0.0017 0.0034 -0.9 -0.831 1.731 -0.321 -0.296 0.618 -0.3 -0.277 0.577 26 F 19 0.7267 0.342 -0.5957 0.423 0.4605 0.7804 -0.5412 0.8191 -0.1899 -0.002 -0.0019 0.0039 -1.004 -0.945 1.949 -0.358 -0.337 0.695 -0.335 -0.315 0.65 27 F 19 1.0E-4 0.9998 0.0181 1.0 -2.0E-4 0.0066 -0.0066 -0.0181 0.9998 -0.0133 0.0023 0.011 -1.78 0.306 1.473 -0.635 0.109 0.526 -0.594 0.102 0.491 28 C 13 1.0E-4 0.9998 0.0182 -0.0054 -0.0182 0.9998 1.0 -2.0E-4 0.0054 -0.0029 -0.0016 0.0045 -1.532 -0.851 2.384 -0.547 -0.304 0.851 -0.511 -0.284 0.795 29 H 1 -0.0065 -0.0197 0.9998 -0.4166 0.909 0.0152 0.9091 0.4164 0.0141 -0.0149 -0.0013 0.0162 -2.0 -0.169 2.169 -0.714 -0.06 0.774 -0.667 -0.056 0.724 30 C 13 -0.1282 0.9915 0.0216 0.9917 0.1279 0.014 -0.0111 -0.0232 0.9997 -0.0525 -0.0122 0.0647 3.797 0.883 -4.681 1.355 0.315 -1.67 1.267 0.295 -1.561 31 O 17 -0.0056 -0.0185 0.9998 0.4174 0.9085 0.0191 0.9087 -0.4175 -0.0026 -0.0149 -0.0013 0.0161 -1.998 -0.168 2.167 -0.713 -0.06 0.773 -0.667 -0.056 0.723 32 C 13 0.1275 0.9916 0.0205 0.9918 -0.1275 -7.0E-4 -0.0019 -0.0204 0.9998 -0.0523 -0.0124 0.0647 3.781 0.899 -4.68 1.349 0.321 -1.67 1.261 0.3 -1.561 33 O 17 -0.4925 0.8654 0.0926 0.0333 -0.0876 0.9956 0.8697 0.4934 0.0143 -0.0014 -0.0013 0.0027 -0.183 -0.181 0.364 -0.065 -0.065 0.13 -0.061 -0.06 0.121 34 C 13 -0.5097 0.8602 0.0175 -0.0033 -0.0222 0.9997 0.8603 0.5095 0.0142 -0.0012 -0.0011 0.0022 -0.614 -0.58 1.193 -0.219 -0.207 0.426 -0.205 -0.193 0.398 35 H 1 0.5364 -0.3588 0.7639 -0.4724 0.6224 0.6241 0.6994 0.6956 -0.1644 -0.0017 -0.0015 0.0032 -0.912 -0.815 1.727 -0.326 -0.291 0.616 -0.304 -0.272 0.576 36 H 1 -0.5401 0.3224 0.7774 -0.4697 0.651 -0.5963 0.6983 0.6872 0.2001 -0.0017 -0.0015 0.0032 -0.913 -0.815 1.728 -0.326 -0.291 0.617 -0.305 -0.272 0.576 37 H 1 0.4896 0.8665 0.097 -0.0445 -0.0863 0.9953 0.8708 -0.4916 -0.0037 -0.0014 -0.0013 0.0027 -0.183 -0.18 0.364 -0.065 -0.064 0.13 -0.061 -0.06 0.121 38 C 13 0.532 0.3232 0.7826 0.476 0.6502 -0.5921 0.7003 -0.6876 -0.1921 -0.0017 -0.0015 0.0032 -0.913 -0.815 1.728 -0.326 -0.291 0.617 -0.305 -0.272 0.576 39 H 1 0.5093 0.8603 0.0247 -0.008 -0.024 0.9997 0.8606 -0.5093 -0.0054 -0.0011 -0.0011 0.0022 -0.614 -0.58 1.193 -0.219 -0.207 0.426 -0.205 -0.193 0.398 40 H 1 2.02024270e+00 -8.84208953e-02 -3.55305766e-02 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 27 6 6 6 6 6 7 1 1 1 6 6 7 6 1 6 6 1 1 6 9 9 9 6 9 9 9 6 1 6 8 6 8 6 1 1 1 6 1 1 1 0.033556899 -0.000207246 0.000112917 0.004526464 -0.016426626 -0.000055986 0.002574476 0.009051038 -0.000162131 0.012148251 -0.002708629 0.000976195 -0.011631067 -0.001729564 -0.000134666 0.007751282 0.014310367 0.000067373 -0.028488864 -0.030214934 -0.000865435 0.000371878 0.000074671 -0.000032827 0.000345124 0.000389028 0.000044876 0.000057466 -0.000526104 0.000049134 0.005166421 0.016205539 0.000119335 0.002349220 -0.008653718 0.000168439 -0.029102475 0.030362471 0.000620571 0.013121240 0.003284834 -0.000130919 0.000292839 -0.000150079 -0.000006082 0.007755328 -0.014079808 -0.000098350 -0.010984112 0.001400790 0.000045532 0.000044956 0.000525445 -0.000010390 0.000194727 -0.000277866 -0.000063278 -0.009967929 -0.007464307 0.000404662 0.003568180 0.001660345 -0.002171205 0.001101514 0.003082171 0.000211341 0.003696213 0.000648746 0.000880455 -0.009506330 0.008408491 -0.000176319 0.002932028 -0.000307807 0.000051302 0.001744087 -0.003180618 -0.001628855 0.001877793 -0.003408047 0.001783827 -0.002337869 0.000023014 -0.000004190 -0.000771427 0.000003867 -0.000008066 0.010409777 -0.001803581 0.000042250 -0.009041645 -0.001639482 0.000354118 0.010349236 0.001778941 0.000078309 -0.008946156 0.001557434 -0.000396412 -0.001203501 -0.000818345 -0.000063083 -0.000620630 -0.000667199 -0.000016954 -0.000370594 -0.000373285 0.000039387 -0.000361540 -0.000356616 -0.000075127 -0.001212146 0.000814174 0.000017582 -0.000372533 0.000371072 0.000071764 -0.000633170 0.000650114 0.000009955 -0.000383409 0.000391307 -0.000049048 0.033556899 0.007704236 (Enter /usr/local/CompChem/Gaussian/g16/l716.exe) 0.7549 0.8682 0.9076 0.7539 0.7539 0.7539 0.7539 0.7539 0.7539 0.7539 0.7539 0.7539 0.7539 0.7539 0.7539 0.7539 0.7539 0.7539 0.7539 0.7539 0.7539 0.7539 0.7539 0.7539 0.7539 0.7539 0.7539 0.7539 open 1 1 1 -2895.72293522699 -2895.72293652918 -0.000001302195 -2895.72293660581 -0.000000076628 -2895.72293660814 -0.000000002337 -2895.72293660840 -0.000000000258 -2895.72293660841 -0.000000000010 -2895.72293660844 -0.000000000026 -2895.72293660847 -0.000000000035 -2895.72293660851 -0.000000000035 -2895.72293660849 0.000000000014 -2895.72293660855 -0.000000000059 -2895.72293660865 -0.000000000093 -2895.72293660866 -0.000000000010 -2895.72293660869 -0.000000000032 -2895.72293660866 0.000000000026 -2895.72293660866 -0.000000000001 -2895.72293660870 -0.000000000041 -2895.72293660866 0.000000000040 -2895.72293661 18 0.7539 2.880803870130e+03 -1.322740415776e+04 4.245550371588e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 7527202816 LenX= 7526677738 LenY= 7526421196 Requested convergence on RMS density matrix=1.00D-08 within 32 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. 0.7539 (Enter /usr/local/CompChem/Gaussian/g16/l716.exe) 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 Co C C C C C N H H H C C N C H C C H H C F F F C F F F C H C O C O C H H H C H H H 59 13 13 13 13 13 14 1 1 1 13 13 14 13 1 13 13 1 1 13 19 19 19 13 19 19 19 13 1 13 17 13 17 13 1 1 1 13 1 1 1 0.46489 -0.00002 0.00014 -0.00041 -0.00020 -0.00086 -0.01589 -0.00005 -0.00003 -0.00005 -0.00006 0.00015 -0.01587 -0.00041 -0.00005 -0.00084 -0.00020 -0.00005 -0.00003 0.00014 -0.00011 -0.00000 -0.00011 0.00014 -0.00001 -0.00006 -0.00012 0.00134 0.00004 -0.00021 -0.00693 -0.00021 -0.00693 -0.00116 -0.00004 -0.00002 -0.00001 -0.00116 -0.00001 -0.00004 -0.00002 491.81390 -0.02515 0.15578 -0.45794 -0.22886 -0.96228 -5.13559 -0.24314 -0.13341 -0.24034 -0.06572 0.16590 -5.12804 -0.46307 -0.24463 -0.94292 -0.22800 -0.24124 -0.13415 0.15177 -0.44955 -0.00057 -0.45025 0.15342 -0.02532 -0.24679 -0.50803 1.50973 0.18632 -0.23256 4.19826 -0.23102 4.20157 -1.30822 -0.19816 -0.08787 -0.04386 -1.30965 -0.04434 -0.19827 -0.08697 175.49143 -0.00897 0.05559 -0.16341 -0.08166 -0.34336 -1.83251 -0.08676 -0.04760 -0.08576 -0.02345 0.05920 -1.82981 -0.16524 -0.08729 -0.33646 -0.08136 -0.08608 -0.04787 0.05415 -0.16041 -0.00020 -0.16066 0.05474 -0.00903 -0.08806 -0.18128 0.53871 0.06648 -0.08298 1.49804 -0.08244 1.49922 -0.46681 -0.07071 -0.03135 -0.01565 -0.46732 -0.01582 -0.07075 -0.03103 164.05146 -0.00839 0.05196 -0.15275 -0.07634 -0.32098 -1.71305 -0.08110 -0.04450 -0.08017 -0.02192 0.05534 -1.71053 -0.15446 -0.08160 -0.31453 -0.07605 -0.08047 -0.04475 0.05062 -0.14995 -0.00019 -0.15019 0.05117 -0.00845 -0.08232 -0.16946 0.50359 0.06215 -0.07758 1.40039 -0.07706 1.40149 -0.43638 -0.06610 -0.02931 -0.01463 -0.43685 -0.01479 -0.06613 -0.02901 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 -1.421102 0.011890 0.002333 0.002533 -0.000954 -0.000530 -0.000779 0.002223 -0.000510 -0.005565 0.011981 0.002314 -0.000778 0.002535 0.002223 -0.000609 -0.000974 -0.005550 -0.000515 0.000552 0.000100 0.000208 0.000072 0.000546 0.000626 0.000350 0.000332 0.009276 0.003542 0.008561 0.018703 0.008540 0.018744 0.001608 0.001403 0.000774 0.000725 0.001603 0.000711 0.001397 0.000772 -1.533605 -0.004026 -0.001869 0.001561 0.001218 0.008459 0.002944 -0.001124 0.001519 0.010373 -0.003921 -0.001870 0.002924 0.001572 -0.001124 0.008372 0.001197 0.010354 0.001526 0.000076 0.000127 0.000305 0.000133 0.000083 -0.000103 -0.000075 -0.000086 -0.006156 -0.001888 -0.001261 -0.024050 -0.001243 -0.024114 -0.000487 -0.000388 0.000718 0.000614 -0.000483 0.000621 -0.000384 0.000723 2.954707 -0.007864 -0.000464 -0.004094 -0.000265 -0.007929 -0.002166 -0.001099 -0.001009 -0.004808 -0.008060 -0.000444 -0.002146 -0.004107 -0.001099 -0.007763 -0.000222 -0.004804 -0.001011 -0.000628 -0.000227 -0.000514 -0.000205 -0.000630 -0.000523 -0.000274 -0.000245 -0.003120 -0.001654 -0.007300 0.005347 -0.007297 0.005370 -0.001122 -0.001015 -0.001492 -0.001339 -0.001120 -0.001332 -0.001014 -0.001495 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 -0.000879 0.005900 0.001796 0.001978 0.002143 0.006595 0.011218 0.000733 0.001318 0.001797 -0.005908 -0.001786 -0.011225 -0.001973 -0.000734 -0.006578 -0.002158 -0.001784 -0.001318 0.000863 0.000476 0.000685 0.000464 -0.000864 -0.000597 -0.000518 -0.000335 -0.000011 -0.000003 0.006763 0.002949 -0.006771 -0.003015 0.001652 0.001441 0.002368 0.002288 -0.001653 -0.002287 -0.001443 -0.002368 0.005291 0.000137 0.000070 -0.000183 0.000098 0.000102 0.001476 -0.000049 0.000020 0.000066 -0.000170 -0.000075 -0.001519 0.000226 0.000045 -0.000116 -0.000103 -0.000064 -0.000019 -0.000013 -0.000055 -0.000015 0.000072 0.000022 -0.000106 -0.000106 0.000028 -0.000025 -0.000014 0.000375 -0.000536 -0.000451 0.000498 0.000142 0.000124 -0.000450 0.000793 -0.000152 -0.000803 -0.000136 0.000438 -0.326509 -0.000079 -0.000019 0.000016 0.000030 0.000598 0.000925 -0.000012 0.000027 0.000557 -0.000067 -0.000005 0.000974 -0.000026 -0.000010 0.000600 0.000035 0.000560 0.000027 -0.000009 -0.000082 -0.000007 0.000069 -0.000016 0.000002 0.000134 0.000040 -0.000087 -0.000017 0.000480 -0.004483 0.000500 -0.004509 0.000069 0.000058 -0.000330 0.000648 0.000073 0.000661 0.000066 -0.000318 0.0036 0.9974 0.0722 1.0 -0.0035 -0.0015 0.0012 -0.0722 0.9974 -1.5572 -1.4211 2.9783 -196.646 -179.456 376.102 -70.168 -64.034 134.203 -65.594 -59.86 125.454 1 Co 59 -0.0241 0.0574 0.9981 -0.3127 0.9478 -0.0621 0.9495 0.3136 0.0049 -0.0079 -0.006 0.0138 -1.056 -0.801 1.857 -0.377 -0.286 0.663 -0.352 -0.267 0.619 2 C 13 -0.3464 0.9379 0.0204 -0.0089 -0.025 0.9996 0.938 0.3461 0.017 -0.0025 -5.0E-4 0.003 -0.34 -0.062 0.402 -0.121 -0.022 0.143 -0.113 -0.021 0.134 3 C 13 0.0317 -0.0139 0.9994 -0.6159 0.7873 0.0305 0.7872 0.6165 -0.0164 -0.0041 0.0 0.0041 -0.55 0.002 0.548 -0.196 0.001 0.196 -0.184 0.001 0.183 4 C 13 0.8519 -0.5227 -0.0337 0.0143 -0.041 0.9991 0.5236 0.8515 0.0275 -0.0023 -3.0E-4 0.0025 -0.305 -0.035 0.34 -0.109 -0.013 0.121 -0.102 -0.012 0.114 5 C 13 0.0289 -0.048 0.9984 0.8839 -0.4653 -0.0479 0.4668 0.8839 0.029 -0.008 -0.004 0.012 -1.067 -0.538 1.605 -0.381 -0.192 0.573 -0.356 -0.179 0.535 6 C 13 0.7642 -0.6416 -0.0655 -0.022 -0.1275 0.9916 0.6446 0.7564 0.1115 -0.0103 -0.0023 0.0126 -0.398 -0.089 0.488 -0.142 -0.032 0.174 -0.133 -0.03 0.163 7 N 14 -0.2047 0.9788 0.0075 0.0158 -0.0043 0.9999 0.9787 0.2048 -0.0146 -0.0013 -0.0011 0.0024 -0.682 -0.587 1.268 -0.243 -0.209 0.453 -0.227 -0.196 0.423 8 H 1 0.8967 -0.4409 -0.0381 0.0296 -0.0263 0.9992 0.4416 0.8972 0.0105 -0.0012 -0.001 0.0022 -0.619 -0.538 1.157 -0.221 -0.192 0.413 -0.206 -0.18 0.386 9 H 1 0.9939 -0.1105 -0.0045 4.0E-4 -0.0367 0.9993 0.1106 0.9932 0.0364 -0.0058 -0.0048 0.0106 -3.076 -2.576 5.652 -1.098 -0.919 2.017 -1.026 -0.859 1.885 10 H 1 0.0227 0.0485 0.9986 0.3133 0.9482 -0.0532 0.9494 -0.3141 -0.0064 -0.0081 -0.0059 0.0139 -1.082 -0.788 1.87 -0.386 -0.281 0.667 -0.361 -0.263 0.624 11 C 13 0.3462 0.9381 0.0149 0.0136 -0.0209 0.9997 0.9381 -0.3458 -0.02 -0.0025 -4.0E-4 0.003 -0.339 -0.06 0.399 -0.121 -0.021 0.142 -0.113 -0.02 0.133 12 C 13 0.764 0.6419 0.0653 0.025 -0.1307 0.9911 -0.6447 0.7556 0.1159 -0.0103 -0.0023 0.0127 -0.399 -0.089 0.488 -0.142 -0.032 0.174 -0.133 -0.03 0.163 13 N 14 -0.0364 -0.0081 0.9993 0.6162 0.787 0.0288 0.7867 -0.6169 0.0237 -0.0041 0.0 0.0041 -0.552 0.003 0.549 -0.197 0.001 0.196 -0.184 0.001 0.183 14 C 13 0.205 0.9787 0.0059 -0.0141 -0.0031 0.9999 0.9786 -0.2051 0.0132 -0.0013 -0.0011 0.0024 -0.682 -0.587 1.268 -0.243 -0.209 0.453 -0.227 -0.196 0.423 15 H 1 -0.0284 -0.0486 0.9984 0.8841 0.4649 0.0478 -0.4665 0.884 0.0298 -0.0078 -0.0041 0.0119 -1.045 -0.547 1.592 -0.373 -0.195 0.568 -0.349 -0.182 0.531 16 C 13 0.8511 0.5239 0.0331 -0.0121 -0.0434 0.999 -0.5248 0.8506 0.0306 -0.0023 -2.0E-4 0.0025 -0.31 -0.03 0.339 -0.11 -0.011 0.121 -0.103 -0.01 0.113 17 C 13 0.9939 0.1101 0.0019 0.0021 -0.0366 0.9993 -0.1101 0.9932 0.0366 -0.0057 -0.0048 0.0106 -3.067 -2.574 5.641 -1.094 -0.918 2.013 -1.023 -0.859 1.882 18 H 1 0.8974 0.4396 0.0365 -0.0283 -0.0251 0.9993 -0.4402 0.8978 0.0101 -0.0012 -0.001 0.0022 -0.62 -0.539 1.159 -0.221 -0.192 0.414 -0.207 -0.18 0.387 19 H 1 0.0116 -0.0014 0.9999 -0.6057 0.7956 0.0082 0.7956 0.6058 -0.0084 -6.0E-4 -6.0E-4 0.0012 -0.084 -0.078 0.162 -0.03 -0.028 0.058 -0.028 -0.026 0.054 20 C 13 -0.7005 0.7005 0.1364 0.1795 -0.0121 0.9837 0.6907 0.7135 -0.1172 -4.0E-4 -2.0E-4 6.0E-4 -0.183 -0.119 0.302 -0.065 -0.042 0.108 -0.061 -0.04 0.101 21 F 19 0.0577 -0.0397 0.9975 0.7294 -0.6805 -0.0693 0.6816 0.7316 -0.0103 -5.0E-4 -4.0E-4 9.0E-4 -0.258 -0.216 0.474 -0.092 -0.077 0.169 -0.086 -0.072 0.158 22 F 19 0.7323 -0.6801 -0.0354 -0.0602 -0.1164 0.9914 0.6783 0.7238 0.1262 -4.0E-4 -2.0E-4 6.0E-4 -0.182 -0.109 0.291 -0.065 -0.039 0.104 -0.061 -0.036 0.097 23 F 19 -0.0242 -0.0075 0.9997 0.6084 0.7934 0.0206 0.7933 -0.6087 0.0146 -6.0E-4 -6.0E-4 0.0012 -0.085 -0.078 0.162 -0.03 -0.028 0.058 -0.028 -0.026 0.054 24 C 13 0.2479 0.3265 0.9121 0.4229 0.8106 -0.4051 0.8716 -0.4861 -0.0628 -6.0E-4 -4.0E-4 0.001 -0.277 -0.209 0.486 -0.099 -0.074 0.173 -0.092 -0.07 0.162 25 F 19 0.4821 0.8064 -0.3425 0.3204 0.2016 0.9256 0.8154 -0.5559 -0.1612 -4.0E-4 -3.0E-4 7.0E-4 -0.222 -0.141 0.363 -0.079 -0.05 0.13 -0.074 -0.047 0.121 26 F 19 0.3896 0.6945 -0.6049 0.2885 0.5317 0.7963 0.8746 -0.4848 0.0068 -3.0E-4 -2.0E-4 5.0E-4 -0.155 -0.105 0.26 -0.055 -0.037 0.093 -0.052 -0.035 0.087 27 F 19 7.0E-4 0.9996 0.0287 0.002 -0.0287 0.9996 1.0 -7.0E-4 -0.002 -0.0062 -0.0031 0.0093 -0.826 -0.418 1.245 -0.295 -0.149 0.444 -0.276 -0.14 0.415 28 C 13 8.0E-4 0.9975 0.0704 0.0026 -0.0704 0.9975 1.0 -6.0E-4 -0.0027 -0.0019 -0.0017 0.0035 -1.008 -0.882 1.89 -0.36 -0.315 0.674 -0.336 -0.294 0.63 29 H 1 0.0188 -0.0995 0.9949 -0.4548 0.8853 0.0971 0.8904 0.4543 0.0286 -0.0073 -0.0047 0.012 -0.985 -0.628 1.613 -0.352 -0.224 0.576 -0.329 -0.21 0.538 30 C 13 -0.065 0.9873 0.1452 0.0739 -0.1403 0.9873 0.9951 0.0749 -0.0639 -0.0249 0.0059 0.019 1.802 -0.43 -1.372 0.643 -0.153 -0.49 0.601 -0.143 -0.458 31 O 17 -0.0124 -0.0954 0.9954 0.4563 0.8852 0.0906 0.8897 -0.4553 -0.0325 -0.0073 -0.0047 0.012 -0.985 -0.628 1.613 -0.351 -0.224 0.576 -0.329 -0.21 0.538 32 C 13 0.0664 0.9871 0.1456 -0.0718 -0.1408 0.9874 0.9952 -0.076 0.0615 -0.025 0.006 0.019 1.808 -0.432 -1.375 0.645 -0.154 -0.491 0.603 -0.144 -0.459 33 O 17 -0.4827 0.8753 0.0303 -0.0232 -0.0474 0.9986 0.8755 0.4813 0.0432 -0.0014 -0.0011 0.0025 -0.187 -0.151 0.339 -0.067 -0.054 0.121 -0.062 -0.051 0.113 34 C 13 -0.4871 0.8717 0.0542 -0.0106 -0.0679 0.9976 0.8733 0.4854 0.0423 -0.0012 -0.001 0.0022 -0.634 -0.544 1.179 -0.226 -0.194 0.421 -0.212 -0.182 0.393 35 H 1 0.6277 -0.5439 0.5569 -0.324 0.4679 0.8222 0.7078 0.6966 -0.1174 -0.0017 -0.0015 0.0032 -0.895 -0.801 1.696 -0.319 -0.286 0.605 -0.299 -0.267 0.566 36 H 1 0.6502 -0.4812 -0.5879 0.2931 -0.5551 0.7784 0.7009 0.6785 0.2199 -0.0017 -0.0015 0.0032 -0.9 -0.802 1.701 -0.321 -0.286 0.607 -0.3 -0.267 0.567 37 H 1 0.4838 0.8745 0.0342 0.024 -0.0524 0.9983 0.8748 -0.4822 -0.0463 -0.0014 -0.0011 0.0025 -0.187 -0.151 0.338 -0.067 -0.054 0.121 -0.062 -0.05 0.113 38 C 13 0.6536 0.4798 0.5853 -0.2905 -0.555 0.7795 0.6989 -0.6795 -0.2234 -0.0017 -0.0015 0.0032 -0.9 -0.802 1.703 -0.321 -0.286 0.608 -0.3 -0.268 0.568 39 H 1 0.4886 0.871 0.052 0.0154 -0.0682 0.9976 0.8724 -0.4866 -0.0467 -0.0012 -0.001 0.0022 -0.634 -0.544 1.179 -0.226 -0.194 0.421 -0.212 -0.182 0.393 40 H 1 PT160091.800S 2024-10-31T12:40:57.000 -24.86607 -24.86601 -24.86295 -24.86206 -24.86193 -24.86121 -19.27068 -19.27066 -14.51779 -14.51774 -10.56565 -10.56550 -10.39065 -10.39025 -10.39005 -10.38996 -10.37316 -10.37250 -10.36548 -10.36542 -10.35017 -10.34994 -10.34459 -10.34439 -10.29553 -10.29551 -10.28174 -3.86503 -2.54226 -2.54057 -2.53945 -1.42602 -1.42597 -1.33082 -1.33074 -1.32711 -1.32695 -1.14659 -1.12967 -1.11360 -1.08548 -0.96278 -0.95594 -0.93398 -0.87889 -0.87756 -0.83930 -0.83921 -0.82946 -0.79635 -0.79497 -0.76994 -0.75362 -0.75050 -0.71203 -0.70660 -0.70398 -0.70387 -0.70220 -0.67571 -0.66346 -0.64921 -0.63738 -0.61206 -0.60728 -0.60386 -0.59624 -0.59338 -0.57902 -0.57811 -0.57683 -0.57562 -0.57256 -0.56749 -0.56012 -0.55610 -0.54515 -0.54315 -0.53784 -0.53251 -0.53084 -0.52650 -0.52020 -0.51548 -0.51497 -0.51474 -0.51061 -0.49997 -0.49526 -0.48881 -0.48650 -0.48208 -0.46667 -0.46196 -0.45750 -0.45134 -0.44121 -0.42728 -0.41561 -0.41266 -0.40978 -0.38241 -0.36949 -0.36497 -0.36460 -0.35699 -0.34809 -0.31314 -0.04095 -0.00180 0.00283 0.01980 0.02449 0.05983 0.09062 0.14699 0.15532 0.15721 0.15858 0.15903 0.17923 0.18487 0.19065 0.20619 0.21024 0.21149 0.22350 0.22599 0.23478 0.23656 0.23691 0.24159 0.24381 0.25486 0.26166 0.26917 0.27974 0.28415 0.28482 0.28630 0.28871 0.30803 0.31294 0.31603 0.31888 0.32607 0.34254 0.34343 0.34871 0.35578 0.37237 0.38394 0.39550 0.40071 0.41268 0.42433 0.43238 0.44346 0.45773 0.45979 0.46371 0.46631 0.47888 0.48868 0.49182 0.50105 0.50814 0.50975 0.51165 0.51306 0.51678 0.52817 0.53949 0.54176 0.54303 0.54432 0.54656 0.55081 0.57102 0.57564 0.58460 0.59728 0.60937 0.62954 0.63932 0.64449 0.65486 0.66366 0.66440 0.66648 0.67166 0.67937 0.68732 0.69314 0.69556 0.70080 0.70424 0.70854 0.71478 0.71781 0.72338 0.72765 0.73164 0.73472 0.74078 0.74328 0.74908 0.75548 0.75842 0.76058 0.78171 0.78815 0.78887 0.79653 0.79937 0.80230 0.80824 0.81184 0.82175 0.83265 0.84156 0.85360 0.87181 0.88790 0.89063 0.90034 0.90815 0.92940 0.94268 0.94403 0.96270 0.97185 1.01295 1.04430 1.08432 1.09666 1.09961 1.11195 1.13296 1.15166 1.15542 1.16045 1.16304 1.16970 1.16996 1.17200 1.17642 1.19759 1.19930 1.20652 1.21200 1.22365 1.24522 1.25294 1.26011 1.26622 1.27163 1.27318 1.28423 1.29158 1.29776 1.30322 1.31053 1.31953 1.33859 1.35991 1.37305 1.38171 1.39130 1.39766 1.39997 1.40498 1.40677 1.43035 1.43316 1.43765 1.44412 1.44858 1.45330 1.48019 1.48584 1.51580 1.51815 1.51916 1.52857 1.53919 1.54173 1.56131 1.56298 1.56751 1.57367 1.61356 1.61730 1.64225 1.64753 1.66081 1.66440 1.67484 1.68322 1.68642 1.69474 1.69761 1.72156 1.73022 1.73307 1.73899 1.74921 1.76081 1.77552 1.78673 1.79383 1.79659 1.80645 1.82187 1.83201 1.84013 1.84122 1.84480 1.85549 1.85772 1.86651 1.87101 1.87995 1.88057 1.88539 1.89125 1.90332 1.91660 1.91673 1.94686 1.95204 1.95623 1.95696 1.96384 1.96643 1.97835 1.99584 1.99983 2.00971 2.01564 2.01639 2.03152 2.03829 2.04878 2.06350 2.07445 2.09653 2.09874 2.10288 2.10518 2.12507 2.13190 2.14192 2.15966 2.16054 2.16449 2.17140 2.17955 2.18123 2.20448 2.23688 2.25050 2.27152 2.28179 2.30328 2.32337 2.32805 2.33833 2.34570 2.35227 2.35489 2.36097 2.37186 2.42937 2.43180 2.43819 2.45593 2.46076 2.46383 2.47775 2.49743 2.50509 2.52501 2.53357 2.55633 2.57796 2.59026 2.60863 2.63939 2.64171 2.65570 2.67375 2.68710 2.70350 2.72844 2.74745 2.78195 2.78615 2.79519 2.81084 2.82585 2.82961 2.83152 2.83906 2.87859 2.88245 2.90685 2.91148 2.92767 2.96476 2.98258 2.98664 2.99153 2.99890 3.02635 3.04360 3.07355 3.07459 3.07657 3.10851 3.10889 3.11460 3.11577 3.11730 3.11902 3.12243 3.12308 3.12873 3.13329 3.13604 3.14407 3.14769 3.15332 3.15568 3.17506 3.18699 3.19495 3.21306 3.25032 3.25336 3.26321 3.31252 3.33708 3.47066 3.49442 3.50650 3.50846 3.51581 3.60339 3.61642 3.61861 3.67106 3.67873 3.69397 3.72536 3.74121 3.76020 3.77835 3.92046 3.92292 3.95886 3.96570 4.91792 4.93625 4.93725 4.94186 4.94832 5.01892 5.02837 -277.76799 -32.99916 -28.64373 -28.64327 -28.61934 -24.86607 -24.86601 -24.86296 -24.86206 -24.86194 -24.86122 -19.27098 -19.27096 -14.51801 -14.51797 -10.56565 -10.56550 -10.39068 -10.39028 -10.39007 -10.38998 -10.37320 -10.37254 -10.36551 -10.36545 -10.35016 -10.34993 -10.34459 -10.34438 -10.29556 -10.29553 -10.28174 -3.81735 -2.50522 -2.50392 -2.45667 -1.42602 -1.42597 -1.33082 -1.33074 -1.32712 -1.32696 -1.14712 -1.13029 -1.11385 -1.08574 -0.96287 -0.95604 -0.93410 -0.87900 -0.87764 -0.83945 -0.83926 -0.82951 -0.79639 -0.79505 -0.76999 -0.75370 -0.75059 -0.71206 -0.70661 -0.70399 -0.70388 -0.70221 -0.67578 -0.66352 -0.64775 -0.63731 -0.61244 -0.60752 -0.60354 -0.59599 -0.59338 -0.57903 -0.57809 -0.57681 -0.57556 -0.57259 -0.56749 -0.56011 -0.55614 -0.54512 -0.54315 -0.53784 -0.53251 -0.53085 -0.52632 -0.52035 -0.51565 -0.51497 -0.51486 -0.50907 -0.49972 -0.49479 -0.48848 -0.48652 -0.48180 -0.46648 -0.46136 -0.45206 -0.45012 -0.43953 -0.42643 -0.41509 -0.40961 -0.40741 -0.36937 -0.35108 -0.35040 -0.34912 -0.33651 -0.30956 -0.04062 -0.00180 0.00257 0.01947 0.02231 0.05464 0.05967 0.11208 0.14837 0.15530 0.15770 0.15861 0.16193 0.17947 0.18511 0.19108 0.20615 0.21023 0.21148 0.22353 0.23134 0.23477 0.23669 0.24004 0.24161 0.24378 0.25681 0.26373 0.26910 0.27978 0.28416 0.28498 0.28842 0.28950 0.30798 0.31398 0.31714 0.31966 0.32636 0.34256 0.34773 0.34862 0.35816 0.37245 0.38476 0.39544 0.40201 0.41264 0.42431 0.43251 0.44370 0.45785 0.45973 0.46376 0.46631 0.47924 0.48916 0.49177 0.50107 0.50814 0.51001 0.51155 0.51306 0.51678 0.52821 0.53975 0.54189 0.54332 0.54468 0.54670 0.55080 0.57098 0.57557 0.58457 0.59745 0.60935 0.62957 0.63944 0.64458 0.65477 0.66354 0.66449 0.66657 0.67194 0.67935 0.68751 0.69315 0.69553 0.70084 0.70413 0.70854 0.71474 0.71818 0.72346 0.72764 0.73167 0.73474 0.74076 0.74326 0.74906 0.75551 0.75839 0.76073 0.78171 0.78811 0.78879 0.79662 0.79935 0.80250 0.80841 0.81179 0.82194 0.83290 0.84162 0.85358 0.87193 0.88794 0.89128 0.90037 0.90838 0.92945 0.94426 0.94606 0.96378 0.97175 1.01314 1.04432 1.08452 1.09727 1.09995 1.11191 1.13398 1.15229 1.15556 1.16058 1.16347 1.16971 1.17036 1.17221 1.17648 1.19769 1.20015 1.20686 1.21221 1.22552 1.24526 1.25501 1.26553 1.27152 1.27417 1.28058 1.28447 1.29195 1.29890 1.30338 1.31376 1.32148 1.33852 1.36063 1.37490 1.38180 1.39129 1.39772 1.39998 1.40501 1.40723 1.43258 1.43323 1.43764 1.44478 1.44958 1.45432 1.48241 1.48721 1.51613 1.51848 1.52132 1.52872 1.54039 1.54409 1.56137 1.56304 1.56892 1.57726 1.61357 1.61730 1.64327 1.64768 1.66154 1.66463 1.67548 1.68367 1.68645 1.69483 1.69747 1.72479 1.73011 1.73345 1.73939 1.74938 1.76088 1.77583 1.78682 1.79388 1.79697 1.80656 1.82190 1.83194 1.84012 1.84121 1.84483 1.85551 1.85804 1.86702 1.87179 1.87994 1.88072 1.88548 1.89135 1.90324 1.91662 1.91818 1.94702 1.95202 1.95624 1.95695 1.96573 1.96739 1.97880 1.99584 2.00014 2.01044 2.01559 2.01636 2.03148 2.03864 2.04922 2.06441 2.07509 2.09678 2.09874 2.10291 2.10559 2.12511 2.13186 2.14212 2.15965 2.16051 2.16476 2.17139 2.17985 2.18119 2.20477 2.23697 2.25055 2.27150 2.28186 2.30315 2.32391 2.32820 2.33832 2.34604 2.35222 2.35492 2.36095 2.37191 2.42926 2.43179 2.43854 2.45625 2.46067 2.46373 2.47758 2.49737 2.50511 2.52507 2.53375 2.55631 2.57778 2.58999 2.60850 2.63929 2.64160 2.65573 2.67429 2.68681 2.70340 2.72835 2.74736 2.78190 2.78608 2.79474 2.81052 2.82565 2.82960 2.83139 2.83903 2.87878 2.88227 2.90756 2.91149 2.92756 2.96571 2.98254 2.98656 2.99151 2.99883 3.02626 3.04407 3.07355 3.07444 3.07657 3.10851 3.10889 3.11454 3.11577 3.11727 3.11897 3.12243 3.12307 3.12849 3.13328 3.13604 3.14407 3.14773 3.15372 3.15579 3.17498 3.18675 3.19495 3.21306 3.25031 3.25334 3.26294 3.31249 3.33696 3.47083 3.49438 3.50638 3.50838 3.51560 3.60328 3.61642 3.61858 3.67105 3.67872 3.69355 3.72533 3.74080 3.76020 3.77832 3.92045 3.92292 3.95886 3.96570 4.94461 4.95876 4.97882 4.98313 5.00354 5.06155 5.07100 2.32926201e+00 -8.20526796e-02 3.38341664e-02 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 5.9204 -0.2086 0.0860 5.9247 -126.8502 -133.6284 -162.3015 -0.0341 -0.2571 1.2756 14.0765 7.2983 -21.3748 -0.0341 -0.2571 1.2756 163.9396 -5.5826 0.8281 83.8801 1.5588 0.4627 -11.1866 -1.7120 0.7104 0.5340 -7893.7286 -6835.4607 -297.6803 -10.8562 -7.4962 18.3267 28.5532 -7.3411 21.2165 -2660.4221 -1585.3269 -1269.0756 28.1300 -5.4364 1.3708 0 -2895.7229366 0.753899 0. 0.75001 4.261E-9 1.563E-5 10.4655603,5.4260956,-15.8916559,-0.0253425,-0.1911152,0.9483743 C01 [X(C17H13Co1F6N2O2)] 2.3305601 -0.0825091 0.0360644 0.000010774 0.000010104 0.000005311 0.000005389 0.000001837 -0.000008547 -0.000001565 -0.000000274 -0.000013871 -0.000002631 0.000004202 -0.000030149 0.000003088 -0.000004058 -0.000033750 0.000001449 0.000003018 -0.000025383 -0.000006998 -0.000010909 -0.000008777 0.000002380 -0.000002654 -0.000013431 0.000002753 -0.000000525 -0.000042267 0.000002254 0.000001286 -0.000026967 0.000007214 -0.000003649 0.000004901 -0.000005340 0.000000965 0.000012932 -0.000000947 -0.000000501 0.000009512 -0.000003613 -0.000003328 0.000026057 -0.000000028 -0.000001163 0.000008670 -0.000007178 0.000001141 0.000027919 0.000001803 0.000000359 0.000031052 -0.000001247 -0.000000790 0.000026433 -0.000003327 -0.000001494 0.000042305 0.000009910 -0.000008878 -0.000030824 -0.000002971 -0.000016083 -0.000031753 0.000003529 -0.000004127 -0.000047007 0.000001523 0.000008165 -0.000037689 -0.000001919 -0.000000973 0.000021911 -0.000004304 -0.000006101 0.000028091 -0.000002575 -0.000006361 0.000047360 -0.000001647 0.000006276 0.000044286 -0.000001603 0.000007319 0.000003406 0.000000217 0.000003206 0.000002241 0.000008613 -0.000001561 0.000013887 -0.000011353 0.000000586 0.000004214 -0.000001329 -0.000000149 -0.000011206 0.000001025 0.000000648 -0.000013854 -0.000003556 0.000000590 0.000025835 -0.000001291 0.000001848 0.000023425 -0.000001943 0.000008584 0.000030752 -0.000002009 -0.000007430 0.000029693 0.000001986 0.000005871 -0.000021406 0.000002081 0.000012999 -0.000026565 0.000001378 0.000005625 -0.000019377 0.000002010 -0.000003618 -0.000027370 437.1177191999997 AuxInfo=1/0/N:5,17,6,16,3,12,4,14,2,11,20,24,21,22,23,25,26,27,7,13;34,38,28,30,32,31,33;1/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14,15,16,17,18)(19,20);(1,2)(4,5)(6,7);/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,19-1,20-1;3.3,4.3,5.3,6-1,7-1;/rA:41nCoC3C3C3C3C3NHHHC3C3NC3HC3C3HHCFFFCFFFC3HC3OC3OCHHHCHHH/rB:;s2;s3;s4;s5;s1s2s6;s3;s5;s6;s2;s11;s1s11;s12;s12;s13;s14s16;s16;s17;s4;s20;s20;s20;s14;s24;s24;s24;;s28;s28;s1s30;s28;s1s32;s30;s34;s34;s34;s32;s38;s38;s38;/rC:1.828,-.0088,.0071;-.8747,-.7476,.005;-2.018,-1.5334,.0436;-1.8678,-2.9196,.034;-.5983,-3.4786,-.0192;.4981,-2.6224,-.0532;.3561,-1.2981,-.0388;-3.0083,-1.0792,.0865;-.4438,-4.557,-.029;1.5228,-2.9952,-.0906;-.8731,.7317,.0138;-2.019,1.5186,-.0254;.3558,1.2804,.0556;-1.8694,2.9012,-.0198;-3.0073,1.0626,-.0659;.4985,2.6072,.0684;-.5962,3.461,.0331;1.5236,2.9787,.1056;-.4419,4.5405,.0415;-3.1084,-3.7836,.0849;-3.8139,-3.539,1.1924;-2.819,-5.0827,.0691;-3.9068,-3.5334,-.9563;-3.0794,3.8061,-.1066;-4.2157,3.1473,.1181;-3.0052,4.8002,.7799;-3.1691,4.3604,-1.3189;5.0496,-.0107,-.0013;6.1392,-.0112,-.0051;4.3869,1.2215,.1096;3.1222,1.3604,.134;4.3851,-1.2423,-.1072;3.1201,-1.3797,-.123;5.1744,2.4951,.205;6.2568,2.3197,.2147;4.9184,3.1383,-.6514;4.8815,3.0355,1.118;5.1702,-2.517,-.2075;4.8713,-3.0564,-1.1192;6.2528,-2.3432,-.2233;4.918,-3.1604,.6499;/R:/0/N:34,38,5,17,6,16,28,3,12,30,32,4,14,2,11,20,24,1,21,22,23,25,26,27,7,13,31,33/E:(1,2)(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)(16,17)(19,20,21,22,23,24)(25,26)(27,28)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,18.4 Gaussian 16 GINC-NODO01 FUNES coments ES64L-G16RevC.02 UwB97XD def2SVP Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk UwB97XD/def2SVP Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 437.1177191999997 AuxInfo=1/0/N:5,17,6,16,3,12,4,14,2,11,20,24,21,22,23,25,26,27,7,13;34,38,28,30,32,31,33;1/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14,15,16,17,18)(19,20);(1,2)(4,5)(6,7);/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,19-1,20-1;3.3,4.3,5.3,6-1,7-1;/rA:41nCoC3C3C3C3C3NHHHC3C3NC3HC3C3HHCFFFCFFFC3HC3OC3OCHHHCHHH/rB:;s2;s3;s4;s5;s1s2s6;s3;s5;s6;s2;s11;s1s11;s12;s12;s13;s14s16;s16;s17;s4;s20;s20;s20;s14;s24;s24;s24;;s28;s28;s1s30;s28;s1s32;s30;s34;s34;s34;s32;s38;s38;s38;/rC:1.828,-.0089,.0071;-.8747,-.7476,.005;-2.018,-1.5334,.0436;-1.8678,-2.9196,.034;-.5983,-3.4786,-.0192;.4981,-2.6224,-.0532;.3561,-1.2981,-.0388;-3.0083,-1.0792,.0865;-.4438,-4.557,-.029;1.5228,-2.9952,-.0906;-.8731,.7317,.0138;-2.019,1.5186,-.0254;.3558,1.2804,.0556;-1.8694,2.9012,-.0198;-3.0073,1.0626,-.0659;.4985,2.6072,.0684;-.5962,3.461,.0331;1.5236,2.9787,.1056;-.4419,4.5405,.0415;-3.1084,-3.7836,.0849;-3.8139,-3.539,1.1924;-2.819,-5.0827,.0691;-3.9068,-3.5334,-.9563;-3.0794,3.8061,-.1066;-4.2157,3.1473,.1181;-3.0052,4.8002,.7799;-3.1691,4.3604,-1.3189;5.0496,-.0107,-.0013;6.1392,-.0112,-.005;4.3869,1.2215,.1096;3.1222,1.3604,.134;4.3851,-1.2423,-.1072;3.1201,-1.3797,-.123;5.1744,2.4951,.205;6.2568,2.3197,.2147;4.9184,3.1383,-.6514;4.8815,3.0355,1.118;5.1702,-2.517,-.2075;4.8713,-3.0564,-1.1192;6.2528,-2.3432,-.2233;4.918,-3.1604,.6499;/R:/0/N:34,38,5,17,6,16,28,3,12,30,32,4,14,2,11,20,24,1,21,22,23,25,26,27,7,13,31,33/E:(1,2)(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)(16,17)(19,20,21,22,23,24)(25,26)(27,28)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,18.4 coments Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 59 12 12 12 12 12 14 1 1 1 12 12 14 12 1 12 12 1 1 12 19 19 19 12 19 19 19 12 1 12 16 12 16 12 1 1 1 12 1 1 1 58.9331978 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 14.0030740 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 14.0030740 12.0000000 1.0078250 12.0000000 12.0000000 1.0078250 1.0078250 12.0000000 18.9984032 18.9984032 18.9984032 12.0000000 18.9984032 18.9984032 18.9984032 12.0000000 1.0078250 12.0000000 15.9949146 12.0000000 15.9949146 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 7 0 0 0 0 0 2 1 1 1 0 0 2 0 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 0 0 0 0 0 1 1 1 0 1 1 1 25.3800000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 4.5500000 1.0000000 1.0000000 1.0000000 3.6000000 3.6000000 4.5500000 3.6000000 1.0000000 3.6000000 3.6000000 1.0000000 1.0000000 3.6000000 6.7500000 6.7500000 6.7500000 3.6000000 6.7500000 6.7500000 6.7500000 3.6000000 1.0000000 3.6000000 5.6000000 3.6000000 5.6000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/CompChem/Gaussian/g16/l101.exe) Structure from the checkpoint file: "CoII_acac.chk" Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 1 1 1 1 2 2 2 3 3 4 4 5 5 6 6 11 11 12 12 13 14 14 16 16 17 20 20 20 24 24 24 28 28 28 30 30 32 32 34 34 34 38 38 38 7 13 31 33 3 7 11 4 8 5 20 6 9 7 10 12 13 14 15 16 17 24 17 18 19 21 22 23 25 26 27 29 30 32 31 34 33 38 35 36 37 39 40 41 1.9572 1.9575 1.8884 1.8883 1.3879 1.349 1.4793 1.3944 1.0903 1.3881 1.5127 1.3916 1.0895 1.332 1.091 1.3906 1.3465 1.3907 1.0892 1.3345 1.3919 1.5134 1.3888 1.091 1.0905 1.3358 1.331 1.3357 1.3325 1.334 1.3361 1.0896 1.4035 1.4034 1.2725 1.5004 1.2725 1.5004 1.0966 1.1012 1.1007 1.1007 1.0966 1.1012 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 7 7 13 31 3 3 7 2 2 4 3 3 5 4 4 6 5 5 7 1 1 2 2 2 12 11 11 14 1 1 11 12 12 17 13 13 17 14 14 16 4 4 4 21 21 22 14 14 14 25 25 26 29 29 30 28 28 31 1 28 28 33 1 30 30 30 35 35 36 32 32 32 39 39 40 1 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 11 11 11 12 12 12 13 13 13 14 14 14 16 16 16 17 17 17 20 20 20 20 20 20 24 24 24 24 24 24 28 28 28 30 30 30 31 32 32 32 33 34 34 34 34 34 34 38 38 38 38 38 38 13 33 31 33 7 11 11 4 8 8 5 20 20 6 9 9 7 10 10 2 6 6 12 13 13 14 15 15 11 16 16 17 24 24 17 18 18 16 19 19 21 22 23 22 23 23 25 26 27 26 27 27 30 32 32 31 34 34 30 33 38 38 32 35 36 37 36 37 37 39 40 41 40 41 41 82.4623 91.9926 92.0744 93.5599 121.432 124.5348 114.0326 118.289 120.8947 120.8153 119.9464 118.6365 121.4171 118.2738 121.921 119.8043 121.8371 122.0445 116.1182 114.62 125.099 120.2199 124.3875 114.1199 121.4914 118.2842 120.7886 120.926 114.6618 125.0727 120.2007 119.8916 120.547 119.5428 121.7826 116.0677 122.1495 118.3467 121.8571 119.7953 110.8848 112.2578 110.9153 107.6636 107.2319 107.6725 112.1172 111.2861 110.7198 107.6859 107.5093 107.3059 118.2181 118.2182 123.5638 124.5168 120.1649 115.318 126.9159 124.4999 120.1893 115.3106 126.9367 112.506 108.9298 109.2588 109.2555 109.5023 107.247 109.2494 112.512 108.9356 109.4983 107.2427 109.2612 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A76 A77 A78 A79 7 13 7 13 1 1 1 1 31 33 31 33 33 31 33 31 -1 -1 -2 -2 185.5525 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 185.6344 182.1377 182.1627 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 13 13 33 33 7 7 31 31 13 33 7 31 7 7 11 11 3 3 11 11 3 3 7 7 2 2 8 8 3 3 20 20 3 3 3 5 5 5 4 4 9 9 5 5 10 10 2 2 13 13 2 2 12 12 11 11 15 15 1 1 11 11 12 12 24 24 12 12 12 17 17 17 13 13 18 18 29 29 32 32 29 29 30 30 28 34 28 28 28 31 31 31 28 38 28 28 28 33 33 33 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 4 4 4 4 4 4 4 4 4 4 5 5 5 5 6 6 6 6 11 11 11 11 11 11 11 11 12 12 12 12 13 13 13 13 14 14 14 14 14 14 14 14 14 14 16 16 16 16 28 28 28 28 28 28 28 28 30 30 30 30 30 30 30 30 32 32 32 32 32 32 32 32 7 7 7 7 13 13 13 13 31 31 33 33 3 3 3 3 7 7 7 7 11 11 11 11 4 4 4 4 5 5 5 5 20 20 20 20 20 20 6 6 6 6 7 7 7 7 12 12 12 12 13 13 13 13 14 14 14 14 16 16 16 16 17 17 17 17 24 24 24 24 24 24 17 17 17 17 30 30 30 30 32 32 32 32 31 31 34 34 34 34 34 34 33 33 38 38 38 38 38 38 2 6 2 6 11 16 11 16 30 30 32 32 4 8 4 8 1 6 1 6 12 13 12 13 5 20 5 20 6 9 6 9 21 22 23 21 22 23 7 10 7 10 1 2 1 2 14 15 14 15 1 16 1 16 17 24 17 24 17 18 17 18 16 19 16 19 25 26 27 25 26 27 14 19 14 19 31 34 31 34 33 38 33 38 1 1 35 36 37 35 36 37 1 1 39 40 41 39 40 41 -1.0547 -178.2025 -178.6644 4.1878 -1.0657 -178.1294 -178.7011 4.2352 -177.2805 0.5568 -177.6183 0.2439 -0.0996 179.5328 -179.7973 -0.1649 -176.9369 0.3627 2.7904 -179.91 -4.3598 176.0353 175.9226 -3.6823 -0.2827 179.6084 -179.9154 -0.0243 0.3985 -179.9525 -179.4895 0.1595 -59.5515 179.9795 59.4777 120.3379 -0.1311 -120.6329 -0.1407 179.7022 -179.7973 0.0456 176.7595 -0.2397 -3.0922 179.9086 -179.6118 0.0006 -0.0348 179.5777 2.8031 -179.9773 -176.8145 0.4051 -0.4205 178.0047 179.9676 -1.6072 176.5965 -3.2559 -0.3158 179.8318 0.5051 -179.8488 -177.9359 1.7102 14.078 134.7602 -105.9845 -167.4914 -46.8092 72.4461 -0.1392 -179.7928 179.7042 0.0506 -179.5699 0.6293 0.4053 -179.3955 -179.5656 0.6271 0.4592 -179.3481 -0.9078 178.9017 -2.169 119.1283 -124.0093 178.0125 -60.6902 56.1722 -0.7179 179.0979 -123.9165 -2.0841 119.2282 56.2591 178.0916 -60.5961 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically Berny optimization. local minimum Step number 1 out of a maximum of 2 All quantities printed in internal units (Hartrees-Bohrs-Radians) Second derivative matrix not updated -- analytic derivatives used. 0.00090 0.00091 0.00093 0.00103 0.00394 0.00750 0.00879 0.01066 0.01208 0.01347 0.01487 0.01644 0.01703 0.01819 0.01923 0.01954 0.02006 0.02165 0.02322 0.02396 0.02496 0.02517 0.02655 0.02685 0.02956 0.03068 0.03104 0.03212 0.03773 0.04234 0.05160 0.05193 0.05498 0.05501 0.09888 0.10289 0.11176 0.11366 0.11730 0.11866 0.11973 0.12141 0.12146 0.12343 0.12499 0.12574 0.12654 0.12767 0.12886 0.13492 0.13670 0.13684 0.13737 0.13852 0.14344 0.14422 0.14493 0.16189 0.17779 0.18861 0.19402 0.19596 0.19750 0.19997 0.20319 0.20798 0.20990 0.21980 0.22598 0.22892 0.23936 0.24189 0.24563 0.26151 0.26380 0.26836 0.26910 0.28640 0.29575 0.31928 0.32605 0.33437 0.34549 0.34557 0.34649 0.34681 0.35552 0.35601 0.37079 0.37118 0.37119 0.37241 0.37279 0.37365 0.37635 0.38421 0.38445 0.39313 0.39437 0.39557 0.40088 0.41341 0.42707 0.45057 0.45924 0.46080 0.46861 0.50249 0.50512 0.51548 0.52190 0.56628 0.56718 0.56785 0.57143 0.58617 0.67296 Angle between quadratic step and forces= 73.61 degrees. 1 2 0.00027055 0.00000009 0.00000004 0.00000001 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 3.69863 3.69918 3.56853 3.56838 2.62266 2.54933 2.79552 2.63497 2.06040 2.62315 2.85858 2.62974 2.05879 2.51705 2.06176 2.62779 2.54458 2.62804 2.05825 2.52181 2.63028 2.85989 2.62437 2.06163 2.06078 2.52427 2.51515 2.52415 2.51813 2.52091 2.52484 2.05909 2.65215 2.65201 2.40477 2.83543 2.40473 2.83544 2.07227 2.08098 2.07996 2.08000 2.07227 2.08096 1.43924 1.60557 1.60700 1.63293 2.11939 2.17354 1.99024 2.06453 2.11001 2.10862 2.09346 2.07060 2.11913 2.06427 2.12792 2.09098 2.12646 2.13008 2.02664 2.00050 2.18339 2.09823 2.17097 1.99177 2.12042 2.06445 2.10816 2.11056 2.00123 2.18293 2.09790 2.09250 2.10394 2.08642 2.12551 2.02576 2.13191 2.06554 2.12681 2.09082 1.93530 1.95927 1.93584 1.87908 1.87155 1.87924 1.95681 1.94231 1.93242 1.87947 1.87639 1.87284 2.06329 2.06330 2.15659 2.17323 2.09727 2.01268 2.21510 2.17293 2.09770 2.01255 2.21546 1.96360 1.90118 1.90693 1.90687 1.91118 1.87181 1.90676 1.96370 1.90128 1.91110 1.87174 1.90697 3.23850 3.23993 3.17890 3.17934 -0.01841 -3.11022 -3.11828 0.07309 -0.01860 -3.10895 -3.11892 0.07392 -3.09413 0.00972 -3.10002 0.00426 -0.00174 3.13344 -3.13806 -0.00288 -3.08813 0.00633 0.04870 -3.14002 -0.07609 3.07240 3.07043 -0.06427 -0.00493 3.13476 -3.14012 -0.00042 0.00696 -3.14076 -3.13268 0.00278 -1.03937 3.14123 1.03808 2.10029 -0.00229 -2.10544 -0.00246 3.13640 -3.13806 0.00080 3.08504 -0.00418 -0.05397 3.14000 -3.13482 0.00001 -0.00061 3.13422 0.04892 -3.14120 -3.08599 0.00707 -0.00734 3.10677 3.14103 -0.02805 3.08219 -0.05683 -0.00551 3.13866 0.00882 -3.13895 -3.10557 0.02985 0.24571 2.35201 -1.84978 -2.92328 -0.81697 1.26442 -0.00243 -3.13798 3.13643 0.00088 -3.13409 0.01098 0.00707 -3.13104 -3.13401 0.01094 0.00801 -3.13022 -0.01584 3.12242 -0.03786 2.07918 -2.16437 3.10690 -1.05924 0.98039 -0.01253 3.12585 -2.16275 -0.03637 2.08093 0.98191 3.10828 -1.05760 0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00009 0.00000 -0.00005 -0.00000 0.00001 -0.00001 -0.00000 0.00000 -0.00001 0.00001 0.00001 0.00000 -0.00000 -0.00001 0.00000 0.00001 -0.00001 -0.00001 -0.00000 0.00001 0.00001 -0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00002 0.00001 0.00002 -0.00002 0.00000 -0.00001 0.00001 0.00002 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00003 -0.00001 0.00003 -0.00000 -0.00001 0.00001 -0.00001 -0.00000 0.00001 0.00000 0.00005 -0.00005 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00003 0.00002 0.00001 -0.00002 0.00002 -0.00000 0.00000 0.00000 -0.00001 -0.00001 0.00002 -0.00001 -0.00000 -0.00002 0.00002 0.00001 -0.00001 0.00000 -0.00001 0.00000 0.00000 0.00004 -0.00000 -0.00003 -0.00001 -0.00000 0.00000 -0.00001 -0.00001 0.00001 -0.00001 0.00000 0.00001 -0.00000 -0.00001 0.00001 0.00000 0.00001 -0.00001 -0.00001 -0.00000 -0.00000 0.00001 -0.00003 0.00000 0.00002 -0.00002 0.00002 -0.00002 -0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00001 0.00001 0.00002 0.00003 -0.00006 0.00005 0.00002 -0.00000 -0.00003 -0.00004 -0.00013 -0.00001 -0.00011 -0.00074 -0.00068 0.00058 0.00055 0.00002 0.00003 0.00008 0.00009 -0.00000 0.00003 -0.00006 -0.00003 0.00004 -0.00003 0.00009 0.00003 -0.00005 -0.00001 -0.00006 -0.00002 0.00004 0.00001 -0.00001 -0.00003 0.00028 0.00026 0.00028 0.00032 0.00031 0.00033 0.00001 -0.00001 0.00003 0.00001 -0.00001 -0.00004 0.00001 -0.00002 -0.00010 -0.00007 -0.00003 -0.00000 0.00002 0.00011 -0.00005 0.00004 0.00000 0.00002 -0.00003 -0.00001 0.00008 0.00010 -0.00002 0.00000 0.00002 0.00004 0.00001 0.00002 0.00018 0.00016 0.00018 0.00020 0.00018 0.00019 -0.00001 -0.00003 -0.00004 -0.00005 -0.00006 -0.00007 0.00006 0.00005 -0.00008 -0.00007 -0.00020 -0.00019 0.00050 0.00050 0.00035 0.00038 0.00038 0.00034 0.00038 0.00038 -0.00023 -0.00024 -0.00014 -0.00013 -0.00013 -0.00013 -0.00012 -0.00013 0.00009 0.00000 -0.00005 -0.00000 0.00001 -0.00001 -0.00000 0.00000 -0.00001 0.00001 0.00001 0.00000 -0.00000 -0.00001 0.00000 0.00001 -0.00001 -0.00001 -0.00000 0.00001 0.00001 -0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00002 0.00001 0.00002 -0.00002 0.00000 -0.00001 0.00001 0.00002 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00003 -0.00001 0.00003 -0.00000 -0.00001 0.00001 -0.00001 -0.00000 0.00001 0.00000 0.00005 -0.00005 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00003 0.00002 0.00001 -0.00002 0.00002 -0.00000 0.00000 0.00000 -0.00001 -0.00001 0.00002 -0.00001 -0.00000 -0.00002 0.00002 0.00001 -0.00001 0.00000 -0.00001 0.00000 0.00000 0.00004 -0.00000 -0.00003 -0.00001 -0.00000 0.00000 -0.00001 -0.00001 0.00001 -0.00001 0.00000 0.00001 -0.00000 -0.00001 0.00001 0.00000 0.00001 -0.00001 -0.00001 -0.00000 -0.00000 0.00001 -0.00003 0.00000 0.00002 -0.00002 0.00002 -0.00002 -0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00001 0.00001 0.00002 0.00003 -0.00006 0.00005 0.00002 -0.00000 -0.00003 -0.00004 -0.00013 -0.00001 -0.00011 -0.00074 -0.00068 0.00058 0.00055 0.00002 0.00003 0.00008 0.00009 -0.00000 0.00003 -0.00006 -0.00003 0.00004 -0.00003 0.00009 0.00003 -0.00005 -0.00001 -0.00006 -0.00002 0.00004 0.00001 -0.00001 -0.00003 0.00028 0.00026 0.00028 0.00032 0.00031 0.00033 0.00001 -0.00001 0.00003 0.00001 -0.00001 -0.00004 0.00001 -0.00002 -0.00010 -0.00007 -0.00003 -0.00000 0.00002 0.00011 -0.00005 0.00004 0.00000 0.00002 -0.00003 -0.00001 0.00008 0.00010 -0.00002 0.00000 0.00002 0.00004 0.00001 0.00002 0.00018 0.00016 0.00018 0.00020 0.00018 0.00019 -0.00001 -0.00003 -0.00004 -0.00005 -0.00006 -0.00007 0.00006 0.00005 -0.00008 -0.00007 -0.00020 -0.00019 0.00050 0.00050 0.00035 0.00038 0.00038 0.00034 0.00038 0.00038 -0.00023 -0.00024 -0.00014 -0.00013 -0.00013 -0.00013 -0.00012 -0.00013 3.69872 3.69918 3.56848 3.56838 2.62267 2.54932 2.79552 2.63497 2.06040 2.62316 2.85859 2.62974 2.05879 2.51704 2.06176 2.62780 2.54457 2.62803 2.05825 2.52182 2.63029 2.85989 2.62436 2.06163 2.06077 2.52427 2.51515 2.52416 2.51814 2.52092 2.52482 2.05909 2.65214 2.65203 2.40478 2.83542 2.40472 2.83544 2.07227 2.08097 2.07996 2.08000 2.07227 2.08096 1.43924 1.60555 1.60699 1.63296 2.11939 2.17353 1.99026 2.06453 2.11001 2.10863 2.09346 2.07064 2.11908 2.06427 2.12792 2.09098 2.12646 2.13008 2.02665 2.00047 2.18341 2.09824 2.17095 1.99179 2.12042 2.06445 2.10816 2.11055 2.00122 2.18295 2.09789 2.09250 2.10392 2.08644 2.12552 2.02575 2.13191 2.06553 2.12681 2.09083 1.93535 1.95927 1.93580 1.87908 1.87154 1.87924 1.95680 1.94230 1.93244 1.87947 1.87639 1.87285 2.06329 2.06329 2.15661 2.17323 2.09729 2.01267 2.21509 2.17293 2.09769 2.01256 2.21544 1.96360 1.90120 1.90691 1.90688 1.91116 1.87181 1.90676 1.96371 1.90128 1.91111 1.87174 1.90696 3.23851 3.23995 3.17893 3.17928 -0.01836 -3.11020 -3.11828 0.07306 -0.01864 -3.10907 -3.11893 0.07381 -3.09487 0.00904 -3.09944 0.00481 -0.00172 3.13347 -3.13798 -0.00279 -3.08814 0.00636 0.04864 -3.14005 -0.07606 3.07237 3.07052 -0.06424 -0.00498 3.13475 -3.14018 -0.00045 0.00699 -3.14075 -3.13269 0.00276 -1.03909 3.14150 1.03837 2.10062 -0.00198 -2.10512 -0.00245 3.13638 -3.13802 0.00080 3.08502 -0.00423 -0.05396 3.13998 -3.13492 -0.00006 -0.00064 3.13422 0.04894 -3.14109 -3.08604 0.00711 -0.00734 3.10678 3.14100 -0.02806 3.08227 -0.05672 -0.00553 3.13866 0.00884 -3.13892 -3.10556 0.02987 0.24589 2.35217 -1.84960 -2.92308 -0.81680 1.26461 -0.00244 -3.13800 3.13639 0.00083 -3.13415 0.01092 0.00713 -3.13099 -3.13409 0.01088 0.00782 -3.13040 -0.01535 3.12292 -0.03751 2.07956 -2.16399 3.10725 -1.05887 0.98077 -0.01276 3.12561 -2.16289 -0.03650 2.08079 0.98178 3.10817 -1.05773 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000010 0.000002 0.001343 0.000271 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -8.267239e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 1 1 1 1 2 2 2 3 3 4 4 5 5 6 6 11 11 12 12 13 14 14 16 16 17 20 20 20 24 24 24 28 28 28 30 30 32 32 34 34 34 38 38 38 7 13 31 33 3 7 11 4 8 5 20 6 9 7 10 12 13 14 15 16 17 24 17 18 19 21 22 23 25 26 27 29 30 32 31 34 33 38 35 36 37 39 40 41 1.9572 1.9575 1.8884 1.8883 1.3879 1.349 1.4793 1.3944 1.0903 1.3881 1.5127 1.3916 1.0895 1.332 1.091 1.3906 1.3465 1.3907 1.0892 1.3345 1.3919 1.5134 1.3888 1.091 1.0905 1.3358 1.331 1.3357 1.3325 1.334 1.3361 1.0896 1.4035 1.4034 1.2725 1.5004 1.2725 1.5004 1.0966 1.1012 1.1007 1.1007 1.0966 1.1012 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 7 7 13 31 3 3 7 2 2 4 3 3 5 4 4 6 5 5 7 1 1 2 2 2 12 11 11 14 1 1 11 12 12 17 13 13 17 14 14 16 4 4 4 21 21 22 14 14 14 25 25 26 29 29 30 28 28 31 1 28 28 33 1 30 30 30 35 35 36 32 32 32 39 39 40 1 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 11 11 11 12 12 12 13 13 13 14 14 14 16 16 16 17 17 17 20 20 20 20 20 20 24 24 24 24 24 24 28 28 28 30 30 30 31 32 32 32 33 34 34 34 34 34 34 38 38 38 38 38 38 13 33 31 33 7 11 11 4 8 8 5 20 20 6 9 9 7 10 10 2 6 6 12 13 13 14 15 15 11 16 16 17 24 24 17 18 18 16 19 19 21 22 23 22 23 23 25 26 27 26 27 27 30 32 32 31 34 34 30 33 38 38 32 35 36 37 36 37 37 39 40 41 40 41 41 82.4623 91.9926 92.0744 93.5599 121.432 124.5348 114.0326 118.289 120.8947 120.8153 119.9464 118.6365 121.4171 118.2738 121.921 119.8043 121.8371 122.0445 116.1182 114.62 125.099 120.2199 124.3875 114.1199 121.4914 118.2842 120.7886 120.926 114.6618 125.0727 120.2007 119.8916 120.547 119.5428 121.7826 116.0677 122.1495 118.3467 121.8571 119.7953 110.8848 112.2578 110.9153 107.6636 107.2319 107.6725 112.1172 111.2861 110.7198 107.6859 107.5093 107.3059 118.2181 118.2182 123.5638 124.5168 120.1649 115.318 126.9159 124.4999 120.1893 115.3106 126.9367 112.506 108.9298 109.2588 109.2555 109.5023 107.247 109.2494 112.512 108.9356 109.4983 107.2427 109.2612 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A76 A77 A78 7 13 7 1 1 1 31 33 31 33 31 33 -1 -1 -2 185.5525 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 185.6344 182.1377 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 13 13 33 33 7 7 31 31 13 33 7 31 7 7 11 11 3 3 11 11 3 3 7 7 2 2 8 8 3 3 20 20 3 3 3 5 5 5 4 4 9 9 5 5 10 10 2 2 13 13 2 2 12 12 11 11 15 15 1 1 11 11 12 12 24 24 12 12 12 17 17 17 13 13 18 18 29 29 32 32 29 29 30 30 28 34 28 28 28 31 31 31 28 38 28 28 28 33 33 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 4 4 4 4 4 4 4 4 4 4 5 5 5 5 6 6 6 6 11 11 11 11 11 11 11 11 12 12 12 12 13 13 13 13 14 14 14 14 14 14 14 14 14 14 16 16 16 16 28 28 28 28 28 28 28 28 30 30 30 30 30 30 30 30 32 32 32 32 32 32 32 7 7 7 7 13 13 13 13 31 31 33 33 3 3 3 3 7 7 7 7 11 11 11 11 4 4 4 4 5 5 5 5 20 20 20 20 20 20 6 6 6 6 7 7 7 7 12 12 12 12 13 13 13 13 14 14 14 14 16 16 16 16 17 17 17 17 24 24 24 24 24 24 17 17 17 17 30 30 30 30 32 32 32 32 31 31 34 34 34 34 34 34 33 33 38 38 38 38 38 2 6 2 6 11 16 11 16 30 30 32 32 4 8 4 8 1 6 1 6 12 13 12 13 5 20 5 20 6 9 6 9 21 22 23 21 22 23 7 10 7 10 1 2 1 2 14 15 14 15 1 16 1 16 17 24 17 24 17 18 17 18 16 19 16 19 25 26 27 25 26 27 14 19 14 19 31 34 31 34 33 38 33 38 1 1 35 36 37 35 36 37 1 1 39 40 41 39 40 -1.0547 -178.2025 -178.6644 4.1878 -1.0657 -178.1294 -178.7011 4.2352 -177.2805 0.5568 -177.6183 0.2439 -0.0996 179.5328 -179.7973 -0.1649 -176.9369 0.3627 2.7904 -179.91 -4.3598 176.0353 175.9226 -3.6823 -0.2827 179.6084 -179.9154 -0.0243 0.3985 -179.9525 -179.4895 0.1595 -59.5515 179.9795 59.4777 120.3379 -0.1311 -120.6329 -0.1407 179.7022 -179.7973 0.0456 176.7595 -0.2397 -3.0922 179.9086 -179.6118 0.0006 -0.0348 179.5777 2.8031 -179.9773 -176.8145 0.4051 -0.4205 178.0047 179.9676 -1.6072 176.5965 -3.2559 -0.3158 179.8318 0.5051 -179.8488 -177.9359 1.7102 14.078 134.7602 -105.9845 -167.4914 -46.8092 72.4461 -0.1392 -179.7928 179.7042 0.0506 -179.5699 0.6293 0.4053 -179.3955 -179.5656 0.6271 0.4592 -179.3481 -0.9078 178.9017 -2.169 119.1283 -124.0093 178.0125 -60.6902 56.1722 -0.7179 179.0979 -123.9165 -2.0841 119.2282 56.2591 178.0916 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 def2SVP (5D, 7F) 0.10000e-02 0.10000e-05 F 41 41 41 1.00e+00 60 F IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX= 1.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=121 Grimme-D2 -0.0299294572 PCM SMD-Coulomb. Total charges None Matrix inversion Acetonitrile 35.688000 1.806874 0.000000 2.801898 0.000000 4.137366 1.387850 0.000000 4.704490 2.388432 1.394364 0.000000 4.234070 2.745097 2.409043 1.388109 0.000000 2.933057 2.324407 2.743408 2.386087 1.391596 0.000000 1.957229 1.349046 2.387213 2.753246 2.380376 1.331963 0.000000 4.954017 2.160754 1.090317 2.165792 3.402426 3.833537 3.373884 0.000000 5.084115 3.833888 3.409704 2.170951 1.089464 2.151880 3.355689 4.322696 0.000000 3.003478 3.287688 3.833063 3.393711 2.176703 1.091037 2.060091 4.922745 2.512066 0.000000 2.800844 1.479325 2.538177 3.784409 4.219425 3.624173 2.373570 2.800665 5.306309 4.431819 0.000000 4.139275 2.538844 3.052729 4.441132 5.195215 4.846021 3.684396 2.782028 6.276481 5.737801 1.390567 0.000000 1.957520 2.372672 3.681410 4.752357 4.854319 3.906879 2.580204 4.109282 5.892542 4.434382 1.346533 2.388105 0.000000 4.705352 3.782019 4.437513 5.821031 6.505213 6.009669 4.752609 4.141475 7.593264 6.802897 2.387555 1.390697 2.753993 0.000000 4.953155 2.798156 2.780237 4.143221 5.140817 5.085964 4.109267 2.147205 6.176834 6.081766 2.161141 1.089180 3.372366 2.162701 0.000000 2.935107 3.625509 4.845410 6.012141 6.184482 5.230956 3.909314 5.088002 7.226559 5.697428 2.324183 2.744415 1.334486 2.387797 3.833365 0.000000 4.232862 4.217863 5.192818 6.506042 6.939799 6.181583 4.853923 5.141440 8.019687 6.796117 2.743346 2.408470 2.379438 1.391885 3.402278 1.388755 0.000000 3.004681 4.432575 5.736414 6.804199 6.798234 5.696437 4.435663 6.083231 7.789514 5.977147 3.286633 3.833962 2.061695 3.396251 4.922416 1.090967 2.175155 0.000000 5.084329 5.305887 6.275034 7.595128 8.020876 7.224903 5.893401 6.178128 9.097790 7.788702 3.833213 3.409339 3.356310 2.174590 4.323007 2.150103 1.090516 2.511275 0.000000 6.214763 3.770040 2.500843 1.512695 2.530648 3.791360 4.265687 2.706297 2.776932 4.701093 5.038828 5.414088 6.135646 6.799477 4.849634 7.338438 7.668001 8.196687 8.740881 0.000000 6.760098 4.223863 2.927055 2.348030 3.436829 4.581007 4.891538 2.814751 3.726447 5.515677 5.317579 5.503104 6.473500 6.835710 4.838278 7.591884 7.790893 8.494234 8.830275 1.335786 0.000000 6.880576 4.751544 3.638626 2.363242 2.740810 4.131731 4.941266 4.007984 2.434686 4.820192 6.131590 6.650204 7.111141 8.040615 6.149626 8.374944 8.828134 9.156744 9.912434 1.330963 2.152836 0.000000 6.799932 4.228282 2.926990 2.348405 3.439072 4.587918 4.900109 2.813845 3.728351 5.524480 5.323099 5.472900 6.508967 6.814071 4.767063 7.626506 7.801289 8.545466 8.842414 1.335720 2.150720 2.152905 0.000000 6.216868 5.060526 5.445994 6.835377 7.696118 7.357061 6.153027 4.889601 8.768930 8.212033 3.786010 2.522650 4.266868 1.513391 2.744729 3.777522 2.510973 4.681578 2.741809 7.592186 7.495163 8.894290 7.434659 0.000000 6.819117 5.132753 5.171471 6.505925 7.550312 7.452420 6.378682 4.395687 8.579394 8.408569 4.125386 2.738421 4.938439 2.363164 2.416633 4.745351 3.634084 5.741801 4.023456 7.018924 6.783996 8.347793 6.773566 1.332535 0.000000 6.861815 5.993123 6.452212 7.838722 8.658572 8.249975 7.011271 5.920152 9.735161 9.056973 4.656755 3.519982 4.920394 2.352813 3.832113 4.194277 2.855644 4.927742 2.680134 8.612563 8.388517 9.910160 8.560128 1.334007 2.152973 0.000000 6.769081 5.754037 6.157799 7.518145 8.351588 7.988122 6.788570 5.620554 9.413422 8.810659 4.496153 3.327495 4.878645 2.346543 3.531571 4.295378 3.042520 5.095088 3.052960 8.264395 8.314089 9.550976 7.936492 1.336089 2.152226 2.150607 0.000000 3.221570 5.969969 7.229933 7.504194 6.627660 5.247801 4.866969 8.128922 7.130677 4.620962 5.969087 7.232153 4.868426 7.506829 8.128322 5.250732 6.627856 4.623942 7.132466 8.988600 9.614374 9.361854 9.671534 8.981058 9.789433 9.414626 9.401597 0.000000 4.311192 7.052487 8.298196 8.518930 7.577450 6.216306 5.924633 9.210120 8.000026 5.497514 7.051602 8.300404 5.926157 8.521775 9.209522 6.219192 7.577788 5.500527 8.001966 9.987855 10.627538 10.294396 10.688001 9.978207 10.826611 10.362737 10.367364 1.089622 0.000000 2.841150 5.618996 6.972602 7.501705 6.852767 5.470330 4.755792 7.744892 7.532974 5.101319 5.283675 6.414220 4.031888 6.479223 7.398015 4.128122 5.463751 3.359559 5.859900 9.012847 9.544058 9.574398 9.619307 7.903984 8.815565 8.240174 8.305872 1.403459 2.145486 0.000000 1.888385 4.520625 5.899553 6.574871 6.105955 4.773239 3.840434 6.598313 6.910802 4.645432 4.046308 5.146114 2.768663 5.226310 6.140014 2.905574 4.271882 2.274932 4.777502 8.079880 8.557764 8.764471 8.633994 6.670773 7.552375 7.056537 7.119833 2.369199 3.317064 1.272548 0.000000 2.841306 5.284230 6.411531 6.475490 5.462942 4.125081 4.029952 7.397763 5.857607 3.356451 5.617849 6.974330 4.756617 7.503014 7.743496 5.473060 6.852251 5.103963 7.534103 7.915035 8.613268 8.165705 8.644436 9.011360 9.658832 9.587249 9.482866 1.403386 2.145422 2.473262 2.902956 0.000000 1.888307 4.046572 5.143155 5.222551 4.271197 2.902408 2.766488 6.139384 4.775488 2.272046 4.519166 5.900848 3.840497 6.575145 6.596471 4.775414 6.104713 4.647293 6.911161 6.679541 7.380651 7.001555 7.396667 8.082499 8.623595 8.747939 8.598495 2.368931 3.316869 2.902599 2.752186 1.272527 0.000000 4.184125 6.866333 8.245329 8.884827 8.310234 6.937049 6.137034 8.930064 9.019462 6.600352 6.302240 7.262981 4.971522 7.059071 8.310534 4.679148 5.853332 3.683983 5.979378 10.394279 10.870853 11.015218 10.961717 8.363023 9.413082 8.517592 8.684188 2.517404 2.693829 1.500443 2.346012 3.832555 4.397935 0.000000 5.007897 7.765989 9.129521 9.669095 8.981533 7.593289 6.926063 9.869707 9.604467 7.124020 7.307373 8.317923 5.993888 8.150380 9.353197 5.767270 6.949724 4.780088 7.059378 11.179169 11.691874 11.712636 11.786800 9.459226 10.505586 9.605057 9.765463 2.633391 2.344178 2.171059 3.279043 4.036627 4.861924 1.096598 0.000000 4.459698 7.006550 8.391802 9.122540 8.638200 7.285787 6.393089 9.009174 9.399938 7.033118 6.306844 7.151432 4.976838 6.821292 8.213912 4.509483 5.566261 3.481834 5.583842 10.624749 11.146338 11.312447 11.067500 8.044102 9.166470 8.221565 8.206522 3.218134 3.439156 2.129795 2.646535 4.446390 4.891422 1.101206 1.792109 0.000000 4.452605 6.977416 8.344599 9.065918 8.588109 7.252393 6.371576 8.957879 9.344533 7.007903 6.296196 7.157143 4.968950 6.847434 8.217458 4.527159 5.600238 3.507623 5.635820 10.554900 10.901382 11.238428 11.166339 8.091275 9.152636 8.088773 8.515037 3.249723 3.482200 2.133597 2.620879 4.477386 4.912909 1.100667 1.794405 1.772809 0.000000 4.184115 6.302122 7.259540 7.053594 5.851141 4.675792 4.968837 8.309123 5.975754 3.680440 6.864735 8.246393 6.137377 8.885280 8.927743 6.939556 8.309327 6.602938 9.020309 8.379990 9.149783 8.395584 9.164364 10.394564 10.967456 11.016062 10.866372 2.517655 2.694269 3.832787 4.398333 1.500450 2.345906 5.029078 4.975202 5.678333 5.715849 0.000000 4.451749 6.293786 7.150886 6.838431 5.595128 4.522143 4.964496 8.212924 5.629416 3.503486 6.973703 8.342871 6.370090 9.063108 8.952575 7.253143 8.584754 7.009338 9.342974 8.102736 9.000575 8.041056 8.792609 10.551469 11.072102 11.285981 10.940677 3.249298 3.481718 4.477181 4.913126 2.133499 2.621189 5.715344 5.709783 6.212599 6.489783 1.100688 0.000000 5.008084 7.307507 8.314670 8.145071 6.947575 5.763957 5.991422 9.352114 7.055663 4.776559 7.764673 9.130986 6.926945 9.670363 9.867809 7.596240 8.981248 7.127182 9.605984 9.476358 10.235885 9.480894 10.255321 11.176640 11.825898 11.736515 11.615145 2.633929 2.344963 4.037241 4.862638 2.171137 3.279030 4.975543 4.683439 5.657864 5.710566 1.096597 1.794377 0.000000 4.460200 6.308195 7.150080 6.817954 5.565893 4.507702 4.975282 8.214359 5.582121 3.478961 7.006453 8.394681 6.394320 9.124737 9.008696 7.289353 8.638823 7.036143 9.402278 8.070365 8.756987 7.993366 8.977575 10.633090 11.112818 11.232357 11.217872 3.218984 3.440583 4.446871 4.891714 2.129869 2.645848 5.678774 5.657995 6.431753 6.213675 1.101198 1.772771 1.792165 0.000000 0.1433855 0.1229557 0.0678794 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 496 496 496 496 496 MxSgAt= 41 MxSgA2= 41. 1 open 1 1 1 -2895.72293660870 -2895.72293661 1 0.7539 2.880803869843e+03 -1.322740415792e+04 4.245550372033e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 7527202816 LenX= 7526677738 LenY= 7526421196 Requested convergence on RMS density matrix=1.00D-08 within 32 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. 0.7539 Using compressed storage, NAtomX= 41. Will process 42 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: UHF open shell wavefunction. IDoAtm=11111111111111111111111111111111111111111 NEqPCM: Using equilibrium solvation (IEInf=0, Eps= 35.6880, EpsInf= 1.8069) Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. 12653 words used for storage of precomputed grid. Two-electron integral symmetry not used. MDV= 7527202816 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=T KAlg= 0 I1Cent= 0 FoldK=F IRaf= 1 NMat= 123 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=3 IntGTp=3. There are 126 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 123 vectors produced by pass 0 Test12= 8.13D-14 1.00D-09 XBig12= 3.09D+02 6.48D+00. AX will form 123 AO Fock derivatives at one time. 123 vectors produced by pass 1 Test12= 8.13D-14 1.00D-09 XBig12= 2.51D+01 1.39D+00. 123 vectors produced by pass 2 Test12= 8.13D-14 1.00D-09 XBig12= 5.73D-01 1.25D-01. 123 vectors produced by pass 3 Test12= 8.13D-14 1.00D-09 XBig12= 1.02D-02 1.97D-02. 123 vectors produced by pass 4 Test12= 8.13D-14 1.00D-09 XBig12= 2.42D-04 4.19D-03. 123 vectors produced by pass 5 Test12= 8.13D-14 1.00D-09 XBig12= 3.13D-06 2.99D-04. 123 vectors produced by pass 6 Test12= 8.13D-14 1.00D-09 XBig12= 3.07D-08 2.15D-05. 98 vectors produced by pass 7 Test12= 8.13D-14 1.00D-09 XBig12= 3.24D-10 1.89D-06. 38 vectors produced by pass 8 Test12= 8.13D-14 1.00D-09 XBig12= 2.64D-12 1.54D-07. 3 vectors produced by pass 9 Test12= 8.13D-14 1.00D-09 XBig12= 2.94D-14 2.11D-08. 2 vectors produced by pass 10 Test12= 8.13D-14 1.00D-09 XBig12= 3.26D-16 1.64D-09. InvSVY: IOpt=1 It= 1 EMax= 7.11D-15 Solved reduced A of dimension 1002 with 126 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 306.81 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 364.234 0.101 408.221 -0.187 6.186 147.977 275.644 0.053 301.676 -0.222 4.395 138.976 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 Co C C C C C N H H H C C N C H C C H H C F F F C F F F C H C O C O C H H H C H H H 59 13 13 13 13 13 14 1 1 1 13 13 14 13 1 13 13 1 1 13 19 19 19 13 19 19 19 13 1 13 17 13 17 13 1 1 1 13 1 1 1 0.46489 -0.00002 0.00014 -0.00041 -0.00020 -0.00086 -0.01589 -0.00005 -0.00003 -0.00005 -0.00006 0.00015 -0.01587 -0.00041 -0.00005 -0.00084 -0.00020 -0.00005 -0.00003 0.00014 -0.00011 -0.00000 -0.00011 0.00014 -0.00001 -0.00006 -0.00012 0.00134 0.00004 -0.00021 -0.00693 -0.00021 -0.00693 -0.00116 -0.00004 -0.00002 -0.00001 -0.00116 -0.00001 -0.00004 -0.00002 491.81391 -0.02515 0.15578 -0.45795 -0.22886 -0.96228 -5.13559 -0.24314 -0.13341 -0.24034 -0.06572 0.16589 -5.12804 -0.46307 -0.24463 -0.94292 -0.22800 -0.24124 -0.13415 0.15177 -0.44955 -0.00057 -0.45025 0.15342 -0.02532 -0.24679 -0.50803 1.50973 0.18632 -0.23256 4.19826 -0.23103 4.20157 -1.30822 -0.19816 -0.08787 -0.04386 -1.30965 -0.04434 -0.19827 -0.08697 175.49143 -0.00897 0.05559 -0.16341 -0.08166 -0.34336 -1.83251 -0.08676 -0.04760 -0.08576 -0.02345 0.05920 -1.82981 -0.16524 -0.08729 -0.33646 -0.08136 -0.08608 -0.04787 0.05415 -0.16041 -0.00020 -0.16066 0.05474 -0.00903 -0.08806 -0.18128 0.53871 0.06648 -0.08298 1.49804 -0.08244 1.49922 -0.46681 -0.07071 -0.03135 -0.01565 -0.46732 -0.01582 -0.07075 -0.03103 164.05146 -0.00839 0.05196 -0.15275 -0.07634 -0.32098 -1.71305 -0.08110 -0.04450 -0.08017 -0.02192 0.05534 -1.71053 -0.15446 -0.08160 -0.31453 -0.07605 -0.08047 -0.04475 0.05062 -0.14995 -0.00019 -0.15019 0.05117 -0.00845 -0.08232 -0.16946 0.50359 0.06215 -0.07758 1.40039 -0.07706 1.40149 -0.43638 -0.06610 -0.02931 -0.01463 -0.43685 -0.01479 -0.06613 -0.02901 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 -1.421102 0.011890 0.002333 0.002533 -0.000954 -0.000530 -0.000779 0.002223 -0.000510 -0.005565 0.011981 0.002314 -0.000778 0.002535 0.002223 -0.000609 -0.000974 -0.005550 -0.000515 0.000552 0.000100 0.000208 0.000072 0.000546 0.000626 0.000350 0.000332 0.009276 0.003542 0.008561 0.018703 0.008540 0.018744 0.001608 0.001403 0.000774 0.000725 0.001603 0.000711 0.001397 0.000772 -1.533605 -0.004026 -0.001869 0.001561 0.001218 0.008459 0.002944 -0.001124 0.001519 0.010373 -0.003921 -0.001870 0.002924 0.001572 -0.001124 0.008372 0.001197 0.010354 0.001526 0.000076 0.000127 0.000305 0.000133 0.000083 -0.000103 -0.000075 -0.000086 -0.006156 -0.001888 -0.001261 -0.024050 -0.001243 -0.024114 -0.000487 -0.000388 0.000718 0.000614 -0.000483 0.000621 -0.000384 0.000723 2.954707 -0.007864 -0.000464 -0.004094 -0.000265 -0.007929 -0.002166 -0.001099 -0.001009 -0.004808 -0.008060 -0.000444 -0.002146 -0.004107 -0.001099 -0.007763 -0.000222 -0.004804 -0.001011 -0.000628 -0.000227 -0.000514 -0.000205 -0.000630 -0.000523 -0.000274 -0.000245 -0.003120 -0.001654 -0.007300 0.005347 -0.007297 0.005370 -0.001122 -0.001015 -0.001492 -0.001339 -0.001120 -0.001332 -0.001014 -0.001495 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 -0.000879 0.005900 0.001796 0.001978 0.002143 0.006595 0.011218 0.000733 0.001318 0.001797 -0.005908 -0.001786 -0.011225 -0.001973 -0.000734 -0.006578 -0.002158 -0.001784 -0.001318 0.000863 0.000476 0.000685 0.000464 -0.000864 -0.000597 -0.000518 -0.000335 -0.000011 -0.000003 0.006763 0.002949 -0.006771 -0.003015 0.001652 0.001441 0.002368 0.002288 -0.001653 -0.002287 -0.001443 -0.002368 0.005294 0.000137 0.000070 -0.000183 0.000098 0.000102 0.001476 -0.000049 0.000020 0.000066 -0.000170 -0.000075 -0.001519 0.000226 0.000045 -0.000116 -0.000103 -0.000064 -0.000019 -0.000013 -0.000055 -0.000015 0.000072 0.000022 -0.000106 -0.000106 0.000028 -0.000025 -0.000014 0.000375 -0.000536 -0.000451 0.000498 0.000142 0.000124 -0.000450 0.000793 -0.000152 -0.000803 -0.000136 0.000438 -0.326509 -0.000079 -0.000019 0.000016 0.000030 0.000598 0.000925 -0.000012 0.000027 0.000557 -0.000067 -0.000005 0.000974 -0.000026 -0.000010 0.000600 0.000035 0.000560 0.000027 -0.000009 -0.000082 -0.000007 0.000069 -0.000016 0.000002 0.000134 0.000040 -0.000087 -0.000017 0.000480 -0.004484 0.000500 -0.004509 0.000069 0.000058 -0.000330 0.000648 0.000073 0.000661 0.000066 -0.000318 0.0036 0.9974 0.0722 1.0 -0.0035 -0.0015 0.0012 -0.0722 0.9974 -1.5572 -1.4211 2.9783 -196.646 -179.456 376.102 -70.168 -64.034 134.203 -65.594 -59.86 125.454 1 Co 59 -0.0241 0.0574 0.9981 -0.3127 0.9478 -0.0621 0.9495 0.3136 0.0049 -0.0079 -0.006 0.0138 -1.056 -0.801 1.857 -0.377 -0.286 0.663 -0.352 -0.267 0.619 2 C 13 -0.3464 0.9379 0.0204 -0.0089 -0.025 0.9996 0.938 0.3461 0.017 -0.0025 -5.0E-4 0.003 -0.34 -0.062 0.402 -0.121 -0.022 0.143 -0.113 -0.021 0.134 3 C 13 0.0317 -0.0139 0.9994 -0.6159 0.7873 0.0305 0.7872 0.6165 -0.0164 -0.0041 0.0 0.0041 -0.55 0.002 0.548 -0.196 0.001 0.196 -0.184 0.001 0.183 4 C 13 0.8519 -0.5227 -0.0337 0.0143 -0.041 0.9991 0.5236 0.8515 0.0275 -0.0023 -3.0E-4 0.0025 -0.305 -0.035 0.34 -0.109 -0.013 0.121 -0.102 -0.012 0.114 5 C 13 0.0289 -0.048 0.9984 0.8839 -0.4653 -0.0479 0.4668 0.8839 0.029 -0.008 -0.004 0.012 -1.067 -0.538 1.605 -0.381 -0.192 0.573 -0.356 -0.179 0.535 6 C 13 0.7642 -0.6416 -0.0655 -0.022 -0.1275 0.9916 0.6446 0.7564 0.1115 -0.0103 -0.0023 0.0126 -0.398 -0.089 0.488 -0.142 -0.032 0.174 -0.133 -0.03 0.163 7 N 14 -0.2047 0.9788 0.0075 0.0158 -0.0043 0.9999 0.9787 0.2048 -0.0146 -0.0013 -0.0011 0.0024 -0.682 -0.587 1.268 -0.243 -0.209 0.453 -0.227 -0.196 0.423 8 H 1 0.8967 -0.4409 -0.0381 0.0296 -0.0263 0.9992 0.4416 0.8972 0.0105 -0.0012 -0.001 0.0022 -0.619 -0.538 1.157 -0.221 -0.192 0.413 -0.206 -0.18 0.386 9 H 1 0.9939 -0.1105 -0.0045 4.0E-4 -0.0367 0.9993 0.1106 0.9932 0.0364 -0.0058 -0.0048 0.0106 -3.076 -2.576 5.652 -1.098 -0.919 2.017 -1.026 -0.859 1.885 10 H 1 0.0227 0.0485 0.9986 0.3133 0.9482 -0.0532 0.9494 -0.3141 -0.0064 -0.0081 -0.0059 0.0139 -1.082 -0.788 1.87 -0.386 -0.281 0.667 -0.361 -0.263 0.624 11 C 13 0.3462 0.9381 0.0149 0.0136 -0.0209 0.9997 0.9381 -0.3458 -0.02 -0.0025 -4.0E-4 0.003 -0.339 -0.06 0.399 -0.121 -0.021 0.142 -0.113 -0.02 0.133 12 C 13 0.764 0.6419 0.0653 0.025 -0.1307 0.9911 -0.6447 0.7556 0.1159 -0.0103 -0.0023 0.0127 -0.399 -0.089 0.488 -0.142 -0.032 0.174 -0.133 -0.03 0.163 13 N 14 -0.0364 -0.0081 0.9993 0.6162 0.787 0.0288 0.7867 -0.6169 0.0237 -0.0041 0.0 0.0041 -0.552 0.003 0.549 -0.197 0.001 0.196 -0.184 0.001 0.183 14 C 13 0.205 0.9787 0.0059 -0.0141 -0.0031 0.9999 0.9786 -0.2051 0.0132 -0.0013 -0.0011 0.0024 -0.682 -0.587 1.268 -0.243 -0.209 0.453 -0.227 -0.196 0.423 15 H 1 -0.0284 -0.0486 0.9984 0.8841 0.4649 0.0478 -0.4665 0.884 0.0298 -0.0078 -0.0041 0.0119 -1.045 -0.547 1.592 -0.373 -0.195 0.568 -0.349 -0.182 0.531 16 C 13 0.8511 0.5239 0.0331 -0.0121 -0.0434 0.999 -0.5248 0.8506 0.0306 -0.0023 -2.0E-4 0.0025 -0.31 -0.03 0.339 -0.11 -0.011 0.121 -0.103 -0.01 0.113 17 C 13 0.9939 0.1101 0.0019 0.0021 -0.0366 0.9993 -0.1101 0.9932 0.0366 -0.0057 -0.0048 0.0106 -3.067 -2.574 5.641 -1.094 -0.918 2.013 -1.023 -0.859 1.882 18 H 1 0.8974 0.4396 0.0365 -0.0283 -0.0251 0.9993 -0.4402 0.8978 0.0101 -0.0012 -0.001 0.0022 -0.62 -0.539 1.159 -0.221 -0.192 0.414 -0.207 -0.18 0.387 19 H 1 0.0116 -0.0014 0.9999 -0.6057 0.7956 0.0082 0.7956 0.6058 -0.0084 -6.0E-4 -6.0E-4 0.0012 -0.084 -0.078 0.162 -0.03 -0.028 0.058 -0.028 -0.026 0.054 20 C 13 -0.7005 0.7005 0.1364 0.1795 -0.0121 0.9837 0.6907 0.7135 -0.1172 -4.0E-4 -2.0E-4 6.0E-4 -0.183 -0.119 0.302 -0.065 -0.042 0.108 -0.061 -0.04 0.101 21 F 19 0.0577 -0.0397 0.9975 0.7294 -0.6805 -0.0693 0.6816 0.7316 -0.0103 -5.0E-4 -4.0E-4 9.0E-4 -0.258 -0.216 0.474 -0.092 -0.077 0.169 -0.086 -0.072 0.158 22 F 19 0.7323 -0.6801 -0.0354 -0.0602 -0.1164 0.9914 0.6783 0.7238 0.1262 -4.0E-4 -2.0E-4 6.0E-4 -0.182 -0.109 0.291 -0.065 -0.039 0.104 -0.061 -0.036 0.097 23 F 19 -0.0242 -0.0075 0.9997 0.6084 0.7934 0.0206 0.7933 -0.6087 0.0146 -6.0E-4 -6.0E-4 0.0012 -0.085 -0.078 0.162 -0.03 -0.028 0.058 -0.028 -0.026 0.054 24 C 13 0.2479 0.3265 0.9121 0.4229 0.8106 -0.4051 0.8716 -0.4861 -0.0628 -6.0E-4 -4.0E-4 0.001 -0.277 -0.209 0.486 -0.099 -0.074 0.173 -0.092 -0.07 0.162 25 F 19 0.4821 0.8064 -0.3425 0.3204 0.2016 0.9256 0.8154 -0.5559 -0.1612 -4.0E-4 -3.0E-4 7.0E-4 -0.222 -0.141 0.363 -0.079 -0.05 0.13 -0.074 -0.047 0.121 26 F 19 0.3896 0.6945 -0.6049 0.2885 0.5317 0.7963 0.8746 -0.4848 0.0068 -3.0E-4 -2.0E-4 5.0E-4 -0.155 -0.105 0.26 -0.055 -0.037 0.093 -0.052 -0.035 0.087 27 F 19 7.0E-4 0.9996 0.0287 0.002 -0.0287 0.9996 1.0 -7.0E-4 -0.002 -0.0062 -0.0031 0.0093 -0.826 -0.418 1.245 -0.295 -0.149 0.444 -0.276 -0.14 0.415 28 C 13 8.0E-4 0.9975 0.0704 0.0026 -0.0704 0.9975 1.0 -6.0E-4 -0.0027 -0.0019 -0.0017 0.0035 -1.008 -0.882 1.89 -0.36 -0.315 0.674 -0.336 -0.294 0.63 29 H 1 0.0188 -0.0995 0.9949 -0.4548 0.8853 0.0971 0.8904 0.4543 0.0286 -0.0073 -0.0047 0.012 -0.985 -0.628 1.613 -0.352 -0.224 0.576 -0.329 -0.21 0.538 30 C 13 -0.065 0.9873 0.1452 0.0739 -0.1403 0.9873 0.9951 0.0749 -0.0639 -0.0249 0.0059 0.019 1.802 -0.43 -1.372 0.643 -0.153 -0.49 0.601 -0.143 -0.458 31 O 17 -0.0124 -0.0954 0.9954 0.4563 0.8852 0.0906 0.8897 -0.4553 -0.0325 -0.0073 -0.0047 0.012 -0.985 -0.628 1.613 -0.351 -0.224 0.576 -0.329 -0.21 0.538 32 C 13 0.0664 0.9871 0.1456 -0.0718 -0.1408 0.9874 0.9952 -0.076 0.0615 -0.025 0.006 0.019 1.808 -0.432 -1.375 0.645 -0.154 -0.491 0.603 -0.144 -0.459 33 O 17 -0.4827 0.8753 0.0303 -0.0232 -0.0474 0.9986 0.8755 0.4813 0.0432 -0.0014 -0.0011 0.0025 -0.187 -0.151 0.339 -0.067 -0.054 0.121 -0.062 -0.051 0.113 34 C 13 -0.4871 0.8717 0.0542 -0.0106 -0.0679 0.9976 0.8733 0.4854 0.0423 -0.0012 -0.001 0.0022 -0.634 -0.544 1.179 -0.226 -0.194 0.421 -0.212 -0.182 0.393 35 H 1 0.6277 -0.5439 0.5569 -0.324 0.4679 0.8222 0.7078 0.6966 -0.1174 -0.0017 -0.0015 0.0032 -0.895 -0.801 1.696 -0.319 -0.286 0.605 -0.299 -0.267 0.566 36 H 1 0.6502 -0.4812 -0.5879 0.2931 -0.5551 0.7784 0.7009 0.6785 0.2199 -0.0017 -0.0015 0.0032 -0.9 -0.802 1.701 -0.321 -0.286 0.607 -0.3 -0.267 0.567 37 H 1 0.4838 0.8745 0.0342 0.024 -0.0524 0.9983 0.8748 -0.4822 -0.0463 -0.0014 -0.0011 0.0025 -0.187 -0.151 0.338 -0.067 -0.054 0.121 -0.062 -0.05 0.113 38 C 13 0.6536 0.4798 0.5853 -0.2905 -0.5551 0.7795 0.6989 -0.6795 -0.2234 -0.0017 -0.0015 0.0032 -0.9 -0.802 1.703 -0.321 -0.286 0.608 -0.3 -0.268 0.568 39 H 1 0.4886 0.871 0.052 0.0154 -0.0682 0.9976 0.8724 -0.4866 -0.0467 -0.0012 -0.001 0.0022 -0.634 -0.544 1.179 -0.226 -0.194 0.421 -0.212 -0.182 0.393 40 H 1 (Enter /usr/local/CompChem/Gaussian/g16/l716.exe) PT16349.900S 2024-10-31T12:58:46.000 -24.86607 -24.86601 -24.86295 -24.86206 -24.86193 -24.86121 -19.27068 -19.27066 -14.51779 -14.51774 -10.56565 -10.56550 -10.39065 -10.39025 -10.39005 -10.38996 -10.37316 -10.37250 -10.36548 -10.36542 -10.35017 -10.34994 -10.34459 -10.34439 -10.29553 -10.29551 -10.28174 -3.86503 -2.54226 -2.54057 -2.53945 -1.42602 -1.42597 -1.33082 -1.33074 -1.32711 -1.32695 -1.14659 -1.12967 -1.11360 -1.08548 -0.96278 -0.95594 -0.93398 -0.87889 -0.87756 -0.83930 -0.83921 -0.82946 -0.79635 -0.79497 -0.76994 -0.75362 -0.75050 -0.71203 -0.70660 -0.70398 -0.70387 -0.70220 -0.67571 -0.66346 -0.64921 -0.63738 -0.61206 -0.60728 -0.60386 -0.59624 -0.59338 -0.57902 -0.57811 -0.57683 -0.57562 -0.57256 -0.56749 -0.56012 -0.55610 -0.54515 -0.54315 -0.53784 -0.53251 -0.53084 -0.52650 -0.52020 -0.51548 -0.51497 -0.51474 -0.51061 -0.49997 -0.49526 -0.48881 -0.48650 -0.48208 -0.46667 -0.46196 -0.45750 -0.45134 -0.44121 -0.42728 -0.41561 -0.41266 -0.40978 -0.38241 -0.36949 -0.36497 -0.36460 -0.35699 -0.34809 -0.31314 -0.04095 -0.00180 0.00283 0.01980 0.02449 0.05983 0.09062 0.14699 0.15532 0.15721 0.15858 0.15903 0.17923 0.18487 0.19065 0.20619 0.21024 0.21149 0.22350 0.22599 0.23478 0.23656 0.23691 0.24159 0.24381 0.25486 0.26166 0.26917 0.27974 0.28415 0.28482 0.28630 0.28871 0.30803 0.31294 0.31603 0.31888 0.32607 0.34254 0.34343 0.34871 0.35578 0.37237 0.38394 0.39550 0.40071 0.41268 0.42433 0.43238 0.44346 0.45773 0.45979 0.46371 0.46631 0.47888 0.48868 0.49182 0.50105 0.50814 0.50975 0.51165 0.51306 0.51678 0.52817 0.53949 0.54176 0.54303 0.54432 0.54656 0.55081 0.57102 0.57564 0.58460 0.59728 0.60937 0.62954 0.63932 0.64449 0.65486 0.66366 0.66440 0.66648 0.67166 0.67937 0.68732 0.69314 0.69556 0.70080 0.70424 0.70854 0.71478 0.71781 0.72338 0.72765 0.73164 0.73472 0.74078 0.74328 0.74908 0.75548 0.75842 0.76058 0.78171 0.78815 0.78887 0.79653 0.79937 0.80230 0.80824 0.81184 0.82175 0.83265 0.84156 0.85360 0.87181 0.88790 0.89063 0.90034 0.90815 0.92940 0.94268 0.94403 0.96270 0.97185 1.01295 1.04430 1.08432 1.09666 1.09961 1.11195 1.13296 1.15166 1.15542 1.16045 1.16304 1.16970 1.16996 1.17200 1.17642 1.19759 1.19930 1.20652 1.21200 1.22365 1.24522 1.25294 1.26011 1.26622 1.27163 1.27318 1.28423 1.29158 1.29776 1.30322 1.31053 1.31953 1.33859 1.35991 1.37305 1.38171 1.39130 1.39766 1.39997 1.40498 1.40677 1.43035 1.43316 1.43765 1.44412 1.44858 1.45330 1.48019 1.48584 1.51580 1.51815 1.51916 1.52857 1.53919 1.54173 1.56131 1.56298 1.56751 1.57367 1.61356 1.61730 1.64225 1.64753 1.66081 1.66440 1.67484 1.68322 1.68642 1.69474 1.69761 1.72156 1.73022 1.73307 1.73899 1.74921 1.76081 1.77552 1.78673 1.79383 1.79659 1.80645 1.82187 1.83201 1.84013 1.84122 1.84480 1.85549 1.85772 1.86651 1.87101 1.87995 1.88057 1.88539 1.89125 1.90332 1.91660 1.91673 1.94686 1.95204 1.95623 1.95696 1.96384 1.96643 1.97835 1.99584 1.99983 2.00971 2.01564 2.01639 2.03152 2.03829 2.04878 2.06350 2.07445 2.09653 2.09874 2.10288 2.10518 2.12507 2.13190 2.14192 2.15966 2.16054 2.16449 2.17140 2.17955 2.18123 2.20448 2.23688 2.25050 2.27152 2.28179 2.30328 2.32337 2.32805 2.33833 2.34570 2.35227 2.35489 2.36097 2.37186 2.42937 2.43180 2.43819 2.45593 2.46076 2.46383 2.47775 2.49743 2.50509 2.52501 2.53357 2.55633 2.57796 2.59026 2.60863 2.63939 2.64171 2.65570 2.67375 2.68710 2.70350 2.72844 2.74745 2.78195 2.78615 2.79519 2.81084 2.82585 2.82961 2.83152 2.83906 2.87859 2.88245 2.90685 2.91148 2.92767 2.96476 2.98258 2.98664 2.99153 2.99890 3.02635 3.04360 3.07355 3.07459 3.07657 3.10851 3.10889 3.11460 3.11577 3.11730 3.11902 3.12243 3.12308 3.12873 3.13329 3.13604 3.14407 3.14769 3.15332 3.15568 3.17506 3.18699 3.19495 3.21306 3.25032 3.25336 3.26321 3.31252 3.33708 3.47066 3.49442 3.50650 3.50846 3.51581 3.60339 3.61642 3.61861 3.67106 3.67873 3.69397 3.72536 3.74121 3.76020 3.77835 3.92046 3.92292 3.95886 3.96570 4.91792 4.93625 4.93725 4.94186 4.94832 5.01892 5.02837 -277.76799 -32.99916 -28.64373 -28.64327 -28.61934 -24.86607 -24.86601 -24.86296 -24.86206 -24.86194 -24.86122 -19.27098 -19.27096 -14.51801 -14.51797 -10.56565 -10.56550 -10.39068 -10.39028 -10.39007 -10.38998 -10.37320 -10.37254 -10.36551 -10.36545 -10.35016 -10.34993 -10.34459 -10.34438 -10.29556 -10.29553 -10.28174 -3.81735 -2.50522 -2.50392 -2.45667 -1.42602 -1.42597 -1.33082 -1.33074 -1.32712 -1.32696 -1.14712 -1.13029 -1.11385 -1.08574 -0.96287 -0.95604 -0.93410 -0.87900 -0.87764 -0.83945 -0.83926 -0.82951 -0.79639 -0.79505 -0.76999 -0.75370 -0.75059 -0.71206 -0.70661 -0.70399 -0.70388 -0.70221 -0.67578 -0.66352 -0.64775 -0.63731 -0.61244 -0.60752 -0.60354 -0.59599 -0.59338 -0.57903 -0.57809 -0.57681 -0.57556 -0.57259 -0.56749 -0.56011 -0.55614 -0.54512 -0.54315 -0.53784 -0.53251 -0.53085 -0.52632 -0.52035 -0.51565 -0.51497 -0.51486 -0.50907 -0.49972 -0.49479 -0.48848 -0.48652 -0.48180 -0.46648 -0.46136 -0.45206 -0.45012 -0.43953 -0.42643 -0.41509 -0.40961 -0.40741 -0.36937 -0.35108 -0.35040 -0.34912 -0.33651 -0.30956 -0.04062 -0.00180 0.00257 0.01947 0.02231 0.05464 0.05967 0.11208 0.14837 0.15530 0.15770 0.15861 0.16193 0.17947 0.18511 0.19108 0.20615 0.21023 0.21148 0.22353 0.23134 0.23477 0.23669 0.24004 0.24161 0.24378 0.25681 0.26373 0.26910 0.27978 0.28416 0.28498 0.28842 0.28950 0.30798 0.31398 0.31714 0.31966 0.32636 0.34256 0.34773 0.34862 0.35816 0.37245 0.38476 0.39544 0.40201 0.41264 0.42431 0.43251 0.44370 0.45785 0.45973 0.46376 0.46631 0.47924 0.48916 0.49177 0.50107 0.50814 0.51001 0.51155 0.51306 0.51678 0.52821 0.53975 0.54189 0.54332 0.54468 0.54670 0.55080 0.57098 0.57557 0.58457 0.59745 0.60935 0.62957 0.63944 0.64458 0.65477 0.66354 0.66449 0.66657 0.67194 0.67935 0.68751 0.69315 0.69553 0.70084 0.70413 0.70854 0.71474 0.71818 0.72346 0.72764 0.73167 0.73474 0.74076 0.74326 0.74906 0.75551 0.75839 0.76073 0.78171 0.78811 0.78879 0.79662 0.79935 0.80250 0.80841 0.81179 0.82194 0.83290 0.84162 0.85358 0.87193 0.88794 0.89128 0.90037 0.90838 0.92945 0.94426 0.94606 0.96378 0.97175 1.01314 1.04432 1.08452 1.09727 1.09995 1.11191 1.13398 1.15229 1.15556 1.16058 1.16347 1.16971 1.17036 1.17221 1.17648 1.19769 1.20015 1.20686 1.21221 1.22552 1.24526 1.25501 1.26553 1.27152 1.27417 1.28058 1.28447 1.29195 1.29890 1.30338 1.31376 1.32148 1.33852 1.36063 1.37490 1.38180 1.39129 1.39772 1.39998 1.40501 1.40723 1.43258 1.43323 1.43764 1.44478 1.44958 1.45432 1.48241 1.48721 1.51613 1.51848 1.52132 1.52872 1.54039 1.54409 1.56137 1.56304 1.56892 1.57726 1.61357 1.61730 1.64327 1.64768 1.66154 1.66463 1.67548 1.68367 1.68645 1.69483 1.69747 1.72479 1.73011 1.73345 1.73939 1.74938 1.76088 1.77583 1.78682 1.79388 1.79697 1.80656 1.82190 1.83194 1.84012 1.84121 1.84483 1.85551 1.85804 1.86702 1.87179 1.87994 1.88072 1.88548 1.89135 1.90324 1.91662 1.91818 1.94702 1.95202 1.95624 1.95695 1.96573 1.96739 1.97880 1.99584 2.00014 2.01044 2.01559 2.01636 2.03148 2.03864 2.04922 2.06441 2.07509 2.09678 2.09874 2.10291 2.10559 2.12511 2.13186 2.14212 2.15965 2.16051 2.16476 2.17139 2.17985 2.18119 2.20477 2.23697 2.25055 2.27150 2.28186 2.30315 2.32391 2.32820 2.33832 2.34604 2.35222 2.35492 2.36095 2.37191 2.42926 2.43179 2.43854 2.45625 2.46067 2.46373 2.47758 2.49737 2.50511 2.52507 2.53375 2.55631 2.57778 2.58999 2.60850 2.63929 2.64160 2.65573 2.67429 2.68681 2.70340 2.72835 2.74736 2.78190 2.78608 2.79474 2.81052 2.82565 2.82960 2.83139 2.83903 2.87878 2.88227 2.90756 2.91149 2.92756 2.96571 2.98254 2.98656 2.99151 2.99883 3.02626 3.04407 3.07355 3.07444 3.07657 3.10851 3.10889 3.11454 3.11577 3.11727 3.11897 3.12243 3.12307 3.12849 3.13328 3.13604 3.14407 3.14773 3.15372 3.15579 3.17498 3.18675 3.19495 3.21306 3.25031 3.25334 3.26294 3.31249 3.33696 3.47083 3.49438 3.50638 3.50838 3.51560 3.60328 3.61642 3.61858 3.67105 3.67872 3.69355 3.72533 3.74080 3.76020 3.77832 3.92045 3.92292 3.95886 3.96570 4.94461 4.95876 4.97882 4.98313 5.00354 5.06155 5.07100 2.32926210e+00 -8.20527641e-02 3.38341367e-02 3.64234072e+02 1.01343041e-01 4.08221299e+02 -1.86707576e-01 6.18613298e+00 1.47976564e+02 -8.9483 -0.0054 -0.0047 0.0017 5.9379 15.4247 21.6024 25.8393 33.0378 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 21.4488 23.8735 32.5376 40.8661 65.1758 70.8278 72.4887 76.1487 85.7416 101.1072 114.2614 157.8639 162.0103 165.3411 168.3874 174.5688 188.1363 194.2100 243.6140 257.9090 272.0687 276.0179 286.0682 322.2601 358.9951 362.1240 374.9552 377.0599 416.1318 418.1823 441.1773 447.2289 455.8194 488.3154 496.4904 521.7642 527.6708 556.2912 578.7631 598.8412 609.3026 652.5146 664.2854 682.7555 690.9462 703.6382 706.1851 710.9270 714.1062 772.8878 774.5982 803.7787 805.9315 826.3554 888.9838 894.9538 904.6318 937.2943 968.6702 981.7692 984.8946 1037.0212 1039.6935 1040.7393 1040.9856 1050.2305 1061.0411 1064.9440 1070.3333 1109.9538 1127.7002 1139.0098 1149.3997 1168.1883 1198.7698 1201.8390 1221.3697 1225.3271 1226.2076 1305.2780 1309.3649 1320.9526 1327.5725 1331.2919 1352.3541 1360.3049 1375.0534 1382.4671 1384.4807 1427.3959 1438.6803 1438.9746 1457.3961 1468.8058 1500.4610 1502.7537 1553.6868 1556.8915 1582.5667 1660.9869 1667.6101 1672.4128 1724.3002 1731.5865 3062.1556 3062.3263 3155.6336 3155.7440 3195.5489 3195.6548 3242.9309 3246.5788 3249.7281 3251.5124 3256.9819 3263.1810 3263.7804 18.8378 16.1975 6.6096 4.1360 6.3065 11.9991 5.9333 5.9488 5.5451 1.2141 1.0391 9.9400 7.3874 8.3120 3.3528 4.3571 8.4139 6.4208 11.2371 12.5540 3.2632 5.1775 9.2082 7.1770 7.6265 7.5564 11.3522 10.3523 7.5829 8.5707 3.1549 4.2504 8.4059 6.8190 4.3114 10.9766 7.9960 6.7245 2.7978 12.2647 8.5130 6.6265 5.6643 7.6367 2.7905 11.2826 8.2746 4.3578 5.3385 8.4300 3.5598 1.1363 3.5578 10.9248 1.4119 1.3914 7.9691 1.4127 1.5317 2.4989 4.2745 1.3876 1.3972 1.7398 1.5339 1.7366 6.6075 2.4250 6.5642 5.9378 1.7186 2.5049 1.5287 1.4410 12.5928 12.5417 7.5905 7.9546 1.2956 2.1947 1.5194 1.3982 2.2662 11.1948 4.1701 4.4098 1.2214 4.4489 1.3772 1.3441 1.0427 1.0457 1.3897 3.4919 4.9468 3.6989 3.4762 3.7106 4.6085 9.2255 8.7481 8.9810 6.3724 7.3184 1.0384 1.0384 1.1027 1.1027 1.1064 1.1064 1.0939 1.0935 1.0967 1.0938 1.0995 1.0990 1.0954 0.0051 0.0054 0.0041 0.0041 0.0158 0.0355 0.0184 0.0203 0.0240 0.0073 0.0080 0.1459 0.1142 0.1339 0.0560 0.0782 0.1755 0.1427 0.3929 0.4920 0.1423 0.2324 0.4440 0.4391 0.5791 0.5838 0.9404 0.8672 0.7736 0.8831 0.3618 0.5009 1.0290 0.9580 0.6262 1.7606 1.3118 1.2261 0.5522 2.5914 1.8621 1.6623 1.4727 2.0974 0.7849 3.2912 2.4313 1.2977 1.6040 2.9670 1.2584 0.4325 1.3615 4.3954 0.6574 0.6566 3.8424 0.7312 0.8468 1.4191 2.4430 0.8792 0.8899 1.1103 0.9793 1.1285 4.3828 1.6204 4.4307 4.3101 1.2877 1.9147 1.1899 1.1586 10.6622 10.6733 6.6714 7.0367 1.1477 2.2031 1.5347 1.4375 2.3533 11.6900 4.4934 4.8078 1.3607 5.0097 1.5553 1.6135 1.2716 1.2757 1.7391 4.4386 6.5618 4.9215 4.9441 5.2992 6.8004 14.9959 14.3335 14.8001 11.1630 12.9288 5.7371 5.7376 6.4699 6.4702 6.6567 6.6571 6.7781 6.7908 6.8237 6.8132 6.8720 6.8948 6.8748 0.0296 0.0686 0.1669 0.0534 0.2294 0.4824 0.6482 1.0005 6.6946 4.0652 0.0047 5.8188 0.5955 2.1299 0.9694 0.2034 0.4998 0.2358 3.1706 21.7406 0.9110 0.6100 18.2525 4.1995 22.6131 1.0319 15.5005 1.4300 13.1572 1.5713 9.3309 8.8976 0.3383 55.7869 1.0700 0.6458 2.2395 0.0144 0.0525 1.0736 4.3277 38.7575 30.6739 1.2423 16.1621 85.6702 43.2874 52.9044 0.7489 1.4826 1.2528 33.1874 0.0212 8.1909 63.3679 37.0873 30.2658 39.6870 0.6495 6.7094 33.9384 0.2698 1.9061 44.3148 14.4488 0.0223 3.5841 40.4633 31.5562 84.0158 2.6295 95.9399 3.9983 69.1164 378.3449 426.8288 529.4105 267.7378 35.2931 392.8517 27.6354 30.4384 14.5736 33.2672 254.4038 338.5287 48.4350 320.8551 5.4887 269.3242 1.2650 32.7080 91.5385 431.1849 38.8418 494.0078 17.1689 13.4664 628.1218 1130.4752 5.5684 38.3731 19.0204 9.5457 4.5928 1.0242 1.4182 2.2163 18.0568 1.5836 0.5985 13.9544 5.7978 21.4701 18.2979 9.0054 11.1519 0.01 -0.00 -0.02 0.01 0.00 -0.02 0.00 0.01 -0.01 0.00 0.01 0.01 -0.00 0.00 0.02 0.00 -0.00 0.00 0.00 -0.00 -0.02 0.00 0.01 -0.02 -0.00 0.00 0.04 0.00 -0.00 0.01 0.01 0.00 -0.02 0.01 0.00 0.01 0.01 0.00 -0.02 0.00 0.00 0.03 0.01 -0.00 0.01 0.00 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 -0.01 0.00 0.00 0.04 -0.01 0.01 -0.03 -0.32 0.38 -0.31 0.01 0.01 0.49 0.28 -0.34 -0.34 -0.01 -0.01 0.08 0.02 -0.00 0.23 0.07 0.06 -0.01 -0.13 -0.10 0.04 0.00 -0.00 -0.00 0.00 -0.01 0.01 0.01 -0.00 -0.01 0.01 -0.00 -0.03 0.00 -0.00 -0.01 0.00 -0.00 -0.02 0.01 -0.00 -0.01 0.01 -0.01 -0.00 0.01 -0.01 -0.01 0.00 -0.00 -0.01 0.00 -0.01 0.01 0.01 -0.01 0.01 0.00 -0.01 0.01 -0.00 -0.00 0.01 0.01 0.00 -0.02 0.01 0.01 -0.05 0.01 0.02 -0.05 0.00 0.02 -0.05 -0.00 0.01 -0.05 0.00 0.01 -0.05 0.01 0.01 -0.05 0.01 0.02 -0.04 -0.01 0.01 -0.06 0.00 0.00 -0.05 0.01 0.01 -0.04 0.01 0.01 -0.02 0.01 0.01 -0.05 0.01 0.01 -0.00 0.01 0.01 -0.01 0.01 0.01 -0.04 0.01 0.01 -0.01 0.01 0.01 -0.04 0.00 0.01 0.01 -0.00 0.02 -0.03 0.09 -0.07 0.05 -0.02 0.02 -0.17 -0.08 0.12 0.06 -0.02 -0.02 0.03 0.05 0.02 0.52 0.19 0.24 -0.29 -0.34 -0.39 -0.11 0.01 -0.02 0.10 0.01 -0.03 0.16 0.01 -0.01 0.06 0.01 -0.00 -0.00 0.00 -0.01 0.08 0.00 -0.00 0.01 0.02 -0.02 0.08 0.02 -0.03 0.12 0.06 -0.02 0.07 -0.01 -0.01 0.07 -0.00 -0.02 0.13 0.03 -0.03 0.12 -0.00 -0.03 0.17 -0.04 -0.01 0.13 0.00 -0.00 0.12 0.00 -0.00 0.08 -0.00 -0.00 0.02 -0.00 -0.00 0.02 -0.00 -0.00 0.10 0.00 -0.01 0.16 0.00 -0.01 0.14 -0.01 -0.00 -0.04 -0.00 -0.00 0.11 0.00 -0.01 0.20 0.00 -0.00 0.08 0.01 -0.00 0.03 0.00 -0.00 0.14 0.01 -0.00 0.03 0.01 -0.00 -0.03 0.00 -0.00 0.15 0.00 -0.00 0.10 -0.00 -0.01 0.19 0.00 -0.00 0.12 -0.01 0.00 -0.07 -0.06 -0.04 -0.09 -0.02 0.00 -0.11 0.04 0.05 -0.09 0.01 -0.01 -0.05 0.00 0.01 -0.01 -0.00 0.06 -0.13 0.02 -0.11 -0.10 -0.00 0.02 -0.21 -0.00 0.04 -0.36 0.00 0.01 -0.11 0.00 -0.00 0.06 0.00 0.01 -0.10 -0.00 -0.00 0.07 -0.00 0.02 -0.22 0.00 0.03 -0.34 -0.10 0.01 -0.20 0.10 0.03 -0.19 0.00 0.02 -0.19 -0.09 0.02 -0.16 -0.00 0.03 -0.31 0.10 0.01 -0.16 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 -0.00 0.03 0.00 -0.00 0.05 0.00 -0.00 0.03 0.00 0.00 -0.04 0.00 -0.00 0.04 0.00 -0.00 0.08 0.00 -0.00 -0.01 0.00 -0.00 0.01 0.00 0.00 -0.04 -0.00 -0.00 -0.00 0.00 -0.00 0.03 0.00 0.00 -0.06 0.00 -0.00 -0.04 0.00 0.00 -0.08 0.00 -0.00 -0.05 -0.00 0.00 -0.05 -0.02 -0.03 -0.05 -0.01 0.00 -0.08 0.01 0.04 -0.05 -0.00 -0.00 0.05 0.00 -0.01 0.04 0.01 -0.04 0.09 -0.02 0.05 0.07 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 0.01 -0.11 -0.00 0.01 -0.09 -0.00 -0.01 0.12 -0.00 -0.01 0.09 -0.00 0.02 -0.28 -0.00 0.03 -0.28 -0.02 -0.09 -0.36 0.01 0.14 -0.34 -0.00 -0.02 0.29 0.01 -0.14 0.35 0.00 -0.03 0.29 -0.02 0.09 0.37 0.02 -0.00 0.01 0.02 -0.00 0.02 0.01 0.01 -0.00 -0.00 0.01 0.08 -0.00 -0.00 0.23 0.01 -0.01 0.23 0.02 -0.01 0.11 0.01 0.02 -0.10 -0.01 -0.00 0.31 0.01 -0.03 0.31 0.02 -0.00 -0.06 0.01 -0.01 -0.06 0.02 0.01 -0.11 -0.00 -0.01 -0.12 0.02 -0.02 0.01 0.01 0.01 -0.22 -0.00 -0.00 -0.23 0.00 0.02 -0.27 -0.01 0.00 -0.29 -0.03 0.04 -0.02 -0.07 0.00 -0.04 -0.07 0.03 -0.08 0.03 0.13 -0.04 -0.03 -0.04 0.02 0.01 -0.09 0.05 0.01 -0.10 0.09 -0.14 0.05 0.07 0.02 -0.00 -0.01 0.02 0.00 -0.02 0.02 -0.00 0.04 0.02 -0.00 0.01 0.02 0.00 -0.04 0.02 -0.00 0.02 0.02 -0.01 0.14 0.02 -0.02 0.14 0.03 0.06 0.19 0.02 -0.09 0.18 0.02 0.01 -0.16 0.00 0.09 -0.19 0.02 0.02 -0.17 0.05 -0.06 -0.20 0.07 -0.01 0.01 0.08 0.00 -0.11 0.05 0.05 -0.13 -0.01 0.05 -0.09 -0.03 0.00 -0.08 0.01 -0.03 -0.08 0.06 -0.03 -0.07 0.07 0.09 -0.14 -0.07 -0.00 -0.06 -0.01 -0.08 -0.06 0.08 -0.01 -0.06 0.06 -0.05 -0.08 0.06 0.01 0.04 -0.00 -0.05 0.03 0.07 -0.08 -0.17 0.01 0.02 0.16 -0.03 -0.01 0.17 -0.01 0.06 0.24 -0.07 -0.01 0.27 -0.08 0.17 0.02 0.01 0.30 0.05 -0.22 0.14 0.07 -0.13 0.20 0.06 -0.08 -0.16 -0.01 -0.02 -0.28 -0.07 -0.23 -0.17 0.01 -0.09 -0.16 -0.00 0.06 0.01 -0.02 0.06 0.02 -0.04 0.06 0.01 -0.01 0.06 -0.00 0.03 0.07 0.00 0.01 0.07 -0.01 0.01 0.06 0.01 -0.06 0.06 0.02 -0.09 0.03 -0.01 -0.07 0.08 0.03 -0.07 0.08 0.01 0.04 0.07 -0.03 0.07 0.08 0.02 0.02 0.11 0.04 0.07 -0.01 -0.06 0.03 -0.01 -0.05 -0.09 -0.02 -0.04 -0.10 -0.04 -0.04 -0.05 -0.05 -0.06 -0.00 -0.03 -0.07 0.00 -0.02 -0.07 -0.03 -0.02 -0.02 -0.14 -0.06 -0.06 0.04 -0.04 -0.08 0.04 -0.00 -0.05 -0.09 0.01 -0.03 -0.10 0.00 -0.07 -0.04 0.04 -0.03 -0.04 0.00 -0.00 -0.14 0.03 -0.08 -0.00 0.05 -0.05 -0.00 0.04 -0.10 0.04 0.07 -0.06 0.04 -0.06 -0.01 0.01 -0.02 0.03 0.03 -0.09 -0.02 0.03 -0.09 -0.02 0.03 0.08 0.02 0.01 0.06 0.07 0.05 0.16 0.00 0.03 0.06 0.05 0.03 -0.01 0.15 -0.02 -0.01 0.22 -0.07 -0.08 0.10 0.01 -0.09 0.00 0.05 0.07 0.10 0.01 0.08 0.00 0.05 -0.19 0.17 -0.01 -0.17 0.26 -0.04 -0.27 0.14 -0.01 -0.21 0.15 -0.01 0.17 0.17 -0.01 0.19 0.14 -0.01 0.16 0.26 -0.04 0.25 0.15 -0.01 0.01 -0.02 -0.06 0.01 -0.02 0.19 0.01 -0.01 0.24 -0.02 -0.01 0.09 -0.03 -0.02 -0.07 -0.02 -0.04 -0.07 0.00 -0.03 0.03 0.02 0.00 0.35 -0.05 -0.03 -0.19 -0.03 -0.05 -0.19 0.02 -0.03 0.19 0.01 -0.03 0.24 0.02 -0.03 0.03 0.02 -0.03 0.08 0.01 -0.03 0.36 0.02 -0.02 -0.08 0.02 -0.03 -0.08 0.02 -0.02 -0.20 0.02 -0.03 -0.21 -0.05 0.03 -0.01 -0.11 0.01 -0.04 -0.10 0.02 -0.05 0.02 0.11 -0.05 0.02 -0.04 -0.01 0.01 -0.02 -0.04 -0.02 0.00 -0.05 0.09 -0.09 -0.04 0.01 0.06 0.06 0.01 0.09 0.15 -0.02 0.05 0.00 -0.03 0.01 -0.09 0.05 0.05 0.00 0.05 0.01 -0.09 -0.07 0.08 0.04 -0.06 0.11 0.15 -0.01 0.04 -0.00 -0.17 0.09 -0.00 0.09 0.08 0.04 0.19 0.09 -0.00 0.09 0.11 0.14 0.04 0.05 -0.00 0.00 -0.00 0.11 0.00 0.01 0.06 0.01 0.01 0.08 0.00 0.01 -0.06 -0.00 0.01 -0.24 -0.00 0.01 -0.21 0.00 0.01 -0.05 0.01 0.01 0.19 -0.01 0.01 -0.38 -0.01 0.01 -0.30 0.00 0.01 0.06 -0.00 0.00 0.08 0.00 0.01 -0.03 -0.00 0.00 -0.06 -0.00 -0.00 0.18 0.00 0.01 -0.18 0.00 0.01 -0.22 0.00 0.02 -0.26 0.00 0.01 -0.36 0.01 0.01 -0.00 0.04 0.04 0.01 0.01 0.01 0.03 -0.02 -0.03 0.01 -0.01 -0.00 -0.01 -0.00 -0.02 0.02 0.01 -0.03 0.01 -0.07 0.03 0.01 0.00 -0.01 -0.08 0.00 -0.00 -0.22 0.01 -0.01 0.01 0.01 -0.02 0.18 -0.00 -0.01 0.02 -0.01 -0.02 0.17 0.02 -0.01 -0.08 0.02 -0.01 -0.20 -0.08 -0.02 -0.05 0.13 -0.01 -0.05 -0.01 -0.01 -0.06 -0.11 -0.01 -0.03 -0.02 -0.01 -0.18 0.08 -0.01 -0.04 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.01 -0.08 -0.00 0.01 -0.11 -0.00 0.00 -0.03 -0.00 -0.00 -0.00 0.00 0.00 -0.03 0.00 -0.00 -0.00 -0.00 -0.00 0.07 0.00 0.02 -0.27 -0.26 0.22 0.32 0.24 -0.26 0.30 0.00 -0.00 0.07 -0.23 -0.25 0.29 -0.01 0.02 -0.25 0.25 0.22 0.31 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.02 -0.00 0.00 -0.02 -0.00 -0.00 0.03 -0.00 -0.00 0.02 -0.00 0.00 -0.01 0.01 0.03 -0.38 -0.29 0.19 0.22 0.28 -0.22 0.21 -0.00 -0.00 0.01 0.28 0.22 -0.22 0.01 -0.03 0.38 -0.30 -0.20 -0.23 -0.03 0.02 -0.00 0.07 -0.08 -0.03 0.12 -0.12 -0.08 0.18 -0.11 -0.05 0.18 -0.09 0.01 0.15 -0.04 0.03 0.08 -0.04 0.01 0.10 -0.16 -0.11 0.21 -0.09 0.05 0.17 0.01 0.08 -0.04 -0.08 -0.00 -0.09 -0.13 0.09 -0.06 -0.04 -0.07 -0.12 -0.13 0.08 -0.08 -0.17 0.13 -0.10 -0.04 -0.08 -0.13 -0.09 -0.00 -0.11 -0.00 -0.14 -0.17 -0.09 -0.03 0.10 0.04 -0.02 0.18 0.23 -0.00 -0.15 -0.00 0.01 0.12 0.19 -0.01 -0.03 -0.01 0.04 -0.15 0.20 0.01 0.10 0.02 -0.00 0.15 -0.04 0.01 -0.07 -0.02 -0.01 -0.07 -0.03 -0.03 -0.05 -0.00 -0.01 -0.05 0.03 -0.03 -0.08 -0.01 0.02 -0.08 0.01 0.09 -0.02 -0.02 0.02 -0.03 -0.05 0.07 0.03 -0.02 0.01 -0.05 -0.02 0.01 -0.14 -0.04 -0.03 -0.21 -0.00 -0.03 -0.13 -0.08 -0.09 -0.12 -0.04 -0.03 -0.01 -0.01 -0.01 0.01 -0.02 0.02 0.04 -0.05 0.22 0.06 -0.04 0.20 0.06 -0.03 -0.00 0.04 -0.01 -0.15 0.01 -0.01 -0.13 0.04 -0.07 0.32 0.07 -0.03 -0.07 0.04 0.01 -0.29 -0.02 -0.02 -0.05 -0.02 -0.02 -0.22 -0.02 -0.02 0.09 -0.02 -0.02 -0.17 -0.01 -0.02 -0.32 -0.03 -0.02 0.15 -0.03 -0.02 0.04 -0.04 -0.01 0.30 -0.03 -0.02 0.13 0.03 0.01 0.08 -0.09 -0.05 0.01 -0.06 -0.01 -0.01 0.19 0.18 -0.01 -0.01 0.01 -0.07 -0.01 0.03 0.00 0.12 -0.06 0.00 -0.14 0.12 -0.01 -0.00 -0.00 -0.02 -0.00 -0.00 -0.03 -0.01 -0.01 0.04 -0.01 -0.02 0.17 -0.00 -0.00 -0.04 -0.00 0.01 -0.13 -0.01 -0.00 -0.06 -0.01 0.01 -0.15 -0.09 -0.04 -0.07 0.06 0.04 -0.06 -0.01 -0.01 0.06 0.09 -0.03 0.04 -0.00 -0.03 0.18 -0.11 0.01 0.05 0.08 0.01 0.01 -0.04 -0.03 0.00 -0.04 -0.05 -0.03 -0.06 -0.05 -0.02 -0.05 -0.03 -0.00 -0.04 -0.02 0.02 -0.02 -0.01 0.01 -0.03 -0.04 -0.04 -0.03 -0.03 0.00 -0.04 -0.03 0.03 -0.07 -0.03 0.01 -0.11 -0.05 0.02 -0.07 -0.02 0.00 -0.15 -0.04 0.01 -0.09 -0.08 0.03 -0.12 -0.01 -0.01 -0.15 -0.04 -0.01 -0.14 0.03 -0.02 -0.16 -0.04 -0.03 -0.08 -0.05 -0.01 -0.07 -0.04 -0.00 -0.10 -0.06 0.00 -0.10 -0.07 0.01 -0.11 0.06 0.00 -0.19 0.21 -0.00 -0.00 0.07 -0.01 -0.04 0.07 -0.00 0.19 -0.00 0.02 0.19 -0.01 0.03 0.19 -0.01 0.01 0.18 -0.00 0.03 0.17 0.01 -0.01 0.16 0.04 -0.06 0.24 -0.03 -0.03 0.24 -0.09 -0.10 0.22 -0.02 -0.01 0.34 -0.02 -0.01 0.19 0.02 0.02 0.22 -0.00 0.02 0.19 0.04 0.04 0.19 0.02 0.02 -0.01 0.01 0.04 0.00 -0.01 0.05 0.01 -0.01 -0.01 0.01 -0.01 -0.05 0.01 -0.01 -0.05 0.01 -0.01 0.02 0.01 -0.01 0.07 0.00 -0.01 -0.02 0.01 -0.01 -0.09 0.01 -0.00 0.03 0.00 -0.01 0.05 0.01 -0.01 -0.02 -0.00 -0.01 0.09 0.01 -0.01 -0.07 0.01 -0.01 -0.04 0.00 -0.01 0.04 0.01 -0.01 -0.05 0.00 -0.01 0.06 0.01 -0.01 -0.08 0.00 -0.00 -0.02 0.04 0.04 -0.00 -0.02 -0.01 0.00 -0.03 -0.02 -0.00 0.01 -0.01 -0.03 0.02 -0.01 0.00 0.06 -0.04 0.00 -0.05 0.03 -0.00 -0.01 -0.02 0.28 -0.01 -0.04 0.40 -0.01 0.00 0.04 -0.01 0.02 -0.12 -0.02 0.00 0.04 -0.01 0.02 -0.13 0.00 0.01 -0.10 0.01 0.03 -0.41 -0.26 0.07 0.02 0.26 -0.06 0.03 -0.03 0.01 -0.10 -0.29 -0.07 0.03 -0.03 0.02 -0.41 0.24 0.07 0.03 0.00 -0.03 -0.03 -0.00 0.02 -0.09 -0.00 0.02 0.02 0.00 0.02 0.09 -0.00 0.02 0.08 -0.01 0.01 -0.05 -0.01 0.01 -0.13 -0.00 0.02 0.03 -0.00 0.02 0.14 -0.01 0.01 -0.07 -0.00 0.02 -0.09 -0.01 0.02 0.02 0.00 0.01 -0.15 -0.01 0.02 0.10 -0.01 0.02 0.04 -0.00 0.01 -0.07 -0.01 0.02 0.08 -0.00 0.01 -0.11 -0.01 0.02 0.14 0.01 0.01 0.04 -0.07 -0.06 0.00 0.03 0.01 -0.01 0.08 0.06 -0.00 -0.02 0.01 0.05 -0.03 0.02 -0.00 -0.10 0.06 -0.00 0.07 -0.05 0.01 0.01 -0.02 0.19 0.01 -0.01 0.16 -0.01 -0.02 0.08 -0.01 -0.04 0.08 0.02 -0.02 0.09 0.02 -0.04 0.09 -0.03 0.01 -0.13 -0.02 0.05 -0.42 -0.30 -0.01 -0.06 0.20 0.01 -0.05 0.05 0.01 -0.13 -0.19 0.01 -0.05 0.04 0.06 -0.43 0.33 -0.01 -0.07 -0.00 0.15 -0.02 -0.00 -0.05 -0.05 -0.02 -0.05 0.00 -0.06 -0.06 0.04 -0.05 -0.04 0.03 -0.03 -0.04 -0.04 0.00 -0.03 -0.07 -0.01 -0.02 0.01 -0.03 -0.03 0.06 -0.04 -0.06 -0.05 0.01 -0.06 -0.05 0.02 -0.06 -0.02 -0.00 -0.02 -0.06 0.06 -0.08 0.02 0.01 -0.04 -0.02 0.03 -0.03 -0.04 0.04 -0.04 0.01 0.04 -0.05 -0.04 0.02 -0.04 0.03 -0.09 -0.06 0.02 -0.14 -0.10 0.00 -0.11 -0.07 0.01 -0.07 -0.05 0.01 0.10 -0.09 0.02 0.09 -0.08 0.01 0.11 -0.09 0.02 0.15 -0.11 0.01 -0.01 0.06 0.02 -0.01 -0.01 -0.03 0.07 0.10 0.05 0.07 0.17 0.12 -0.08 0.10 0.02 -0.08 0.18 0.03 0.21 0.03 -0.04 0.19 -0.10 -0.12 0.23 0.03 -0.04 0.35 0.10 -0.03 -0.23 0.03 -0.01 -0.33 0.07 -0.01 -0.21 -0.11 -0.05 -0.28 0.05 -0.01 0.02 0.01 0.00 0.00 -0.01 0.04 0.00 -0.01 0.12 -0.01 -0.01 0.05 -0.01 -0.01 -0.10 -0.01 -0.01 -0.09 0.01 -0.01 0.01 0.01 -0.01 0.18 -0.02 -0.01 -0.21 -0.01 -0.02 -0.13 0.00 -0.01 -0.05 0.00 -0.01 -0.12 0.00 -0.00 -0.02 -0.01 -0.00 -0.05 0.00 -0.01 -0.18 -0.01 -0.00 0.08 -0.01 -0.00 0.11 -0.01 0.00 0.13 -0.02 -0.01 0.23 -0.02 -0.01 0.02 -0.07 -0.05 0.00 -0.02 -0.02 -0.00 0.02 0.02 -0.00 -0.01 0.01 -0.02 -0.01 0.01 -0.00 0.03 -0.02 0.00 -0.05 0.04 0.00 0.01 0.01 -0.00 0.01 -0.00 -0.00 0.02 0.02 -0.11 0.02 0.05 -0.35 0.01 -0.00 0.10 0.01 -0.02 0.35 0.04 -0.01 0.11 0.03 -0.05 0.32 0.24 0.08 0.12 -0.12 -0.08 0.10 0.00 0.01 -0.11 -0.17 0.09 -0.10 -0.00 0.03 -0.32 0.18 -0.07 -0.12 0.03 -0.01 0.02 0.06 0.05 -0.01 -0.02 0.19 -0.01 -0.09 0.22 0.03 -0.13 0.13 0.00 -0.06 0.01 -0.02 0.03 0.02 -0.01 0.01 0.24 -0.02 -0.22 0.12 0.01 -0.09 -0.07 -0.04 0.06 -0.02 -0.01 -0.03 -0.17 -0.02 0.03 0.02 0.02 -0.11 -0.20 -0.03 0.00 -0.24 -0.02 -0.07 0.03 0.02 -0.15 -0.09 -0.01 -0.11 0.13 0.04 -0.26 -0.08 -0.01 -0.01 0.15 0.02 -0.10 -0.03 -0.01 0.34 0.23 -0.01 -0.05 0.01 0.02 -0.02 -0.15 -0.01 -0.17 0.11 -0.01 0.26 -0.22 0.04 0.11 -0.14 -0.01 -0.03 -0.01 -0.00 -0.03 -0.00 0.01 -0.03 -0.01 -0.01 -0.03 0.00 -0.02 -0.01 -0.02 -0.01 -0.01 -0.04 -0.03 -0.04 -0.00 0.01 -0.04 0.01 0.02 -0.04 -0.00 0.01 -0.06 -0.02 0.01 0.01 -0.01 0.01 0.03 -0.02 0.01 0.01 0.01 0.02 0.01 -0.01 0.01 -0.01 0.01 0.29 -0.01 -0.00 -0.15 -0.01 -0.01 -0.08 0.01 -0.01 0.08 0.01 -0.00 -0.05 -0.00 0.01 -0.14 -0.01 0.01 -0.09 -0.01 -0.02 -0.09 0.02 -0.00 -0.04 0.00 0.02 -0.18 -0.01 0.00 -0.17 -0.01 0.02 -0.10 -0.01 0.00 -0.11 0.00 0.02 0.08 -0.01 0.03 -0.13 0.00 -0.00 -0.16 0.01 0.01 -0.04 0.01 -0.01 -0.21 0.01 0.01 -0.02 0.00 -0.01 0.08 -0.11 -0.10 0.02 -0.02 -0.02 0.03 0.11 0.09 0.01 0.01 0.01 0.08 -0.00 0.00 0.04 -0.12 0.07 0.02 0.15 -0.09 0.03 0.01 -0.01 -0.01 0.01 -0.01 0.18 -0.00 -0.00 -0.13 -0.01 0.02 -0.29 0.01 0.00 -0.13 0.01 0.03 -0.31 0.01 -0.02 0.08 0.00 -0.05 0.22 0.16 0.09 0.12 -0.11 -0.13 0.10 0.02 -0.01 0.08 0.16 -0.13 0.11 0.02 -0.03 0.24 -0.13 0.10 0.13 -0.06 -0.00 -0.00 -0.05 0.01 -0.03 -0.04 -0.00 -0.05 0.01 0.01 0.00 0.01 0.02 0.04 -0.01 0.03 -0.02 -0.05 0.03 -0.04 -0.05 -0.02 -0.07 0.02 0.02 0.09 -0.00 0.06 -0.03 -0.05 -0.01 0.03 -0.03 0.01 0.05 -0.04 -0.02 0.05 0.01 -0.00 -0.01 -0.04 0.03 0.06 -0.01 -0.03 0.03 0.01 -0.01 -0.04 0.00 -0.06 0.04 0.03 -0.02 -0.10 0.02 0.01 0.01 0.03 0.02 0.01 0.02 0.01 0.00 0.05 0.04 -0.00 0.02 -0.01 -0.01 0.04 -0.04 0.00 0.03 -0.02 0.00 0.01 -0.01 -0.00 -0.10 0.00 0.00 -0.10 0.00 -0.00 -0.04 0.01 -0.01 -0.04 0.08 -0.01 -0.04 -0.01 0.01 -0.04 -0.08 0.02 0.19 -0.13 -0.01 0.15 -0.37 -0.02 0.33 -0.06 -0.00 0.33 -0.06 0.00 0.19 0.13 0.01 0.33 0.07 -0.01 0.15 0.37 0.02 0.33 0.06 -0.00 0.01 0.00 -0.00 0.03 -0.00 0.14 0.03 -0.00 0.22 0.00 -0.00 -0.02 -0.01 -0.01 -0.15 0.01 -0.02 0.10 0.02 -0.02 0.19 0.03 0.00 0.29 -0.03 -0.01 -0.37 0.00 -0.03 0.15 0.03 0.01 -0.13 0.02 -0.00 -0.21 0.02 0.03 -0.18 -0.00 0.00 0.02 0.03 -0.00 -0.28 0.00 0.03 -0.10 -0.02 0.02 0.15 -0.00 0.04 -0.14 -0.04 0.02 0.37 -0.00 -0.00 -0.04 0.05 0.04 -0.01 0.00 0.00 -0.02 -0.06 -0.05 -0.01 -0.00 0.00 0.03 -0.02 0.02 0.01 -0.04 0.02 0.01 0.05 -0.03 0.01 -0.10 -0.00 0.00 -0.10 -0.00 -0.00 -0.05 0.01 0.03 -0.05 0.06 0.08 -0.05 -0.02 -0.03 -0.05 -0.06 -0.07 0.07 -0.06 -0.02 0.05 -0.18 -0.07 0.10 -0.05 -0.03 0.17 -0.00 -0.02 0.07 0.06 0.02 0.18 0.00 0.01 0.05 0.18 0.06 0.11 0.05 0.02 0.13 -0.00 0.01 0.20 -0.03 -0.07 0.15 0.00 -0.10 -0.00 -0.03 0.01 -0.01 -0.08 0.06 0.05 -0.14 -0.05 0.16 -0.11 -0.09 0.18 0.07 -0.14 -0.05 -0.09 0.15 0.01 -0.22 -0.08 0.19 0.02 0.05 0.14 -0.01 0.10 0.16 0.10 0.07 -0.01 0.02 0.00 0.17 -0.09 0.14 0.04 0.12 0.04 -0.02 0.07 -0.05 0.00 0.21 0.06 -0.05 0.07 -0.14 -0.06 -0.04 0.02 -0.12 -0.10 -0.00 -0.06 -0.04 0.01 -0.07 -0.06 0.02 -0.06 0.04 -0.02 -0.10 0.10 -0.02 -0.05 0.06 -0.02 -0.09 0.08 0.00 -0.23 0.00 0.00 -0.23 0.00 0.01 -0.14 0.05 0.00 -0.12 0.16 0.01 -0.14 -0.05 -0.01 -0.12 -0.16 -0.02 0.00 -0.04 -0.00 -0.02 -0.18 -0.01 0.08 -0.01 -0.00 0.08 -0.01 0.00 -0.00 0.04 0.01 0.08 0.00 0.00 -0.02 0.17 0.02 0.06 0.02 0.01 0.00 -0.11 0.00 0.02 -0.08 -0.01 -0.01 0.00 -0.00 -0.02 0.03 0.00 -0.08 -0.08 -0.01 -0.04 -0.15 0.01 0.00 -0.14 0.01 0.00 0.03 -0.00 -0.17 -0.09 -0.03 -0.05 -0.19 0.01 -0.02 -0.09 -0.01 -0.00 -0.03 0.01 -0.00 -0.16 -0.01 0.01 -0.00 0.01 -0.01 -0.01 0.02 0.03 -0.17 -0.01 0.06 -0.12 0.00 0.04 -0.20 -0.01 0.15 -0.13 0.01 0.02 0.09 0.00 0.00 0.05 -0.00 0.22 0.14 -0.00 0.02 0.07 0.01 -0.02 0.07 0.00 0.01 0.02 0.00 -0.14 0.12 -0.04 -0.08 0.10 0.02 -0.00 0.10 0.01 -0.00 0.04 0.02 0.04 0.12 0.01 0.03 0.07 -0.00 -0.04 0.12 0.00 -0.03 0.07 -0.01 0.18 0.06 0.00 0.15 -0.10 -0.01 0.27 0.10 0.01 0.28 0.10 0.01 -0.18 0.06 0.01 -0.28 0.10 0.02 -0.15 -0.11 -0.00 -0.28 0.11 0.01 0.00 0.00 -0.08 -0.00 0.00 0.02 -0.01 0.00 -0.15 -0.00 -0.00 -0.04 -0.01 -0.01 -0.18 -0.01 -0.01 0.02 0.00 -0.01 0.20 -0.01 -0.00 -0.27 -0.02 -0.01 -0.31 -0.01 -0.01 0.03 0.01 0.00 -0.00 0.01 0.00 -0.24 0.00 0.01 0.27 -0.00 0.00 -0.07 0.02 0.00 -0.40 -0.00 0.01 0.03 0.00 0.01 -0.25 -0.01 0.02 0.08 0.00 0.01 -0.43 0.00 -0.00 0.06 -0.08 -0.10 0.03 0.00 -0.00 0.08 0.09 0.10 0.02 -0.01 0.00 0.08 -0.04 0.06 0.12 -0.17 0.05 0.05 0.19 -0.10 0.03 -0.00 -0.00 -0.00 -0.00 -0.01 -0.04 0.01 -0.00 0.02 0.01 -0.01 0.05 -0.01 -0.00 0.03 -0.01 -0.01 0.06 -0.01 0.01 -0.01 -0.00 0.03 -0.03 -0.04 -0.02 -0.02 0.01 0.03 -0.02 0.01 0.01 -0.01 -0.02 0.03 -0.02 0.00 0.03 -0.04 0.05 -0.03 -0.03 0.02 0.00 -0.01 -0.03 0.01 0.00 -0.04 0.01 -0.27 -0.01 0.01 -0.07 -0.02 0.02 -0.24 -0.02 0.02 0.02 -0.02 0.01 0.27 -0.05 0.00 -0.44 -0.02 0.02 -0.39 -0.01 0.03 0.05 -0.01 0.00 0.02 -0.02 0.00 0.18 -0.00 -0.01 -0.18 -0.00 -0.00 0.05 -0.02 -0.00 0.27 0.00 -0.01 -0.04 -0.00 -0.01 0.18 0.00 -0.01 -0.09 -0.00 -0.01 0.29 0.01 -0.01 0.08 -0.10 -0.15 0.05 -0.02 -0.02 0.13 0.15 0.15 0.02 0.01 -0.00 -0.06 0.03 -0.04 -0.09 0.12 -0.03 -0.03 -0.13 0.06 -0.02 -0.01 -0.00 -0.00 -0.01 -0.00 -0.01 -0.00 0.00 0.03 -0.00 0.01 0.05 -0.01 -0.01 -0.02 -0.01 -0.01 -0.03 -0.01 0.01 -0.01 -0.01 0.02 -0.03 -0.04 -0.02 -0.02 0.01 0.03 -0.01 -0.00 -0.01 0.00 0.01 -0.02 0.01 -0.00 -0.01 0.02 -0.02 0.01 0.01 0.26 0.00 0.00 -0.16 0.04 0.01 -0.14 0.02 0.04 -0.04 0.04 0.01 0.00 0.17 0.03 -0.05 0.22 -0.01 -0.09 0.19 -0.03 -0.16 -0.01 0.06 0.09 0.18 0.05 -0.04 0.24 -0.02 -0.15 -0.04 -0.01 -0.13 -0.02 -0.03 -0.08 -0.19 0.02 -0.03 -0.03 -0.01 -0.15 0.02 -0.04 -0.04 -0.22 0.01 0.01 -0.16 -0.03 -0.03 -0.24 0.03 0.10 -0.18 -0.04 0.02 -0.02 -0.01 0.07 0.03 0.01 -0.06 -0.03 -0.02 0.04 -0.01 -0.03 0.02 0.01 0.01 0.05 -0.04 0.02 -0.03 0.03 -0.01 0.03 0.01 0.01 -0.16 -0.00 0.00 -0.16 -0.00 0.00 -0.05 0.09 0.01 -0.04 0.19 0.02 -0.05 -0.09 -0.01 -0.04 -0.19 -0.02 -0.07 0.10 0.01 -0.06 0.16 0.02 -0.10 0.09 0.01 -0.11 0.09 0.00 -0.06 -0.11 -0.01 -0.10 -0.09 -0.00 -0.05 -0.16 -0.01 -0.10 -0.09 -0.01 -0.00 0.18 -0.00 0.08 -0.10 -0.01 0.10 -0.09 -0.01 0.05 -0.06 -0.01 0.08 -0.06 -0.03 0.10 -0.06 0.01 0.11 -0.04 0.02 0.11 -0.07 -0.01 0.10 -0.06 -0.05 0.10 -0.06 0.02 -0.09 -0.11 -0.01 -0.10 -0.09 0.02 -0.11 -0.08 -0.01 -0.04 -0.07 -0.00 -0.11 -0.07 0.03 -0.08 -0.10 0.01 -0.06 -0.10 -0.01 -0.08 -0.12 0.02 -0.05 -0.10 -0.01 -0.04 0.06 0.01 -0.18 0.02 -0.06 0.18 0.12 0.00 -0.16 0.04 0.08 0.05 0.05 -0.00 0.18 -0.13 0.05 -0.07 0.15 -0.09 0.03 0.15 0.04 -0.00 -0.09 -0.01 -0.00 -0.00 -0.02 -0.06 -0.13 -0.00 -0.05 0.02 0.02 0.05 -0.12 -0.00 0.04 0.02 0.01 -0.15 -0.10 -0.01 -0.13 0.03 -0.00 -0.24 -0.14 -0.01 -0.23 -0.13 -0.02 0.16 -0.10 -0.01 0.24 -0.13 -0.02 0.14 0.04 -0.00 0.24 -0.14 -0.01 0.03 0.06 0.00 -0.01 -0.05 -0.01 -0.09 0.06 0.02 -0.13 0.05 0.01 -0.26 -0.12 0.03 -0.20 -0.22 -0.00 -0.06 -0.18 -0.02 -0.07 0.10 0.02 -0.43 -0.14 0.05 -0.23 -0.32 -0.00 0.02 -0.01 -0.01 -0.02 -0.05 0.01 -0.02 0.10 0.00 -0.06 -0.03 -0.01 -0.01 -0.07 0.03 -0.10 0.12 0.02 -0.13 0.07 -0.02 -0.12 0.18 0.04 -0.22 0.08 -0.03 0.03 0.00 -0.00 0.21 0.02 0.10 -0.02 -0.02 -0.01 0.19 0.00 -0.12 0.02 0.00 -0.00 0.10 -0.10 0.04 0.02 0.06 -0.05 0.07 0.08 0.02 0.00 -0.02 -0.00 0.01 0.00 -0.00 -0.00 -0.02 -0.00 0.00 0.05 0.00 0.03 -0.05 -0.00 0.02 -0.01 0.00 -0.04 0.00 0.00 -0.03 0.06 0.01 -0.08 -0.01 0.00 -0.08 -0.02 -0.00 0.04 -0.06 -0.01 0.05 -0.06 -0.01 0.04 -0.04 -0.01 0.05 -0.07 -0.01 -0.02 0.16 0.00 -0.04 -0.05 -0.00 -0.08 0.01 0.01 -0.06 0.02 0.00 -0.10 -0.03 0.01 -0.07 -0.06 -0.00 -0.04 -0.05 -0.01 -0.07 0.03 0.01 -0.15 -0.03 0.02 -0.08 -0.09 0.00 0.06 -0.07 -0.00 0.13 0.04 -0.00 0.09 -0.16 -0.00 0.13 0.04 0.02 0.12 0.08 -0.02 0.20 -0.19 -0.01 0.25 -0.10 0.02 0.22 -0.27 -0.03 0.40 -0.12 0.02 0.01 0.00 -0.00 0.08 0.02 0.03 0.02 0.01 -0.00 0.07 0.02 -0.04 -0.04 -0.00 0.01 -0.19 0.20 -0.06 -0.07 -0.06 0.07 -0.14 -0.09 -0.03 0.00 -0.06 -0.01 0.00 0.00 -0.01 -0.03 -0.09 -0.00 -0.03 0.03 0.01 0.02 -0.07 -0.00 0.02 0.07 0.01 -0.10 -0.08 -0.01 -0.09 0.00 -0.00 -0.16 -0.11 -0.01 -0.15 -0.10 -0.01 0.10 -0.05 -0.00 0.17 -0.08 -0.01 0.08 0.06 0.00 0.17 -0.08 -0.01 -0.00 -0.00 0.00 0.00 0.01 -0.17 0.01 0.01 0.12 -0.00 0.01 -0.02 -0.01 0.01 -0.14 0.01 0.00 0.17 0.01 0.00 -0.04 0.03 0.02 0.34 -0.01 0.01 -0.24 0.02 -0.01 0.47 -0.00 0.01 -0.16 -0.01 0.01 0.13 -0.01 -0.00 -0.06 0.01 0.01 -0.03 -0.03 0.02 0.37 -0.00 -0.00 0.17 0.01 0.01 -0.12 -0.01 -0.01 0.46 0.02 0.01 -0.22 -0.00 -0.00 0.00 -0.01 -0.02 0.00 -0.01 -0.00 0.02 0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.01 -0.01 0.01 0.01 -0.01 -0.01 0.00 0.01 0.00 0.00 0.04 0.00 -0.03 0.00 0.00 -0.03 0.01 -0.00 0.02 0.00 -0.00 0.03 0.02 -0.00 0.00 -0.02 -0.00 -0.00 -0.06 -0.00 0.03 -0.01 -0.00 0.03 -0.01 -0.00 -0.00 -0.02 -0.00 -0.03 -0.01 -0.00 0.00 -0.06 -0.00 -0.03 -0.01 -0.00 0.00 -0.03 -0.01 0.00 0.01 0.04 0.00 0.01 -0.03 0.00 0.01 -0.00 0.01 0.01 0.02 0.01 0.01 -0.03 0.00 0.01 0.01 0.00 0.01 -0.07 0.01 0.01 0.04 0.01 0.02 -0.08 -0.01 0.02 0.04 -0.00 0.02 -0.03 -0.01 0.01 0.02 0.00 0.02 0.00 -0.01 0.03 -0.07 -0.01 0.02 -0.03 -0.00 0.02 0.02 -0.01 0.02 -0.08 -0.00 0.02 0.03 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.01 -0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.01 0.01 0.00 -0.01 -0.01 -0.00 0.10 0.00 -0.00 0.33 0.02 -0.20 0.01 0.00 -0.20 0.11 0.01 0.20 0.01 0.00 0.20 0.11 0.01 0.03 -0.16 -0.01 -0.02 -0.45 -0.04 0.20 -0.08 -0.01 0.21 -0.07 -0.00 -0.03 -0.16 -0.01 -0.22 -0.07 -0.00 0.02 -0.46 -0.04 -0.20 -0.09 -0.01 -0.04 -0.00 -0.00 0.12 0.05 0.01 0.03 0.18 0.01 -0.06 0.17 0.01 -0.03 0.24 -0.00 0.06 0.12 -0.00 0.12 0.10 0.01 0.08 0.28 -0.01 -0.07 0.23 -0.01 0.02 0.02 -0.01 0.12 -0.04 -0.01 0.04 -0.18 -0.01 0.12 -0.08 -0.00 -0.06 -0.17 -0.01 0.09 -0.30 -0.00 0.06 -0.10 -0.00 -0.04 -0.23 0.00 0.02 -0.00 -0.01 -0.08 -0.23 0.01 -0.01 0.00 0.00 0.06 -0.09 0.07 -0.18 -0.04 0.00 0.06 -0.09 -0.08 -0.01 -0.01 0.00 0.01 -0.04 0.05 -0.07 0.10 -0.12 0.01 0.14 0.07 0.03 0.01 0.00 0.03 0.01 0.00 -0.04 -0.08 -0.00 -0.04 -0.13 -0.01 -0.02 0.08 0.00 -0.02 0.13 0.01 -0.01 -0.13 -0.01 -0.03 -0.21 -0.02 0.02 -0.12 -0.01 0.04 -0.11 -0.01 -0.02 0.12 0.01 0.01 0.11 0.01 -0.03 0.17 0.02 0.00 0.12 0.01 0.15 0.00 0.00 -0.05 -0.01 0.01 -0.03 -0.06 -0.01 0.00 -0.05 0.02 -0.01 -0.06 0.02 -0.05 -0.02 -0.03 -0.04 -0.01 0.02 -0.05 -0.09 -0.05 0.01 -0.06 0.01 -0.04 0.00 -0.09 -0.06 0.01 -0.01 -0.03 0.06 0.01 -0.04 0.01 -0.02 0.00 0.05 -0.02 -0.06 0.10 0.05 -0.05 0.01 0.03 -0.01 0.06 -0.01 -0.04 -0.01 0.08 0.01 0.06 -0.01 0.01 -0.01 0.01 -0.01 0.05 -0.01 0.05 -0.00 -0.02 -0.00 0.02 0.02 0.01 0.01 -0.01 0.02 0.01 0.00 0.01 -0.03 0.04 0.01 -0.04 -0.03 0.02 -0.00 0.00 0.02 -0.00 0.00 -0.07 -0.15 0.00 -0.06 -0.21 -0.02 -0.07 0.15 -0.00 -0.07 0.21 0.02 -0.08 -0.26 -0.02 -0.10 -0.37 -0.05 -0.04 -0.26 -0.03 -0.01 -0.23 -0.02 -0.08 0.27 0.02 -0.01 0.23 0.02 -0.10 0.38 0.05 -0.04 0.26 0.03 0.02 -0.00 -0.00 -0.01 -0.00 -0.10 0.00 -0.00 0.08 -0.01 -0.00 -0.14 -0.01 -0.00 -0.07 -0.00 -0.00 0.16 -0.01 0.00 -0.16 0.01 -0.01 0.36 -0.00 -0.00 0.00 0.01 -0.01 0.50 -0.01 0.00 0.08 0.00 0.00 -0.08 -0.01 -0.00 0.17 -0.01 0.00 0.14 0.01 0.01 -0.36 -0.00 0.00 -0.16 -0.01 0.00 0.05 0.00 0.01 -0.48 -0.01 0.00 -0.03 -0.00 -0.00 -0.04 0.02 -0.08 -0.02 0.01 0.00 0.11 -0.01 0.09 -0.02 -0.00 0.00 0.04 -0.01 -0.05 -0.11 0.08 0.06 -0.01 -0.06 -0.02 0.05 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.01 -0.01 -0.02 -0.01 -0.01 0.01 0.01 -0.01 0.02 0.01 -0.01 -0.03 -0.00 -0.01 -0.04 0.01 0.01 -0.01 0.01 -0.01 -0.04 0.00 -0.01 0.03 0.00 -0.01 0.04 -0.01 -0.01 0.04 -0.01 0.01 0.01 -0.01 0.00 0.00 0.02 -0.06 -0.00 0.14 -0.05 -0.04 0.05 -0.01 -0.04 -0.25 0.02 -0.02 0.10 -0.03 0.02 0.02 -0.07 0.02 -0.15 -0.07 -0.09 0.19 0.06 -0.02 0.33 -0.01 0.07 0.09 0.06 0.00 0.13 0.05 -0.04 0.04 0.07 0.02 -0.14 0.01 -0.04 -0.23 0.07 -0.09 0.17 0.03 0.03 0.02 -0.02 -0.02 0.09 0.01 0.07 0.10 -0.06 -0.01 0.33 0.01 -0.02 -0.15 0.08 -0.16 -0.12 0.05 -0.02 0.29 -0.11 0.22 -0.05 -0.01 -0.02 -0.13 0.02 0.08 0.26 -0.16 -0.16 -0.03 0.12 0.12 -0.13 0.00 0.00 0.00 0.00 0.00 0.01 -0.00 0.00 -0.01 -0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.01 0.01 0.01 0.01 0.01 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.01 0.01 -0.01 0.01 0.00 0.00 -0.01 0.00 0.21 -0.02 0.05 0.18 0.11 -0.00 -0.02 0.11 -0.05 -0.04 0.06 0.03 0.09 -0.08 -0.02 0.23 -0.05 -0.02 0.26 0.28 -0.01 -0.15 0.04 0.09 0.03 -0.23 -0.04 -0.21 -0.02 0.05 -0.18 0.11 -0.00 -0.23 -0.05 -0.02 0.02 0.11 -0.05 -0.26 0.29 -0.01 -0.09 -0.08 -0.02 0.04 0.06 0.03 -0.03 -0.23 -0.04 0.14 0.04 0.08 -0.04 0.08 -0.03 0.06 -0.14 0.08 -0.10 0.09 0.07 0.00 -0.06 -0.13 0.05 0.07 -0.03 0.09 0.07 -0.00 -0.03 -0.07 0.15 -0.03 -0.10 -0.13 0.00 -0.02 0.00 0.00 -0.04 0.00 0.02 -0.00 -0.00 0.02 -0.01 -0.00 -0.02 -0.00 -0.00 -0.02 -0.01 -0.00 -0.00 0.01 0.00 0.00 0.05 0.01 -0.02 0.01 0.00 -0.03 -0.00 0.00 0.00 0.01 0.00 0.02 0.00 0.00 -0.00 0.05 0.01 0.02 0.01 0.00 -0.00 0.00 0.00 0.01 -0.00 0.16 -0.00 0.00 0.04 -0.00 0.00 -0.03 0.01 0.00 0.15 -0.00 0.00 -0.15 0.00 -0.00 0.09 -0.01 0.01 -0.15 0.01 0.00 0.18 -0.01 0.01 -0.49 0.01 0.00 -0.17 -0.00 -0.00 -0.03 0.00 0.00 -0.09 -0.00 0.00 0.04 -0.01 -0.00 0.16 -0.00 -0.00 0.15 0.01 -0.00 -0.15 -0.01 -0.01 0.49 0.01 -0.00 -0.20 -0.00 -0.00 -0.12 0.11 -0.10 -0.09 0.01 -0.00 0.18 -0.11 0.10 -0.07 -0.01 0.00 0.13 -0.04 -0.06 -0.18 0.09 0.16 0.01 -0.05 -0.10 0.15 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.02 -0.01 0.01 0.02 -0.01 0.00 -0.00 0.00 0.01 -0.02 0.01 0.00 -0.00 0.01 -0.01 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.02 -0.00 0.00 -0.01 -0.00 0.00 -0.02 0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.02 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.02 -0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.02 -0.26 -0.00 -0.01 0.10 -0.00 -0.02 0.26 -0.00 0.01 -0.10 -0.00 -0.00 -0.01 -0.01 -0.04 0.26 0.25 0.31 0.16 -0.23 -0.32 0.11 -0.00 0.00 0.01 -0.23 0.32 -0.11 -0.01 0.04 -0.26 0.24 -0.31 -0.16 0.02 0.00 0.00 -0.07 -0.01 -0.00 0.03 -0.13 -0.00 0.08 -0.09 -0.00 0.13 -0.13 -0.00 0.03 0.02 -0.00 -0.06 0.02 0.01 -0.01 -0.24 0.01 0.23 -0.12 -0.01 0.08 0.15 -0.02 -0.06 0.01 0.00 0.04 0.13 0.00 -0.05 -0.02 -0.01 0.07 0.09 0.01 -0.00 0.22 -0.01 0.03 -0.02 0.00 0.12 0.12 0.01 0.08 -0.14 0.01 0.22 0.11 0.01 -0.11 0.17 0.00 0.02 -0.13 0.23 -0.07 0.32 0.01 -0.01 -0.13 -0.23 -0.12 -0.16 -0.01 -0.26 -0.13 0.10 0.08 -0.07 -0.26 0.13 0.14 0.15 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.01 -0.01 0.00 -0.00 -0.01 0.00 -0.01 -0.01 0.00 -0.00 0.01 0.00 -0.01 0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 -0.11 0.01 -0.00 -0.04 -0.13 -0.00 0.07 -0.10 -0.01 0.12 -0.11 -0.01 -0.02 0.06 0.01 -0.14 0.05 -0.01 -0.12 -0.31 0.02 0.25 -0.09 -0.01 0.05 0.23 0.03 0.11 0.01 0.00 0.04 -0.14 0.00 0.14 0.05 -0.01 -0.07 -0.11 -0.01 0.12 -0.32 0.03 0.01 0.06 0.01 -0.12 -0.11 -0.01 -0.05 0.23 0.03 -0.26 -0.09 -0.01 -0.08 0.12 0.01 0.00 -0.08 0.17 -0.03 0.23 -0.00 -0.00 -0.08 -0.16 0.09 0.12 0.01 0.21 0.11 -0.08 -0.07 0.07 0.19 -0.11 -0.10 -0.10 0.00 0.01 0.00 0.00 0.02 0.00 -0.01 0.01 0.00 -0.01 -0.01 -0.00 0.01 0.01 0.00 0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.03 -0.00 0.02 0.01 -0.00 0.02 0.01 0.00 -0.00 0.00 0.00 -0.02 0.01 0.00 -0.00 -0.03 -0.00 -0.02 0.01 -0.00 0.00 -0.00 -0.01 -0.01 0.01 -0.21 0.00 -0.00 0.06 0.02 -0.00 0.28 0.01 -0.01 0.03 -0.01 0.00 -0.07 -0.01 -0.00 0.17 -0.01 -0.01 -0.17 -0.00 -0.01 -0.35 -0.01 0.02 -0.37 0.01 0.01 -0.20 -0.01 -0.00 0.06 0.01 0.00 0.16 -0.02 -0.00 0.27 0.01 -0.02 -0.16 0.01 0.00 -0.06 -0.01 -0.01 0.03 0.01 0.02 -0.35 0.00 -0.01 -0.36 -0.00 0.00 -0.09 0.12 -0.04 -0.09 0.00 0.00 0.09 -0.13 0.04 -0.07 0.01 -0.00 -0.09 0.05 0.03 0.08 -0.02 -0.13 -0.03 -0.03 0.10 -0.12 -0.00 0.00 -0.01 -0.00 0.00 -0.01 -0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.02 -0.01 0.01 0.02 -0.01 0.00 -0.00 0.00 -0.01 0.02 -0.01 0.00 -0.00 -0.01 0.01 -0.02 -0.01 0.00 -0.10 -0.00 -0.02 0.04 0.00 -0.01 0.03 0.00 0.04 0.02 -0.00 0.03 -0.01 -0.00 0.01 -0.00 -0.00 -0.03 -0.02 -0.00 -0.02 -0.01 0.01 0.01 -0.02 0.00 0.03 0.04 0.00 0.02 0.04 0.00 0.01 0.03 0.00 0.03 -0.02 -0.00 -0.04 0.02 -0.01 0.02 -0.01 0.01 -0.01 -0.00 -0.00 -0.03 -0.01 -0.00 -0.03 0.04 0.00 -0.01 -0.02 0.01 0.02 0.02 -0.00 -0.01 -0.02 -0.02 -0.02 0.01 0.00 -0.00 -0.02 0.02 -0.02 0.02 -0.00 -0.00 -0.02 0.00 0.02 0.01 0.02 0.01 -0.00 -0.02 0.00 -0.15 0.00 0.00 -0.15 0.01 0.06 -0.07 -0.02 0.08 0.32 0.03 -0.06 -0.07 -0.02 -0.08 0.32 0.03 -0.07 -0.06 -0.01 -0.02 0.29 0.04 -0.29 -0.12 0.02 -0.34 -0.18 -0.02 0.07 -0.06 -0.01 0.33 -0.18 -0.02 0.02 0.30 0.04 0.29 -0.12 0.01 -0.00 -0.00 -0.00 0.09 0.23 0.01 0.29 -0.02 -0.01 0.03 -0.09 -0.01 -0.10 -0.22 0.00 -0.27 0.04 0.01 -0.01 0.09 -0.00 0.27 -0.07 -0.01 0.06 -0.20 0.01 -0.28 0.02 0.01 -0.09 0.23 0.01 -0.29 -0.02 -0.01 0.01 0.09 0.00 -0.03 -0.08 -0.01 -0.27 -0.07 -0.01 0.27 0.03 0.01 0.09 -0.21 0.00 0.28 0.02 0.01 -0.05 -0.20 0.02 -0.01 -0.01 0.00 0.00 0.01 -0.00 0.03 -0.04 -0.00 0.01 0.01 0.01 0.01 -0.01 0.00 -0.02 -0.00 0.00 -0.01 -0.01 -0.03 -0.00 0.00 0.03 0.00 0.00 0.01 0.00 0.01 0.01 -0.00 -0.00 -0.01 -0.00 0.01 0.00 0.00 -0.00 -0.01 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 -0.01 -0.02 0.00 0.00 -0.00 -0.00 0.01 -0.02 0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.01 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.01 0.02 0.00 0.00 0.01 0.00 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.01 -0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 0.01 0.00 -0.01 0.02 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.02 -0.20 -0.00 0.01 -0.21 0.00 -0.02 0.21 0.00 0.02 -0.09 -0.00 -0.02 0.21 -0.00 0.02 -0.09 -0.00 -0.01 0.04 0.01 0.04 -0.21 -0.23 -0.34 -0.15 0.20 0.34 -0.10 0.00 -0.00 0.04 -0.20 0.34 -0.10 -0.01 0.04 -0.21 0.23 -0.34 -0.15 0.00 -0.06 -0.00 0.05 -0.14 0.01 0.01 -0.17 -0.00 -0.19 -0.15 -0.00 -0.07 0.17 0.00 -0.03 0.14 0.00 0.14 0.12 -0.00 0.09 -0.01 -0.02 0.17 0.21 0.00 -0.09 -0.03 0.00 -0.05 -0.14 -0.02 -0.02 -0.17 -0.01 -0.14 0.12 -0.00 0.20 -0.15 0.04 -0.10 -0.01 -0.04 0.03 0.15 0.01 0.08 0.18 -0.01 0.11 -0.04 0.01 -0.16 0.22 -0.07 -0.18 -0.11 0.01 -0.00 0.10 0.17 0.15 -0.09 -0.01 -0.01 0.10 -0.17 0.18 -0.13 0.01 0.08 0.19 -0.04 -0.12 -0.07 -0.13 -0.10 0.00 0.16 0.00 -0.03 -0.02 0.00 -0.03 -0.01 0.01 -0.02 0.02 0.02 0.09 -0.00 -0.01 -0.01 0.02 -0.02 0.08 -0.00 -0.02 -0.02 0.00 -0.00 0.08 -0.01 -0.10 -0.07 -0.01 -0.07 -0.02 -0.02 0.01 -0.01 0.00 0.05 -0.01 -0.02 -0.00 0.07 -0.01 0.09 -0.06 -0.01 0.01 0.00 -0.00 -0.08 -0.01 0.02 -0.16 0.12 0.01 0.12 0.15 -0.05 0.09 -0.02 0.00 0.15 -0.13 -0.01 -0.11 -0.13 -0.00 -0.22 0.01 0.05 -0.16 -0.06 0.07 0.20 0.01 -0.00 -0.08 0.01 -0.02 -0.17 -0.12 -0.01 -0.10 0.13 0.00 0.11 -0.14 0.04 -0.22 0.00 -0.05 0.15 0.12 0.01 0.09 0.02 -0.00 0.20 -0.01 0.01 -0.14 0.05 -0.06 0.14 0.09 0.00 -0.01 -0.08 -0.12 -0.12 0.09 -0.00 0.02 -0.08 0.13 0.13 -0.09 0.01 0.05 0.13 -0.03 -0.09 -0.06 -0.11 -0.07 0.00 0.12 0.05 0.00 0.00 0.04 0.00 0.00 0.03 -0.04 -0.01 0.04 0.10 0.01 0.03 0.04 0.00 0.04 -0.11 -0.01 -0.05 -0.10 -0.01 -0.03 0.04 0.01 -0.16 -0.14 -0.00 -0.17 -0.15 -0.02 -0.05 0.10 0.01 -0.17 0.15 0.02 -0.03 -0.04 -0.00 -0.16 0.14 0.01 0.04 -0.00 0.00 -0.02 -0.00 0.02 -0.04 0.03 0.01 0.03 0.04 -0.04 0.02 -0.01 0.01 0.03 -0.03 -0.01 -0.03 -0.03 -0.00 -0.06 -0.00 0.03 -0.04 -0.02 0.06 0.05 0.01 -0.00 -0.02 0.00 -0.02 -0.04 -0.03 -0.01 -0.03 0.03 -0.00 0.03 -0.04 0.04 -0.06 0.00 -0.03 0.03 0.03 0.01 0.02 0.01 -0.01 0.05 -0.01 0.00 -0.03 0.02 -0.06 0.04 0.02 0.00 -0.01 -0.02 -0.03 -0.03 0.02 -0.00 0.01 -0.02 0.04 0.04 -0.03 -0.00 0.02 0.04 -0.00 -0.02 -0.02 -0.03 -0.02 0.01 0.03 -0.10 -0.00 -0.00 -0.10 -0.00 -0.00 -0.05 0.08 0.01 -0.08 -0.20 -0.02 -0.05 -0.08 -0.01 -0.08 0.21 0.02 0.10 0.19 0.01 0.06 -0.09 -0.01 0.30 0.26 0.00 0.32 0.28 0.03 0.10 -0.19 -0.01 0.32 -0.28 -0.04 0.06 0.10 0.01 0.31 -0.26 -0.01 -0.01 0.00 0.00 0.01 0.01 0.18 0.02 -0.01 0.04 -0.02 -0.01 -0.32 -0.00 -0.00 0.06 -0.02 0.01 -0.06 0.01 0.01 0.01 0.02 -0.01 0.21 0.03 -0.00 0.50 -0.02 0.00 -0.03 0.02 0.01 -0.19 0.02 0.02 -0.03 0.02 -0.02 -0.01 -0.04 0.02 0.33 0.03 0.00 -0.21 -0.02 -0.02 0.07 -0.01 -0.01 -0.06 -0.02 0.00 0.03 0.05 -0.02 -0.53 -0.01 -0.01 0.05 -0.08 0.02 0.07 0.01 -0.01 -0.05 0.09 -0.01 0.04 -0.01 0.01 -0.05 0.02 -0.00 0.05 0.01 -0.08 -0.01 -0.02 0.07 -0.10 0.01 0.00 0.00 0.01 0.00 0.00 0.00 -0.01 -0.00 0.01 0.02 0.00 0.01 0.01 0.00 0.01 -0.02 -0.00 -0.01 -0.02 -0.00 -0.00 0.01 0.00 -0.02 -0.02 -0.00 -0.03 -0.02 -0.00 -0.01 0.02 0.00 -0.03 0.02 0.00 -0.00 -0.01 -0.00 -0.03 0.02 0.00 0.01 -0.00 -0.00 -0.05 -0.08 -0.05 -0.21 0.02 0.04 -0.05 0.02 -0.06 0.09 0.11 0.02 0.28 -0.12 -0.05 0.02 -0.12 0.05 -0.21 0.02 0.17 -0.06 0.09 0.13 0.31 -0.09 -0.07 -0.05 0.08 -0.06 -0.21 -0.02 0.02 0.02 0.12 0.06 -0.05 -0.02 -0.06 -0.22 -0.02 0.15 0.29 0.12 -0.03 0.09 -0.11 0.03 0.31 0.09 -0.06 -0.07 -0.09 0.14 -0.11 -0.08 0.01 -0.05 0.07 0.15 0.09 -0.11 -0.01 -0.04 0.07 -0.14 -0.10 0.08 -0.00 -0.10 -0.13 0.03 0.06 0.08 0.11 0.04 0.02 -0.13 -0.01 0.00 0.00 -0.01 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.01 0.01 0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.00 -0.00 0.01 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.01 -0.15 0.04 -0.00 0.08 -0.00 -0.00 -0.17 -0.01 -0.01 0.08 -0.04 0.02 -0.11 0.00 0.02 0.16 0.05 -0.00 0.46 0.03 -0.01 0.39 -0.05 0.02 -0.17 0.01 -0.01 -0.14 0.03 0.00 0.08 -0.01 -0.02 0.15 0.02 0.00 -0.17 0.01 0.00 0.46 -0.04 -0.02 -0.11 -0.02 0.02 0.08 -0.05 -0.01 -0.16 -0.01 0.02 0.38 0.01 0.01 0.01 -0.02 -0.01 -0.00 -0.01 0.01 -0.01 0.03 -0.01 0.03 0.02 -0.01 0.01 0.01 0.02 -0.02 -0.01 0.01 -0.01 0.00 -0.03 0.05 0.00 0.00 0.00 0.00 0.00 0.02 -0.00 0.00 -0.00 0.00 0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.10 0.00 -0.09 0.98 -0.00 0.00 -0.02 0.00 -0.00 0.02 0.00 0.00 -0.02 -0.00 -0.00 0.02 -0.00 -0.00 0.01 0.00 0.00 -0.05 -0.02 -0.05 -0.02 0.02 0.05 -0.01 0.00 -0.00 0.01 -0.02 0.05 -0.01 -0.00 0.00 -0.05 0.02 -0.05 -0.02 -0.00 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 0.05 -0.00 0.00 -0.04 0.00 0.00 0.05 -0.00 -0.00 -0.09 0.01 -0.00 0.16 0.02 -0.01 0.54 0.01 0.00 0.28 0.00 -0.00 -0.06 -0.01 -0.00 0.27 0.00 -0.00 -0.05 0.01 0.00 -0.17 -0.00 -0.00 0.05 0.02 0.01 -0.57 -0.00 0.00 0.10 0.00 -0.01 -0.05 -0.00 0.00 0.06 0.01 -0.01 -0.29 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.02 0.00 -0.02 0.20 0.01 -0.01 0.21 -0.00 0.10 0.10 0.00 0.13 -0.13 -0.01 0.17 -0.13 0.00 -0.10 -0.10 -0.01 -0.05 0.14 -0.02 -0.07 -0.17 -0.02 0.27 0.11 -0.00 0.02 0.20 0.01 0.01 0.21 -0.00 0.10 -0.10 -0.01 -0.11 0.10 -0.01 0.05 0.15 0.00 -0.17 -0.13 -0.00 -0.13 -0.13 -0.01 -0.27 0.11 0.00 0.08 -0.17 0.01 -0.09 -0.06 0.00 -0.08 0.07 0.18 0.09 -0.21 -0.00 -0.09 0.07 -0.17 0.09 -0.06 0.01 0.15 0.14 -0.04 -0.05 -0.15 -0.16 -0.02 -0.07 0.21 0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 0.01 0.00 0.00 -0.01 -0.00 0.01 0.01 0.00 0.01 0.01 0.00 -0.00 0.01 0.00 -0.01 0.01 0.00 -0.00 -0.01 -0.00 -0.01 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 0.02 -0.00 0.00 -0.02 0.00 -0.00 -0.01 0.00 -0.00 0.01 0.00 -0.00 0.07 0.00 0.00 0.13 0.00 -0.01 0.09 -0.00 0.00 0.03 -0.00 0.01 -0.02 0.00 -0.00 0.02 -0.01 0.00 0.10 -0.00 0.00 0.02 0.01 0.00 -0.07 0.00 -0.00 -0.12 -0.02 -0.00 0.55 -0.04 -0.00 0.79 0.00 -0.00 0.00 0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.01 0.00 0.00 0.00 -0.02 -0.01 -0.01 0.02 -0.02 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.04 -0.00 0.00 -0.02 0.01 0.00 0.10 -0.00 -0.00 -0.12 -0.00 0.00 -0.08 -0.00 -0.00 0.02 0.00 0.00 0.02 0.03 -0.00 0.79 0.02 -0.01 0.56 0.00 -0.00 -0.02 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.07 -0.00 -0.00 0.01 -0.00 0.00 0.02 0.00 -0.00 -0.09 0.01 0.00 -0.13 0.00 0.00 0.01 0.02 -0.00 -0.02 0.00 -0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.02 -0.14 0.00 -0.10 -0.24 0.00 -0.18 -0.16 0.01 -0.09 0.20 0.00 0.09 -0.03 -0.00 0.16 -0.01 -0.00 -0.08 -0.19 -0.02 -0.04 0.22 0.00 -0.03 -0.35 0.01 -0.01 0.13 -0.00 -0.10 0.24 0.00 0.16 0.01 0.00 -0.18 0.15 -0.02 -0.09 0.20 0.02 0.09 0.04 0.01 -0.09 -0.20 0.01 -0.02 0.35 -0.06 -0.03 -0.21 -0.07 -0.01 -0.02 -0.00 0.06 -0.02 -0.10 -0.03 0.16 0.00 0.07 -0.03 0.09 -0.01 0.02 -0.00 0.09 0.06 -0.02 -0.01 -0.11 -0.10 0.01 -0.06 0.13 0.01 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.03 -0.00 0.00 -0.13 0.00 0.00 0.05 0.00 -0.00 0.01 0.00 -0.00 0.02 0.00 0.00 -0.00 0.03 -0.01 0.72 -0.01 0.00 -0.13 -0.00 -0.00 -0.09 -0.00 -0.00 0.02 0.00 -0.00 -0.11 -0.00 0.00 -0.00 -0.00 0.00 0.04 -0.03 0.00 0.63 0.00 -0.00 0.02 -0.00 -0.00 0.01 0.00 -0.00 -0.07 0.01 -0.00 -0.10 0.00 0.00 0.00 0.01 -0.00 -0.01 0.00 -0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.00 0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.07 0.01 0.00 0.12 -0.00 -0.00 -0.04 0.00 -0.00 0.00 0.00 -0.00 -0.02 -0.00 -0.00 0.01 -0.01 0.03 -0.64 0.00 -0.00 0.03 0.01 0.00 0.08 -0.00 0.00 0.08 0.01 -0.00 -0.13 -0.00 0.00 -0.01 -0.00 0.00 0.05 -0.02 -0.03 0.72 0.00 0.00 0.02 0.00 0.00 -0.00 0.01 -0.00 -0.08 0.00 0.00 -0.04 -0.00 -0.00 -0.00 -0.01 0.00 0.01 -0.00 0.00 -0.00 0.01 -0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.00 0.01 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.01 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.30 -0.00 -0.00 0.32 -0.00 -0.00 -0.04 -0.01 0.00 -0.08 0.06 0.01 -0.03 0.01 -0.00 -0.07 -0.06 -0.01 -0.08 0.05 0.00 -0.14 -0.40 -0.03 0.27 0.14 -0.03 0.28 0.15 0.06 -0.08 -0.04 -0.00 0.28 -0.14 -0.06 -0.15 0.41 0.03 0.27 -0.13 0.03 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.25 0.03 0.01 0.26 0.01 0.07 0.17 0.01 0.15 -0.03 -0.00 -0.07 0.17 0.01 -0.15 -0.03 -0.00 -0.12 -0.19 -0.01 -0.17 -0.40 -0.04 -0.13 -0.25 -0.04 -0.11 -0.22 0.00 0.12 -0.19 -0.01 0.12 -0.22 -0.00 0.16 -0.38 -0.04 0.14 -0.25 -0.04 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.02 0.00 -0.00 -0.02 -0.00 -0.00 0.00 -0.00 -0.00 -0.02 -0.01 0.00 -0.08 0.00 -0.00 0.12 0.00 0.00 0.02 -0.00 -0.00 -0.01 0.00 -0.00 0.02 -0.00 -0.00 -0.01 -0.00 -0.01 0.04 0.00 0.00 -0.14 -0.00 0.00 0.11 -0.02 -0.01 0.82 0.03 0.00 -0.52 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.01 -0.00 -0.02 -0.01 0.01 0.02 -0.00 0.00 0.00 0.00 -0.01 0.02 -0.00 0.00 -0.00 -0.01 0.00 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.02 -0.00 0.00 -0.01 0.00 -0.00 -0.01 0.00 -0.00 0.11 -0.01 0.00 -0.14 0.00 -0.00 0.02 -0.00 -0.00 0.04 -0.02 0.00 -0.53 0.02 -0.02 0.80 0.00 0.00 -0.01 -0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.03 -0.00 -0.00 0.02 0.00 0.00 -0.02 0.00 0.00 -0.12 -0.00 0.00 0.08 0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.01 -0.01 -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 -0.02 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 -0.01 -0.03 -0.01 -0.03 -0.01 0.02 0.04 -0.01 0.00 0.00 0.01 -0.02 0.05 -0.01 0.00 -0.01 -0.03 0.01 -0.04 -0.02 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.02 -0.00 0.00 -0.02 0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.08 -0.00 -0.01 0.12 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.01 0.03 -0.00 -0.00 -0.02 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.06 -0.07 0.00 0.15 0.13 0.00 -0.01 0.12 -0.02 -0.01 -0.02 -0.00 -0.01 0.12 0.02 -0.01 -0.02 0.05 -0.02 -0.10 0.08 0.19 0.24 0.01 0.27 0.14 -0.27 -0.41 0.03 -0.05 -0.02 -0.10 0.27 -0.41 0.03 -0.08 0.19 0.25 -0.00 0.27 0.14 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.01 0.01 0.00 -0.00 -0.01 0.00 -0.00 0.01 -0.01 0.02 -0.01 -0.01 -0.03 0.00 -0.00 0.00 0.01 0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.01 -0.01 -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.08 0.04 -0.00 0.28 -0.02 -0.00 0.01 -0.06 -0.03 -0.02 0.01 0.00 0.01 -0.06 0.03 -0.02 0.01 0.10 -0.05 0.04 0.17 0.43 -0.08 -0.31 -0.27 -0.01 -0.19 0.04 -0.10 -0.10 -0.05 0.05 0.19 0.04 -0.10 -0.17 0.43 -0.08 0.31 -0.27 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.13 -0.00 0.00 -0.02 -0.00 0.01 -0.13 -0.00 -0.00 0.02 0.00 0.01 -0.12 -0.01 -0.02 0.27 0.16 0.40 0.14 -0.15 -0.41 0.08 0.00 -0.01 0.12 -0.15 0.40 -0.08 -0.01 0.02 -0.27 0.16 -0.40 -0.13 -0.00 -0.01 -0.00 0.01 -0.07 -0.00 -0.26 0.13 0.01 0.04 0.01 -0.00 0.05 -0.26 -0.00 -0.09 0.05 0.00 0.25 0.15 -0.00 -0.24 0.23 0.01 0.30 -0.25 -0.01 -0.13 -0.05 0.01 -0.02 -0.07 -0.00 0.23 0.12 0.01 -0.22 0.14 -0.00 -0.03 0.01 -0.00 0.20 0.24 0.01 0.08 0.05 -0.00 -0.05 -0.24 0.00 0.12 -0.04 0.03 -0.26 -0.23 -0.04 0.03 0.01 -0.00 -0.01 0.00 0.01 0.00 -0.01 -0.00 -0.01 0.00 -0.01 -0.02 0.01 -0.00 0.01 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.01 0.01 0.00 -0.01 -0.00 0.00 -0.04 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 -0.01 0.01 -0.00 -0.01 0.01 0.00 -0.01 -0.03 -0.00 0.02 0.01 -0.00 0.02 0.01 0.01 0.01 0.01 -0.00 -0.03 0.01 0.01 0.02 -0.06 -0.00 -0.03 0.01 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.03 -0.01 -0.00 -0.01 -0.00 0.00 -0.01 0.02 0.00 0.01 -0.00 -0.00 -0.03 -0.01 0.00 0.04 0.01 0.00 -0.04 0.02 0.00 0.02 0.03 0.00 -0.00 -0.00 -0.00 0.04 0.01 0.00 -0.04 0.02 -0.00 -0.01 0.00 -0.00 0.05 -0.00 -0.00 0.01 0.00 -0.00 -0.01 -0.03 0.00 0.03 -0.04 0.00 -0.04 -0.03 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.15 -0.00 0.00 -0.16 -0.00 0.00 0.05 0.06 0.01 0.14 -0.01 -0.00 0.05 -0.06 -0.01 0.14 0.01 0.00 -0.13 0.00 -0.00 -0.22 -0.53 -0.04 0.20 0.03 -0.07 0.20 0.04 0.08 -0.13 -0.00 0.00 0.20 -0.03 -0.08 -0.22 0.53 0.04 0.20 -0.04 0.07 -0.02 0.00 0.00 0.00 -0.00 -0.00 -0.24 0.10 0.01 0.01 -0.01 -0.00 0.02 -0.22 -0.00 -0.04 0.02 0.00 0.26 0.14 -0.00 -0.30 0.03 0.00 0.20 -0.22 -0.00 -0.09 -0.13 -0.01 0.01 0.01 0.01 -0.27 -0.10 -0.01 0.28 -0.16 0.00 0.01 0.00 0.00 -0.33 -0.03 -0.00 -0.05 -0.02 0.00 0.03 0.24 -0.00 -0.11 0.14 -0.01 0.20 0.24 0.02 0.01 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.06 0.00 0.00 -0.06 0.00 0.00 0.01 0.02 0.00 0.05 -0.00 -0.00 0.01 -0.02 -0.00 0.05 0.00 -0.00 -0.04 0.00 0.00 -0.07 -0.18 -0.01 0.06 0.01 -0.02 0.07 0.01 0.03 -0.05 -0.00 -0.00 0.07 -0.02 -0.03 -0.07 0.18 0.01 0.07 -0.01 0.02 0.00 -0.00 -0.00 -0.05 0.23 0.00 -0.05 -0.01 0.00 -0.16 -0.13 0.01 -0.06 -0.08 0.00 0.22 -0.07 -0.01 0.09 0.07 -0.00 -0.15 -0.18 0.01 -0.40 -0.15 0.02 0.28 0.03 -0.01 0.04 0.22 0.00 0.06 -0.02 0.00 -0.08 0.07 -0.00 0.15 -0.12 0.01 0.17 -0.23 0.01 -0.19 -0.08 -0.01 0.05 -0.07 -0.00 -0.24 -0.02 -0.01 0.32 -0.12 0.02 -0.16 -0.09 0.01 0.05 -0.00 -0.06 0.01 0.07 -0.00 0.06 -0.00 0.05 0.13 -0.10 0.02 -0.07 -0.02 0.01 -0.01 0.06 0.04 -0.02 0.04 -0.06 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.02 -0.05 0.00 0.02 0.05 -0.00 -0.05 -0.02 0.00 0.03 -0.03 -0.00 0.00 0.03 -0.00 -0.06 -0.03 0.00 0.20 0.43 -0.01 0.25 -0.00 -0.01 0.07 0.21 0.00 -0.01 -0.05 0.00 -0.02 0.06 -0.00 0.07 -0.02 0.00 0.09 -0.04 0.00 -0.27 0.59 -0.01 -0.03 0.03 -0.00 -0.03 -0.06 -0.00 -0.14 0.33 0.01 -0.22 -0.04 -0.01 -0.05 -0.02 0.00 0.02 -0.00 -0.02 0.00 0.02 -0.00 0.02 -0.00 0.02 0.09 -0.03 0.00 -0.04 -0.01 0.01 -0.01 0.02 0.02 -0.01 0.02 -0.02 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.01 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.03 0.06 -0.00 -0.11 -0.04 0.01 -0.01 -0.10 0.00 0.10 0.03 -0.00 -0.05 0.02 0.00 0.20 0.42 0.02 -0.13 -0.14 0.00 0.28 0.49 0.01 -0.01 -0.04 -0.00 0.01 -0.03 0.00 -0.02 -0.04 -0.00 -0.10 0.04 -0.00 0.09 -0.20 -0.02 0.10 -0.00 0.00 -0.02 0.09 0.00 0.24 -0.34 -0.00 -0.24 0.13 -0.01 -0.14 -0.03 0.01 0.04 -0.00 -0.04 0.01 0.03 -0.00 0.05 -0.00 0.04 -0.11 0.04 -0.01 0.05 0.02 -0.01 0.01 -0.02 -0.01 0.01 -0.02 0.03 0.01 0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.01 0.00 -0.01 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.04 -0.00 -0.00 -0.03 0.06 0.00 -0.05 -0.03 0.00 0.06 0.02 -0.00 -0.05 -0.01 0.00 -0.04 -0.07 -0.00 0.03 0.20 0.01 0.74 0.12 -0.03 -0.09 -0.10 0.00 0.04 0.03 0.00 -0.02 -0.04 -0.00 -0.04 0.05 -0.00 -0.04 0.01 -0.00 0.05 -0.21 -0.01 -0.04 -0.01 -0.00 0.05 -0.01 0.00 -0.05 0.00 -0.00 0.53 -0.08 0.03 -0.04 -0.04 0.00 0.01 0.00 -0.01 -0.00 0.03 0.00 0.02 0.00 0.01 -0.03 0.03 0.00 0.01 0.00 -0.00 0.00 -0.01 -0.01 0.00 -0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.07 -0.00 0.02 -0.02 -0.00 0.01 0.02 -0.00 -0.03 -0.04 0.00 0.02 0.04 -0.00 -0.01 0.04 0.00 0.06 0.06 -0.00 -0.46 -0.11 0.02 0.12 0.33 0.00 0.01 -0.06 -0.00 -0.03 -0.03 -0.00 0.00 0.06 0.00 -0.02 0.03 -0.00 -0.06 0.01 -0.01 -0.04 0.04 -0.00 0.05 -0.05 0.00 -0.16 0.36 0.00 0.66 -0.14 0.03 0.00 0.04 0.00 -0.00 -0.00 0.00 0.00 -0.02 -0.00 -0.00 -0.00 -0.00 -0.01 0.06 0.00 0.00 -0.00 0.00 0.00 -0.02 -0.01 0.00 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.01 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 0.02 -0.00 0.00 -0.12 0.00 0.00 0.03 -0.00 -0.00 0.01 0.00 0.00 -0.01 -0.01 -0.01 -0.09 0.00 0.00 -0.17 -0.01 -0.02 -0.03 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 0.03 0.01 0.89 0.13 -0.03 -0.24 -0.00 -0.00 -0.06 -0.14 0.03 -0.22 0.00 0.00 -0.03 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.02 0.00 0.00 -0.00 -0.01 0.00 0.02 -0.00 -0.00 -0.00 0.01 -0.00 0.01 0.03 0.00 -0.01 -0.01 -0.01 0.00 -0.12 0.01 0.00 -0.16 0.02 0.01 0.01 -0.00 0.01 0.03 0.02 -0.01 -0.03 0.02 0.00 -0.12 0.00 0.00 0.03 0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.07 -0.05 0.88 0.07 0.04 -0.07 0.00 -0.13 -0.16 -0.03 0.12 -0.28 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.02 0.01 -0.00 -0.01 -0.03 0.00 -0.02 0.05 0.00 0.04 -0.00 -0.00 -0.00 -0.04 -0.00 -0.01 0.02 0.00 -0.11 -0.25 0.00 0.21 0.02 -0.01 -0.03 -0.11 0.00 -0.03 -0.01 -0.00 0.01 -0.07 0.01 0.02 0.03 0.00 0.07 0.07 -0.00 0.11 -0.27 -0.02 -0.01 -0.05 0.00 -0.06 -0.01 -0.00 0.03 -0.16 0.00 -0.45 0.05 -0.01 -0.19 0.23 0.00 0.04 -0.02 -0.04 0.02 -0.10 -0.00 0.04 -0.02 0.04 0.32 0.49 0.06 -0.16 -0.10 0.02 -0.01 -0.13 -0.09 -0.01 -0.05 0.03 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.02 -0.00 -0.01 -0.08 0.00 -0.01 0.09 0.00 0.06 0.01 -0.00 -0.01 -0.04 -0.00 -0.00 0.04 0.00 -0.16 -0.40 -0.01 0.30 0.04 -0.01 -0.08 -0.22 0.00 -0.01 -0.00 -0.00 -0.00 0.05 -0.00 0.00 -0.01 0.00 -0.01 -0.02 0.00 -0.05 0.14 0.02 0.01 0.02 -0.00 0.02 -0.01 0.00 -0.05 0.17 0.00 0.18 -0.03 0.00 -0.35 0.49 0.00 0.07 -0.04 -0.07 0.05 -0.21 -0.00 0.08 -0.04 0.07 -0.15 -0.28 -0.03 0.08 0.05 -0.01 0.01 0.07 0.05 0.00 0.03 -0.02 -0.00 0.00 0.00 -0.00 0.05 0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 0.01 0.01 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 0.00 0.94 0.08 -0.02 -0.08 -0.01 0.06 0.01 -0.00 0.02 -0.08 -0.01 -0.06 0.01 0.00 -0.02 0.02 0.00 -0.01 0.03 0.00 0.12 0.06 -0.01 0.13 0.07 0.02 0.02 0.02 0.00 -0.13 0.07 0.02 0.01 0.03 0.00 -0.12 0.06 -0.01 0.00 -0.00 -0.00 -0.04 0.14 0.00 0.03 0.03 0.00 0.03 0.00 -0.00 0.01 0.01 -0.00 0.03 -0.04 -0.00 -0.01 0.03 0.00 -0.14 -0.33 -0.02 -0.06 0.00 0.00 -0.11 -0.44 -0.00 0.01 -0.12 -0.00 0.04 -0.07 0.00 0.00 0.01 0.00 0.02 -0.05 0.00 -0.30 0.67 0.01 0.01 0.02 0.00 -0.00 -0.00 -0.00 -0.01 0.07 0.00 0.11 -0.02 0.00 -0.09 -0.09 0.00 0.02 0.00 -0.01 0.00 0.03 0.00 0.02 0.00 0.01 -0.13 0.11 -0.00 0.04 0.00 -0.00 0.01 -0.03 -0.02 0.01 -0.02 0.02 -0.01 0.00 0.00 -0.01 0.00 0.00 -0.01 -0.02 -0.00 0.00 0.00 0.00 -0.01 0.02 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 0.03 0.00 0.03 0.02 0.00 0.03 0.02 -0.00 -0.00 -0.00 -0.00 0.02 -0.03 0.01 0.01 -0.03 -0.00 0.02 -0.02 -0.01 0.00 0.00 0.00 -0.09 0.02 0.00 0.04 0.04 -0.00 0.02 -0.02 -0.00 -0.01 -0.01 0.00 0.04 -0.00 -0.00 0.01 0.01 0.00 0.11 0.17 0.01 0.06 0.00 -0.00 -0.08 -0.33 -0.00 -0.12 -0.04 -0.00 0.03 -0.01 0.00 -0.01 -0.06 -0.00 0.03 0.04 0.00 0.25 -0.46 -0.00 0.05 0.02 0.00 0.01 0.00 0.00 -0.18 0.68 0.01 -0.08 0.02 -0.00 -0.02 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.02 -0.00 -0.00 -0.02 -0.04 -0.00 0.01 0.00 0.00 -0.01 0.04 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.06 0.00 0.05 0.04 0.01 0.05 0.05 -0.01 -0.01 -0.00 -0.00 0.06 -0.05 0.00 0.01 -0.06 -0.00 0.06 -0.04 -0.01 0.00 -0.00 -0.00 -0.07 -0.02 0.00 -0.00 -0.03 -0.00 0.01 -0.05 -0.00 0.03 -0.00 -0.00 0.03 -0.01 -0.00 -0.02 0.06 0.00 0.31 0.63 0.00 -0.16 -0.03 0.01 -0.15 -0.51 -0.00 0.01 0.04 -0.00 0.01 -0.03 0.00 0.03 0.05 0.00 -0.01 -0.01 -0.00 -0.06 0.13 -0.01 -0.01 -0.03 -0.00 -0.03 0.01 -0.00 0.09 -0.32 -0.00 0.17 -0.02 0.01 0.04 0.07 -0.00 -0.01 -0.00 0.01 0.00 -0.02 -0.00 -0.01 -0.00 -0.01 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 0.00 -0.03 -0.00 -0.00 0.00 0.00 -0.02 0.02 0.00 0.01 -0.00 0.00 -0.01 0.00 0.00 0.00 0.03 0.00 0.04 0.02 -0.00 0.04 0.02 0.00 -0.00 -0.00 -0.00 0.02 -0.03 0.01 0.01 -0.03 -0.00 0.02 -0.03 -0.01 -0.00 -0.00 -0.00 0.05 -0.02 -0.00 -0.02 -0.01 0.00 -0.01 0.02 0.00 0.01 0.00 -0.00 -0.02 0.00 0.00 -0.00 -0.01 0.00 -0.06 -0.11 -0.00 -0.01 -0.00 0.00 0.06 0.22 0.00 0.03 0.02 0.00 -0.02 0.01 -0.00 -0.00 0.01 -0.00 -0.01 -0.00 -0.00 -0.03 0.03 0.00 -0.01 -0.01 -0.00 0.00 -0.00 0.00 0.04 -0.15 -0.00 -0.03 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.07 -0.00 0.00 -0.09 -0.00 0.00 -0.05 -0.21 -0.02 0.05 0.02 0.00 -0.05 0.21 0.02 0.05 -0.02 -0.00 -0.03 0.01 0.00 0.03 0.32 0.01 0.29 0.23 0.06 0.29 0.25 -0.03 -0.03 -0.01 -0.00 0.29 -0.25 0.02 0.03 -0.32 -0.01 0.29 -0.23 -0.07 0.00 0.01 0.00 -0.29 0.04 0.01 0.07 0.16 -0.00 0.13 -0.26 -0.01 -0.22 0.02 0.01 0.08 0.26 0.00 0.15 -0.25 -0.01 0.03 0.10 0.00 0.13 0.08 -0.01 -0.02 -0.06 -0.01 0.30 0.03 0.01 -0.05 0.17 -0.00 -0.16 -0.24 -0.01 -0.18 -0.26 -0.01 -0.04 0.14 0.00 -0.07 0.26 0.00 0.20 0.02 0.01 0.08 -0.17 -0.01 -0.01 0.05 -0.00 0.02 0.20 0.00 -0.01 -0.02 0.01 0.01 -0.05 -0.00 -0.01 -0.02 -0.01 0.06 0.13 0.00 -0.01 -0.02 0.00 -0.01 -0.02 -0.01 -0.01 -0.01 0.01 -0.01 0.01 0.00 -0.01 0.01 0.00 0.00 -0.02 -0.00 0.00 -0.00 0.00 -0.01 0.02 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.03 0.00 0.03 0.02 0.00 0.03 0.02 0.00 -0.00 -0.00 -0.00 0.03 -0.03 0.01 0.01 -0.04 -0.00 0.03 -0.03 -0.01 0.00 0.00 -0.00 0.10 -0.08 -0.00 -0.04 -0.04 0.00 0.09 0.10 -0.00 0.18 0.02 -0.01 -0.09 -0.05 0.00 -0.08 0.12 0.00 0.06 0.17 0.01 -0.58 -0.09 0.03 -0.26 -0.47 0.00 0.13 0.01 0.00 -0.05 0.12 -0.00 -0.08 -0.14 -0.00 -0.12 -0.06 -0.01 0.11 -0.22 -0.00 -0.01 0.13 0.00 0.09 0.01 0.00 0.02 0.04 -0.00 -0.04 0.03 -0.00 -0.17 -0.15 0.01 0.02 0.01 -0.02 0.00 0.05 0.00 0.03 0.01 0.02 0.11 -0.02 0.00 -0.02 -0.01 0.00 -0.01 0.01 0.01 -0.01 0.01 -0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.01 0.00 -0.00 -0.01 0.00 0.00 -0.01 -0.01 -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.02 -0.02 -0.00 -0.02 0.01 0.00 0.00 0.00 -0.02 -0.00 0.01 0.00 0.01 -0.00 -0.02 -0.00 -0.01 -0.00 0.00 -0.00 -0.09 -0.01 0.00 0.05 0.11 -0.00 0.15 -0.02 -0.01 -0.03 0.02 0.00 -0.02 0.11 0.00 0.06 -0.11 -0.00 -0.13 -0.26 -0.00 -0.12 0.01 0.00 -0.09 -0.06 -0.00 -0.09 -0.10 -0.00 0.02 -0.02 0.00 0.07 0.08 0.00 -0.13 0.11 -0.01 -0.00 0.04 0.00 0.10 -0.02 0.00 -0.17 0.03 -0.01 0.26 -0.39 0.00 0.60 -0.08 0.03 -0.16 -0.09 0.01 0.02 0.00 -0.02 0.01 0.03 -0.00 0.02 0.00 0.02 0.23 -0.15 0.01 -0.05 -0.01 0.01 -0.01 0.04 0.02 -0.02 0.02 -0.03 0.00 0.01 0.00 -0.00 0.00 0.00 0.01 -0.01 -0.00 -0.01 0.00 0.00 -0.01 -0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.02 -0.01 -0.02 0.01 -0.01 0.02 0.00 0.00 0.00 -0.01 -0.03 0.02 0.00 -0.01 -0.00 -0.01 -0.02 -0.02 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 -0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.12 -0.01 -0.01 0.01 0.00 0.01 -0.00 -0.00 0.01 0.01 0.00 -0.01 -0.00 -0.00 -0.03 -0.09 -0.01 0.02 0.22 0.00 0.09 0.35 0.29 0.08 0.38 -0.24 0.03 -0.09 -0.01 -0.08 0.39 -0.25 -0.02 0.22 0.00 -0.08 0.36 0.29 -0.00 0.00 0.00 -0.02 -0.10 -0.00 -0.05 0.06 0.00 0.21 -0.08 -0.01 0.06 0.06 -0.00 -0.11 0.15 0.01 0.06 -0.15 -0.00 0.02 0.22 0.01 -0.53 -0.00 0.02 -0.17 0.05 0.00 0.00 0.10 0.00 -0.05 -0.04 -0.00 0.04 0.12 0.00 0.19 0.05 0.01 0.02 -0.21 -0.00 -0.11 -0.12 -0.00 0.06 -0.06 0.00 -0.15 -0.05 -0.00 -0.51 0.01 -0.02 -0.18 -0.04 0.01 0.02 -0.00 -0.02 0.01 0.02 -0.00 0.02 -0.00 0.02 -0.18 0.04 -0.01 0.03 0.01 -0.00 0.01 -0.01 -0.01 0.01 -0.01 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.02 -0.02 -0.00 -0.02 0.01 0.00 -0.01 -0.00 -0.01 0.03 -0.02 -0.00 0.01 -0.00 -0.01 0.02 0.02 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.02 -0.00 -0.00 0.02 -0.00 -0.00 0.01 0.08 0.01 0.00 -0.01 -0.00 0.01 -0.08 -0.01 0.00 0.01 0.00 -0.02 -0.10 -0.01 0.01 0.08 -0.01 -0.03 0.36 0.34 -0.03 0.39 -0.30 -0.02 0.10 0.01 -0.03 -0.38 0.29 0.00 -0.08 0.00 -0.03 -0.35 -0.33 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.02 0.00 0.01 -0.00 -0.00 0.01 0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 0.00 0.01 -0.02 0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.02 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.09 0.01 -0.00 -0.15 -0.01 0.07 -0.03 -0.00 -0.03 0.00 0.00 -0.07 -0.03 -0.00 0.03 0.00 0.00 -0.06 -0.03 0.00 0.02 0.40 -0.03 0.37 -0.11 -0.18 0.28 -0.14 0.17 0.06 -0.03 0.00 -0.28 -0.14 0.17 -0.02 0.40 -0.03 -0.37 -0.11 -0.18 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.02 -0.00 -0.00 -0.00 0.00 -0.00 -0.02 -0.00 0.00 0.00 -0.00 -0.00 0.03 0.01 0.05 -0.46 0.33 0.05 -0.03 -0.29 -0.07 -0.03 -0.00 0.00 -0.04 -0.35 0.08 0.04 0.01 -0.05 0.54 0.38 -0.07 0.03 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 -0.02 0.01 0.00 -0.00 -0.02 -0.00 0.00 0.00 -0.00 -0.00 -0.02 0.00 0.00 0.00 -0.00 -0.00 -0.04 -0.01 0.01 0.54 -0.34 -0.08 0.01 0.39 0.06 0.06 0.00 -0.00 -0.03 -0.34 0.05 0.05 0.01 0.02 0.46 0.28 -0.07 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 0.02 0.00 -0.00 0.04 0.09 0.01 -0.03 -0.01 -0.00 0.04 -0.09 -0.01 -0.03 0.01 0.00 -0.06 -0.06 -0.01 0.03 0.46 0.06 0.29 -0.12 -0.15 0.33 -0.13 0.15 -0.06 0.06 0.01 0.33 0.13 -0.16 0.02 -0.46 -0.06 0.29 0.12 0.15 -0.00 -0.00 -0.00 -0.10 -0.12 0.00 0.12 0.05 -0.00 -0.03 0.12 0.00 -0.11 -0.10 0.00 0.13 0.04 -0.00 -0.06 0.09 0.00 -0.02 -0.32 -0.00 0.33 -0.06 -0.01 -0.02 -0.40 -0.00 0.10 -0.12 0.00 -0.12 0.06 -0.00 0.06 0.09 0.00 0.05 0.11 0.00 0.02 -0.30 0.00 -0.13 0.04 -0.00 0.10 -0.10 0.00 0.02 -0.41 -0.00 -0.34 -0.06 -0.02 0.00 -0.06 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 0.00 -0.01 -0.04 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.03 -0.01 -0.00 -0.01 0.00 0.00 -0.03 -0.01 -0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.01 -0.07 -0.00 -0.04 0.03 0.03 -0.03 0.03 -0.03 -0.00 0.00 0.00 0.03 0.03 -0.03 0.01 -0.07 -0.00 0.04 0.03 0.03 0.00 0.00 0.00 -0.18 -0.17 0.01 0.08 -0.08 -0.00 0.10 0.24 -0.00 -0.08 -0.02 0.00 -0.02 -0.09 -0.00 0.08 0.04 -0.00 0.18 0.07 -0.00 0.41 0.05 -0.02 0.13 0.32 -0.00 -0.15 0.18 -0.00 0.09 0.06 0.00 0.07 -0.05 0.00 0.08 -0.23 0.01 0.15 -0.00 0.00 -0.02 0.09 0.00 -0.08 0.02 -0.00 0.13 -0.30 0.00 0.42 -0.05 0.02 -0.09 -0.10 0.00 0.01 0.00 -0.01 -0.00 0.02 0.00 0.01 0.00 0.01 -0.08 0.10 -0.00 0.01 -0.00 -0.00 0.00 -0.01 -0.01 0.00 -0.01 0.01 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.01 0.00 0.00 0.01 -0.00 -0.00 0.01 0.01 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.01 -0.01 0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.01 -0.01 0.01 -0.00 0.03 0.00 -0.02 -0.01 -0.01 -0.00 -0.00 -0.00 0.03 0.00 -0.00 -0.01 0.00 0.00 -0.02 -0.01 0.00 0.01 0.00 -0.00 -0.01 0.01 0.00 0.00 -0.02 0.00 -0.02 -0.02 0.00 -0.04 -0.01 0.00 0.02 0.09 0.00 -0.04 0.02 -0.00 0.02 0.01 0.00 0.00 -0.02 0.00 0.02 -0.03 0.00 0.03 -0.02 0.00 0.00 0.02 0.00 -0.02 0.00 -0.00 -0.00 0.06 0.00 0.09 -0.01 0.00 0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.02 0.02 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.15 0.01 0.00 0.19 0.02 0.27 -0.12 -0.01 -0.13 0.02 0.00 -0.26 -0.12 -0.01 0.13 0.02 0.00 0.00 0.02 0.00 -0.07 -0.43 -0.02 -0.17 0.16 0.16 -0.15 0.20 -0.15 -0.00 0.02 0.00 0.15 0.19 -0.15 0.07 -0.43 -0.02 0.17 0.16 0.16 -0.00 0.00 0.00 0.13 0.04 -0.00 -0.03 0.08 0.00 -0.09 -0.11 0.00 0.09 -0.00 -0.00 0.00 0.07 0.00 -0.05 -0.04 0.00 -0.15 -0.15 0.01 -0.26 -0.06 0.01 -0.10 -0.20 0.00 -0.17 -0.09 -0.00 -0.01 0.12 -0.00 0.11 -0.05 0.00 0.14 -0.08 0.01 0.23 -0.36 0.01 -0.06 0.20 -0.00 -0.08 -0.07 -0.00 0.21 -0.52 0.00 0.30 -0.15 0.01 0.05 0.04 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.06 0.04 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.03 -0.00 -0.00 -0.00 -0.00 -0.03 0.02 0.00 0.01 -0.00 -0.00 0.03 0.02 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.03 0.00 0.01 -0.01 -0.01 0.01 -0.01 0.01 -0.00 -0.00 -0.00 -0.01 -0.02 0.01 -0.01 0.04 0.00 -0.01 -0.01 -0.01 0.00 0.00 0.00 0.11 -0.21 -0.00 0.04 0.10 -0.00 -0.09 0.01 0.00 -0.01 -0.10 -0.00 0.10 0.22 -0.00 -0.11 -0.02 0.00 -0.21 -0.44 -0.00 -0.08 -0.14 0.00 -0.18 -0.55 -0.00 -0.01 0.19 0.00 0.05 -0.02 0.00 -0.05 -0.01 -0.00 -0.01 -0.09 0.00 -0.05 0.22 0.00 0.08 -0.11 0.00 -0.06 0.08 -0.00 -0.06 0.28 0.00 0.12 0.07 0.01 0.03 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.03 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.02 0.01 0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.02 0.00 0.01 -0.01 -0.01 0.00 -0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.01 -0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.02 0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.37 0.03 -0.00 -0.78 -0.07 -0.14 -0.22 -0.02 0.11 0.02 0.00 0.14 -0.22 -0.02 -0.11 0.02 0.00 0.04 0.06 0.01 0.02 -0.12 -0.01 -0.08 0.02 0.01 -0.09 0.03 -0.01 -0.04 0.06 0.01 0.09 0.03 -0.01 -0.02 -0.12 -0.01 0.08 0.02 0.01 0.00 -0.00 0.00 0.00 -0.02 -0.00 0.00 0.02 0.00 0.02 -0.02 -0.00 -0.01 0.01 0.00 0.01 -0.01 -0.00 -0.01 0.02 0.00 -0.02 -0.02 0.00 0.01 0.01 -0.00 -0.01 -0.05 -0.00 0.00 0.02 0.00 0.00 -0.02 0.00 -0.01 -0.02 -0.00 0.01 0.02 0.00 -0.02 0.02 -0.00 0.01 0.01 0.00 -0.01 -0.00 -0.00 -0.01 0.05 0.00 0.01 -0.01 0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.18 -0.00 0.00 -0.22 -0.00 0.00 0.49 -0.16 -0.02 -0.26 0.03 0.01 0.49 0.16 0.01 -0.26 -0.03 -0.00 -0.04 0.01 0.00 -0.08 -0.25 -0.01 0.01 0.13 0.08 0.04 0.16 -0.06 -0.04 -0.01 -0.00 0.04 -0.16 0.06 -0.08 0.25 0.01 0.01 -0.13 -0.08 -0.00 -0.00 -0.00 -0.08 0.08 0.00 0.04 -0.06 -0.00 -0.18 0.11 0.01 0.19 -0.04 -0.01 -0.05 0.09 0.00 0.07 -0.13 -0.00 0.05 -0.06 -0.00 -0.20 -0.11 0.01 -0.12 -0.05 0.00 -0.22 -0.14 -0.01 0.08 0.18 0.00 0.18 0.25 0.01 -0.31 -0.29 -0.01 0.20 0.00 0.01 -0.09 -0.19 -0.00 0.33 0.09 0.01 -0.22 0.07 -0.00 -0.32 0.21 -0.01 0.04 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.05 0.03 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 -0.01 -0.00 -0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 0.04 -0.01 -0.00 -0.02 0.00 0.00 0.03 0.01 0.00 -0.02 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.02 -0.00 0.00 0.01 0.01 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.01 0.01 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.21 0.13 0.01 0.06 -0.22 -0.00 -0.31 0.31 0.01 0.29 -0.12 -0.01 -0.06 0.24 0.00 0.17 -0.26 -0.01 0.22 0.04 -0.01 -0.27 -0.23 0.01 -0.22 -0.13 0.00 0.13 0.04 0.00 -0.03 -0.13 -0.00 -0.09 -0.12 -0.00 0.13 0.18 0.01 -0.14 0.05 -0.01 0.03 0.11 0.00 -0.12 -0.06 -0.01 0.10 -0.04 0.00 0.10 -0.11 0.00 0.05 -0.03 -0.00 0.00 0.01 -0.00 -0.01 -0.00 0.00 0.00 0.01 0.00 -0.01 -0.02 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.02 0.01 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.13 0.17 -0.00 -0.13 -0.22 0.00 0.12 0.12 -0.00 -0.17 -0.07 0.01 0.10 0.14 -0.00 -0.04 -0.07 0.00 0.14 0.37 0.00 0.21 -0.02 -0.01 -0.01 -0.18 -0.00 0.14 -0.18 0.00 -0.14 0.25 -0.00 -0.04 0.08 -0.00 0.12 -0.16 0.01 0.15 -0.38 0.00 0.12 -0.17 0.00 -0.19 0.08 -0.01 -0.01 0.22 0.00 0.25 0.03 0.01 -0.04 -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.04 0.04 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 0.01 -0.00 -0.00 -0.01 0.00 -0.00 0.01 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.23 0.12 -0.01 -0.17 -0.23 0.00 0.16 0.12 -0.01 -0.22 -0.08 0.01 0.13 0.20 -0.00 -0.07 -0.09 0.00 0.08 0.35 0.00 0.24 -0.03 -0.01 -0.02 -0.24 -0.00 -0.21 0.09 -0.00 0.14 -0.20 0.01 0.06 -0.08 0.00 -0.13 0.12 -0.01 -0.06 0.27 -0.00 -0.12 0.18 -0.00 0.20 -0.08 0.01 0.02 -0.23 -0.00 -0.23 -0.03 -0.01 -0.05 -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.04 -0.03 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.02 -0.00 0.22 -0.04 0.00 -0.07 0.17 -0.24 -0.08 0.14 0.24 0.01 -0.04 -0.00 0.15 0.26 0.45 -0.40 -0.07 0.01 0.13 0.32 -0.44 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.04 -0.00 0.40 -0.07 0.00 -0.13 0.32 -0.44 -0.15 0.26 0.45 -0.01 0.02 0.00 -0.08 -0.14 -0.24 0.22 0.04 -0.00 -0.07 -0.17 0.24 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 -0.02 0.05 -0.06 0.02 -0.04 -0.06 0.00 0.01 -0.09 0.19 0.35 0.57 -0.04 -0.01 -0.01 -0.16 -0.41 0.54 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.09 0.04 -0.01 -0.01 0.17 -0.41 0.54 -0.19 0.35 0.57 0.00 0.00 -0.01 0.02 0.04 0.06 -0.00 -0.00 -0.00 -0.02 -0.05 0.06 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.04 0.02 0.00 0.42 -0.07 0.00 0.03 -0.08 0.11 0.04 -0.08 -0.14 -0.08 -0.03 -0.00 0.08 0.14 0.25 0.76 0.13 -0.01 0.05 0.15 -0.21 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.02 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.08 0.03 0.00 0.76 -0.13 0.01 0.05 -0.15 0.21 0.07 -0.14 -0.25 0.04 0.02 0.00 -0.04 -0.08 -0.14 -0.43 -0.07 0.01 -0.03 -0.08 0.12 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.09 0.00 0.00 0.99 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.04 -0.01 0.00 0.00 -0.01 0.01 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.04 0.01 -0.00 0.00 0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 -0.00 0.04 0.02 0.00 -0.01 -0.07 -0.00 -0.49 -0.18 -0.02 0.12 0.84 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.08 0.03 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.01 0.01 0.00 0.00 -0.00 -0.00 0.84 -0.40 -0.04 -0.01 0.06 0.00 0.16 -0.06 -0.01 -0.00 0.00 -0.00 0.03 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.28 -0.13 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.02 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.00 -0.00 0.00 0.00 0.01 -0.03 -0.00 -0.07 0.03 0.00 0.00 -0.00 -0.00 -0.15 0.07 0.01 -0.06 0.41 0.00 0.83 -0.31 -0.03 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.03 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.03 -0.01 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.02 0.00 -0.07 -0.02 -0.00 -0.00 -0.05 -0.00 0.80 0.29 0.03 0.07 0.51 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.08 -0.00 0.04 -0.01 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.13 0.89 0.01 -0.39 0.14 0.01 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.06 -0.03 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.02 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.28 -0.13 -0.01 -0.01 0.06 0.00 -0.04 0.01 0.00 0.00 -0.00 0.00 -0.08 -0.04 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.85 0.40 0.04 0.00 0.00 0.00 0.00 0.00 0.00 -0.04 -0.02 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 27 6 6 6 6 6 7 1 1 1 6 6 7 6 1 6 6 1 1 6 9 9 9 6 9 9 9 6 1 6 8 6 8 6 1 1 1 6 1 1 1 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 27 6 6 6 6 6 7 1 1 1 6 6 7 6 1 6 6 1 1 6 9 9 9 6 9 9 9 6 1 6 8 6 8 6 1 1 1 6 1 1 1 58.93320 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 1.00783 12.00000 12.00000 14.00307 12.00000 1.00783 12.00000 12.00000 1.00783 1.00783 12.00000 18.99840 18.99840 18.99840 12.00000 18.99840 18.99840 18.99840 12.00000 1.00783 12.00000 15.99491 12.00000 15.99491 12.00000 1.00783 1.00783 1.00783 12.00000 1.00783 1.00783 1.00783 450.02132 0.99999 0.00266 -0.00184 -0.00264 0.99995 0.00962 0.00186 -0.00961 0.99995 asymmetric 1 0.00688 0.00590 0.00326 0.14339 0.12296 0.06788 755323.9 30.86 34.35 46.81 58.80 93.77 101.91 104.30 109.56 123.36 145.47 164.40 227.13 233.10 237.89 242.27 251.17 270.69 279.42 350.51 371.07 391.45 397.13 411.59 463.66 516.51 521.02 539.48 542.51 598.72 601.67 634.76 643.46 655.82 702.58 714.34 750.70 759.20 800.38 832.71 861.60 876.65 938.82 955.76 982.33 994.12 1012.38 1016.04 1022.87 1027.44 1112.01 1114.47 1156.46 1159.56 1188.94 1279.05 1287.64 1301.56 1348.56 1393.70 1412.55 1417.04 1492.04 1495.89 1497.39 1497.75 1511.05 1526.60 1532.22 1539.97 1596.98 1622.51 1638.78 1653.73 1680.76 1724.76 1729.18 1757.28 1762.97 1764.24 1878.00 1883.88 1900.56 1910.08 1915.43 1945.74 1957.18 1978.40 1989.06 1991.96 2053.70 2069.94 2070.36 2096.87 2113.28 2158.83 2162.13 2235.41 2240.02 2276.96 2389.79 2399.32 2406.23 2480.88 2491.37 4405.76 4406.00 4540.25 4540.41 4597.68 4597.83 4665.85 4671.10 4675.63 4678.20 4686.07 4694.99 4695.85 0.287688 0.312886 0.313831 0.229195 -2895.435249 -2895.410050 -2895.409106 -2895.493741 196.339 93.631 178.130 0.000 0.000 1.377 0.889 2.981 44.202 0.889 2.981 36.839 194.562 87.669 95.713 1 0.593 1.985 6.495 2 0.593 1.985 6.283 3 0.594 1.983 5.668 4 0.594 1.981 5.217 5 0.597 1.971 4.294 6 0.598 1.968 4.130 7 0.599 1.967 4.085 8 0.599 1.965 3.988 9 0.601 1.959 3.755 10 0.604 1.948 3.433 11 0.607 1.938 3.195 12 0.621 1.894 2.575 13 0.622 1.889 2.526 14 0.624 1.885 2.488 15 0.625 1.881 2.453 16 0.627 1.874 2.386 17 0.633 1.856 2.246 18 0.635 1.848 2.187 19 0.659 1.773 1.776 20 0.667 1.749 1.676 21 0.675 1.725 1.583 22 0.678 1.718 1.558 23 0.684 1.700 1.497 24 0.707 1.631 1.299 25 0.734 1.557 1.126 26 0.736 1.550 1.113 27 0.746 1.523 1.059 28 0.748 1.519 1.051 29 0.779 1.435 0.905 30 0.781 1.431 0.898 31 0.801 1.380 0.823 32 0.806 1.367 0.804 33 0.814 1.348 0.778 34 0.844 1.276 0.688 35 0.852 1.258 0.667 36 0.877 1.202 0.606 37 0.883 1.189 0.592 38 0.912 1.126 0.531 39 0.935 1.077 0.488 40 0.957 1.034 0.452 41 0.968 1.012 0.434 0.802829e+27 26.904623 61.950184 0.426400e+11 10.629817 24.476059 0.200000e+01 0.301030 0.693147 0.375235e+09 8.574304 19.743063 0.250884e+08 7.399472 17.037914 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 5.9204 -0.2086 0.0860 5.9247 -126.8502 -133.6284 -162.3015 -0.0341 -0.2571 1.2756 14.0765 7.2983 -21.3748 -0.0341 -0.2571 1.2756 163.9395 -5.5826 0.8281 83.8801 1.5588 0.4627 -11.1866 -1.7120 0.7104 0.5340 -7893.7286 -6835.4607 -297.6803 -10.8562 -7.4962 18.3267 28.5532 -7.3411 21.2165 -2660.4221 -1585.3269 -1269.0756 28.1300 -5.4364 1.3708 0 -2895.7229366 0.753899 0. 0.75001 1.005E-9 1.563E-5 0.2876877 0.3128865 -2895.4100501 -2895.4091059 -2895.4937414 10.4655603,5.426095,-15.8916553,-0.0253431,-0.1911154,0.9483743 C01 [X(C17H13Co1F6N2O2)] 2.3305602 -0.0825092 0.0360644 2.2688092 -0.0008777 -0.0011842 0.001139 1.0192999 0.0094648 -0.001369 -0.0034516 0.9460387 0.161263 0.5619731 0.0002515 -0.1346094 0.6654538 -0.0022112 -0.0028979 -0.0180049 0.1394801 -0.0670577 -0.3866484 -0.0048858 0.0141154 -0.8057974 -0.0031462 -0.0012371 0.0124708 -0.0650572 0.005798 -0.3385962 -0.0085115 -0.2066998 0.3765948 0.0108576 -0.0134619 0.0009894 -0.1312083 -0.4501798 0.5957933 0.0174653 -0.1524451 0.0006317 0.0059938 0.0158725 -0.0116821 -0.0585196 0.3461463 -0.4331719 -0.0176937 0.2814678 -0.3380918 -0.0142822 -0.0145209 0.014267 0.0778525 -0.4818031 -0.2483039 -0.0012557 -0.2382616 -0.2286844 0.0097721 0.0026346 0.0123208 -0.2987721 0.1125829 0.0449017 0.0012433 0.0352432 0.1431751 -0.0008622 0.0023088 0.0018374 0.1710606 0.151138 -0.012902 0.0002012 0.0114593 0.092573 -0.0014947 0.0014929 0.0003464 0.1668256 0.2089332 0.0873732 0.0006159 0.0417524 0.1840097 0.0028522 -0.0038957 -0.0021841 0.1356381 0.1794262 -0.5961938 0.0023015 0.1396832 0.7093747 -0.0034101 0.00391 -0.0211847 0.1459757 -0.0694053 0.4196675 0.0036459 -0.0335184 -0.8310308 -0.0021048 -0.0144015 0.017998 -0.0670082 -0.4926409 0.2500611 -0.0008779 0.2243189 -0.2058256 0.0091189 -0.0048339 0.0131952 -0.2977137 -0.0562583 0.3956459 0.0168699 0.1379194 0.4303126 -0.0012679 0.0563874 -0.0342901 -0.1256038 0.1209258 -0.054021 -0.0015193 -0.0300964 0.1481181 -0.0015864 0.0015212 0.0032102 0.1699844 0.331778 0.4467281 0.0180732 -0.2663541 -0.3619399 -0.0137533 0.0153246 0.0191472 0.0701992 -0.4386979 -0.588155 -0.0249143 0.1465421 -0.0002125 0.0068311 -0.0242865 0.0025386 -0.0594209 0.2075655 -0.0882901 -0.0012499 -0.0419076 0.1835712 0.0034212 0.0044481 -0.0041501 0.1376117 0.1432042 0.0191273 0.0008388 -0.0046705 0.0808213 0.0004174 -0.0030268 -0.0035766 0.1670342 2.4098364 0.4270569 -0.008175 0.2539296 2.3051941 -0.0058472 -0.0141923 -0.0176976 2.0428757 -0.8414045 -0.1505678 0.3613506 -0.0489656 -0.4692742 -0.0667253 0.3864163 -0.0177096 -0.8354893 -0.5101938 -0.0348022 0.0058367 0.0009456 -1.2251997 -0.0039263 0.0071437 -0.0006777 -0.3555197 -0.907368 -0.1467883 -0.3630537 -0.0438877 -0.4703876 0.0696137 -0.3792143 0.03373 -0.7731582 2.3911028 -0.3709061 -0.0039807 -0.317373 2.341722 0.0021943 0.0424207 -0.0434254 2.0436923 -1.1084973 -0.1383473 0.1017883 -0.170513 -0.5826994 0.0543518 0.086082 0.0634499 -0.375383 -0.5141571 0.1396915 0.008498 0.1757039 -0.9732393 -0.3641748 0.0094395 -0.3869228 -0.661934 -0.5581985 0.2000311 -0.1031847 0.2246335 -0.6809857 0.3095511 -0.1597996 0.3810264 -0.9307916 -0.4391632 -0.0012889 -0.0007174 -0.0018193 -2.539143 -0.1711993 -0.0001267 -0.1799181 -0.4935037 -0.0594252 0.0000667 0.0008612 0.0001094 0.1087621 -0.0078563 0.0009198 -0.0054229 0.2053526 1.9553556 -0.9714116 -0.0958837 -0.2457014 2.2097749 0.154243 -0.0480538 0.1527301 0.3486888 -2.3926845 0.6540801 0.059597 -0.2162105 -0.9212471 -0.0399359 -0.0091465 -0.0418049 -0.4779448 1.9575259 0.9732894 0.0875982 0.2476759 2.2092698 0.1527061 0.0364764 0.1461009 0.3477056 -2.3938667 -0.6532554 -0.0504409 0.217151 -0.9202799 -0.0402891 0.0203139 -0.0363272 -0.4769289 -0.0887011 -0.0712764 -0.0049973 -0.2285355 -0.4318886 -0.0240334 -0.0063687 -0.0037583 -0.0702505 -0.1050818 -0.03371 -0.0062702 0.0214318 0.0388115 -0.0054628 -0.0040469 -0.0089007 0.1167503 0.056888 -0.0268114 -0.0656212 -0.0201323 0.0194136 0.0620533 -0.0470306 0.082944 0.0265339 0.0513219 -0.0277117 0.0660756 -0.0198861 0.0464513 -0.0605364 0.0419432 -0.092859 0.0109207 -0.0882074 0.0703801 0.004802 0.2275637 -0.4320441 -0.0255092 0.007143 -0.0056543 -0.0704576 0.0507042 0.0272326 -0.0664026 0.0196863 0.0463097 -0.0604776 -0.0423544 -0.0926047 0.0116105 -0.1048674 0.0338027 0.0073804 -0.0211907 0.0388407 -0.0052325 0.0051826 -0.0089984 0.116747 0.0575548 0.0271346 0.0655253 0.0203064 0.0194859 0.0618828 0.0468836 0.0829036 0.0260868 364.2340724|0.101343|408.2212985|-0.1867076|6.186133|147.9765643 0.000010773 0.000010100 0.000005311 0.000005410 0.000001828 -0.000008548 -0.000001568 -0.000000272 -0.000013871 -0.000002631 0.000004202 -0.000030149 0.000003088 -0.000004060 -0.000033750 0.000001451 0.000003042 -0.000025383 -0.000007011 -0.000010919 -0.000008777 0.000002379 -0.000002654 -0.000013431 0.000002753 -0.000000526 -0.000042267 0.000002254 0.000001285 -0.000026967 0.000007212 -0.000003648 0.000004901 -0.000005341 0.000000966 0.000012932 -0.000000947 -0.000000504 0.000009512 -0.000003618 -0.000003331 0.000026057 -0.000000028 -0.000001163 0.000008670 -0.000007178 0.000001145 0.000027919 0.000001806 0.000000360 0.000031052 -0.000001246 -0.000000790 0.000026433 -0.000003326 -0.000001492 0.000042305 0.000009910 -0.000008881 -0.000030825 -0.000002973 -0.000016082 -0.000031750 0.000003529 -0.000004127 -0.000047007 0.000001522 0.000008166 -0.000037690 -0.000001921 -0.000000972 0.000021910 -0.000004304 -0.000006101 0.000028090 -0.000002575 -0.000006361 0.000047360 -0.000001646 0.000006276 0.000044287 -0.000001604 0.000007323 0.000003406 0.000000217 0.000003207 0.000002241 0.000008615 -0.000001566 0.000013886 -0.000011350 0.000000584 0.000004214 -0.000001337 -0.000000149 -0.000011206 0.000001029 0.000000646 -0.000013856 -0.000003557 0.000000589 0.000025836 -0.000001290 0.000001848 0.000023425 -0.000001943 0.000008585 0.000030751 -0.000002009 -0.000007429 0.000029695 0.000001987 0.000005871 -0.000021405 0.000002081 0.000013000 -0.000026564 0.000001377 0.000005625 -0.000019377 0.000002011 -0.000003618 -0.000027371 437.1177191999997 AuxInfo=1/0/N:5,17,6,16,3,12,4,14,2,11,20,24,21,22,23,25,26,27,7,13;34,38,28,30,32,31,33;1/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14,15,16,17,18)(19,20);(1,2)(4,5)(6,7);/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,19-1,20-1;3.3,4.3,5.3,6-1,7-1;/rA:41nCoC3C3C3C3C3NHHHC3C3NC3HC3C3HHCFFFCFFFC3HC3OC3OCHHHCHHH/rB:;s2;s3;s4;s5;s1s2s6;s3;s5;s6;s2;s11;s1s11;s12;s12;s13;s14s16;s16;s17;s4;s20;s20;s20;s14;s24;s24;s24;;s28;s28;s1s30;s28;s1s32;s30;s34;s34;s34;s32;s38;s38;s38;/rC:1.828,-.0088,.0071;-.8747,-.7476,.005;-2.018,-1.5334,.0436;-1.8678,-2.9196,.034;-.5983,-3.4786,-.0192;.4981,-2.6224,-.0532;.3561,-1.2981,-.0388;-3.0083,-1.0792,.0865;-.4438,-4.557,-.029;1.5228,-2.9952,-.0906;-.8731,.7317,.0138;-2.019,1.5186,-.0254;.3558,1.2804,.0556;-1.8694,2.9012,-.0198;-3.0073,1.0626,-.0659;.4985,2.6072,.0684;-.5962,3.461,.0331;1.5236,2.9787,.1056;-.4419,4.5405,.0415;-3.1084,-3.7836,.0849;-3.8139,-3.539,1.1924;-2.819,-5.0827,.0691;-3.9068,-3.5334,-.9563;-3.0794,3.8061,-.1066;-4.2157,3.1473,.1181;-3.0052,4.8002,.7799;-3.1691,4.3604,-1.3189;5.0496,-.0107,-.0013;6.1392,-.0112,-.0051;4.3869,1.2215,.1096;3.1222,1.3604,.134;4.3851,-1.2423,-.1072;3.1201,-1.3797,-.123;5.1744,2.4951,.205;6.2568,2.3197,.2147;4.9184,3.1383,-.6514;4.8815,3.0355,1.118;5.1702,-2.517,-.2075;4.8713,-3.0564,-1.1192;6.2528,-2.3432,-.2233;4.918,-3.1604,.6499;/R:/0/N:34,38,5,17,6,16,28,3,12,30,32,4,14,2,11,20,24,1,21,22,23,25,26,27,7,13,31,33/E:(1,2)(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)(16,17)(19,20,21,22,23,24)(25,26)(27,28)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,18.4 Gaussian 16 31-Oct-2024 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 117 C1[X(C17H13CoF6N2O2)] UwB97XD def2TZVPP SP #p wB97xD/Def2TZVPP scrf(smd,solvent=acetonitrile) scf=(XQC)geom=allcheck guess=read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 437.1177191999997 AuxInfo=1/0/N:5,17,6,16,3,12,4,14,2,11,20,24,21,22,23,25,26,27,7,13;34,38,28,30,32,31,33;1/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14,15,16,17,18)(19,20);(1,2)(4,5)(6,7);/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,19-1,20-1;3.3,4.3,5.3,6-1,7-1;/rA:41nCoC3C3C3C3C3NHHHC3C3NC3HC3C3HHCFFFCFFFC3HC3OC3OCHHHCHHH/rB:;s2;s3;s4;s5;s1s2s6;s3;s5;s6;s2;s11;s1s11;s12;s12;s13;s14s16;s16;s17;s4;s20;s20;s20;s14;s24;s24;s24;;s28;s28;s1s30;s28;s1s32;s30;s34;s34;s34;s32;s38;s38;s38;/rC:1.828,-.0089,.0071;-.8747,-.7476,.005;-2.018,-1.5334,.0436;-1.8678,-2.9196,.034;-.5983,-3.4786,-.0192;.4981,-2.6224,-.0532;.3561,-1.2981,-.0388;-3.0083,-1.0792,.0865;-.4438,-4.557,-.029;1.5228,-2.9952,-.0906;-.8731,.7317,.0138;-2.019,1.5186,-.0254;.3558,1.2804,.0556;-1.8694,2.9012,-.0198;-3.0073,1.0626,-.0659;.4985,2.6072,.0684;-.5962,3.461,.0331;1.5236,2.9787,.1056;-.4419,4.5405,.0415;-3.1084,-3.7836,.0849;-3.8139,-3.539,1.1924;-2.819,-5.0827,.0691;-3.9068,-3.5334,-.9563;-3.0794,3.8061,-.1066;-4.2157,3.1473,.1181;-3.0052,4.8002,.7799;-3.1691,4.3604,-1.3189;5.0496,-.0107,-.0013;6.1392,-.0112,-.005;4.3869,1.2215,.1096;3.1222,1.3604,.134;4.3851,-1.2423,-.1072;3.1201,-1.3797,-.123;5.1744,2.4951,.205;6.2568,2.3197,.2147;4.9184,3.1383,-.6514;4.8815,3.0355,1.118;5.1702,-2.517,-.2075;4.8713,-3.0564,-1.1192;6.2528,-2.3432,-.2233;4.918,-3.1604,.6499;/R:/0/N:34,38,5,17,6,16,28,3,12,30,32,4,14,2,11,20,24,1,21,22,23,25,26,27,7,13,31,33/E:(1,2)(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)(16,17)(19,20,21,22,23,24)(25,26)(27,28)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,18.4 chk=CoII_acac.chk Mem=57428MB NProc=16 #p wB97xD/Def2TZVPP scrf(smd,solvent=acetonitrile) scf=(XQC) geom=allc 1/29=7,38=1,172=1/1 2/12=2,40=1/2 3/5=44,7=202,11=2,14=-4,25=1,30=1,70=32201,72=2,74=-58,116=-2/1,2,3 4/5=1/1 5/5=2,8=3,13=1,38=6,53=2/2,8 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 coments Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 59 12 12 12 12 12 14 1 1 1 12 12 14 12 1 12 12 1 1 12 19 19 19 12 19 19 19 12 1 12 16 12 16 12 1 1 1 12 1 1 1 58.9331978 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 14.0030740 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 14.0030740 12.0000000 1.0078250 12.0000000 12.0000000 1.0078250 1.0078250 12.0000000 18.9984032 18.9984032 18.9984032 12.0000000 18.9984032 18.9984032 18.9984032 12.0000000 1.0078250 12.0000000 15.9949146 12.0000000 15.9949146 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 7 0 0 0 0 0 2 1 1 1 0 0 2 0 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 0 0 0 0 0 1 1 1 0 1 1 1 25.3800000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 4.5500000 1.0000000 1.0000000 1.0000000 3.6000000 3.6000000 4.5500000 3.6000000 1.0000000 3.6000000 3.6000000 1.0000000 1.0000000 3.6000000 6.7500000 6.7500000 6.7500000 3.6000000 6.7500000 6.7500000 6.7500000 3.6000000 1.0000000 3.6000000 5.6000000 3.6000000 5.6000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/CompChem/Gaussian/g16/l101.exe) Structure from the checkpoint file: "CoII_acac.chk" def2TZVPP (5D, 7F) 0.10000e-02 0.10000e-05 F 1247 A 1083 A 1083 1728 1247 113 112 3205.3582736085 41 41 41 1.00e+00 60 F IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX= 1.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=121 Grimme-D2 -0.0299294572 PCM SMD-Coulomb. Total charges None On-the-fly selection Acetonitrile 35.688000 1.806874 0.000000 2.801898 0.000000 4.137366 1.387850 0.000000 4.704490 2.388432 1.394364 0.000000 4.234070 2.745097 2.409043 1.388109 0.000000 2.933057 2.324407 2.743408 2.386087 1.391596 0.000000 1.957229 1.349046 2.387213 2.753246 2.380376 1.331963 0.000000 4.954017 2.160754 1.090317 2.165792 3.402426 3.833537 3.373884 0.000000 5.084115 3.833888 3.409704 2.170951 1.089464 2.151880 3.355689 4.322696 0.000000 3.003478 3.287688 3.833063 3.393711 2.176703 1.091037 2.060091 4.922745 2.512066 0.000000 2.800844 1.479325 2.538177 3.784409 4.219425 3.624173 2.373570 2.800665 5.306309 4.431819 0.000000 4.139275 2.538844 3.052729 4.441132 5.195215 4.846021 3.684396 2.782028 6.276481 5.737801 1.390567 0.000000 1.957520 2.372672 3.681410 4.752357 4.854319 3.906879 2.580204 4.109282 5.892542 4.434382 1.346533 2.388105 0.000000 4.705352 3.782019 4.437513 5.821031 6.505213 6.009669 4.752609 4.141475 7.593264 6.802897 2.387555 1.390697 2.753993 0.000000 4.953155 2.798156 2.780237 4.143221 5.140817 5.085964 4.109267 2.147205 6.176834 6.081766 2.161141 1.089180 3.372366 2.162701 0.000000 2.935107 3.625509 4.845410 6.012141 6.184482 5.230956 3.909314 5.088002 7.226559 5.697428 2.324183 2.744415 1.334486 2.387797 3.833365 0.000000 4.232862 4.217863 5.192818 6.506042 6.939799 6.181583 4.853923 5.141440 8.019687 6.796117 2.743346 2.408470 2.379438 1.391885 3.402278 1.388755 0.000000 3.004681 4.432575 5.736414 6.804199 6.798234 5.696437 4.435663 6.083231 7.789514 5.977147 3.286633 3.833962 2.061695 3.396251 4.922416 1.090967 2.175155 0.000000 5.084329 5.305887 6.275034 7.595128 8.020876 7.224903 5.893401 6.178128 9.097790 7.788702 3.833213 3.409339 3.356310 2.174590 4.323007 2.150103 1.090516 2.511275 0.000000 6.214763 3.770040 2.500843 1.512695 2.530648 3.791360 4.265687 2.706297 2.776932 4.701093 5.038828 5.414088 6.135646 6.799477 4.849634 7.338438 7.668001 8.196687 8.740881 0.000000 6.760098 4.223863 2.927055 2.348030 3.436829 4.581007 4.891538 2.814751 3.726447 5.515677 5.317579 5.503104 6.473500 6.835710 4.838278 7.591884 7.790893 8.494234 8.830275 1.335786 0.000000 6.880576 4.751544 3.638626 2.363242 2.740810 4.131731 4.941266 4.007984 2.434686 4.820192 6.131590 6.650204 7.111141 8.040615 6.149626 8.374944 8.828134 9.156744 9.912434 1.330963 2.152836 0.000000 6.799932 4.228282 2.926990 2.348405 3.439072 4.587918 4.900109 2.813845 3.728351 5.524480 5.323099 5.472900 6.508967 6.814071 4.767063 7.626506 7.801289 8.545466 8.842414 1.335720 2.150720 2.152905 0.000000 6.216868 5.060526 5.445994 6.835377 7.696118 7.357061 6.153027 4.889601 8.768930 8.212033 3.786010 2.522650 4.266868 1.513391 2.744729 3.777522 2.510973 4.681578 2.741809 7.592186 7.495163 8.894290 7.434659 0.000000 6.819117 5.132753 5.171471 6.505925 7.550312 7.452420 6.378682 4.395687 8.579394 8.408569 4.125386 2.738421 4.938439 2.363164 2.416633 4.745351 3.634084 5.741801 4.023456 7.018924 6.783996 8.347793 6.773566 1.332535 0.000000 6.861815 5.993123 6.452212 7.838722 8.658572 8.249975 7.011271 5.920152 9.735161 9.056973 4.656755 3.519982 4.920394 2.352813 3.832113 4.194277 2.855644 4.927742 2.680134 8.612563 8.388517 9.910160 8.560128 1.334007 2.152973 0.000000 6.769081 5.754037 6.157799 7.518145 8.351588 7.988122 6.788570 5.620554 9.413422 8.810659 4.496153 3.327495 4.878645 2.346543 3.531571 4.295378 3.042520 5.095088 3.052960 8.264395 8.314089 9.550976 7.936492 1.336089 2.152226 2.150607 0.000000 3.221570 5.969969 7.229933 7.504194 6.627660 5.247801 4.866969 8.128922 7.130677 4.620962 5.969087 7.232153 4.868426 7.506829 8.128322 5.250732 6.627856 4.623942 7.132466 8.988600 9.614374 9.361854 9.671534 8.981058 9.789433 9.414626 9.401597 0.000000 4.311192 7.052487 8.298196 8.518930 7.577450 6.216306 5.924633 9.210120 8.000026 5.497514 7.051602 8.300404 5.926157 8.521775 9.209522 6.219192 7.577788 5.500527 8.001966 9.987855 10.627538 10.294396 10.688001 9.978207 10.826611 10.362737 10.367364 1.089622 0.000000 2.841150 5.618996 6.972602 7.501705 6.852767 5.470330 4.755792 7.744892 7.532974 5.101319 5.283675 6.414220 4.031888 6.479223 7.398015 4.128122 5.463751 3.359559 5.859900 9.012847 9.544058 9.574398 9.619307 7.903984 8.815565 8.240174 8.305872 1.403459 2.145486 0.000000 1.888385 4.520625 5.899553 6.574871 6.105955 4.773239 3.840434 6.598313 6.910802 4.645432 4.046308 5.146114 2.768663 5.226310 6.140014 2.905574 4.271882 2.274932 4.777502 8.079880 8.557764 8.764471 8.633994 6.670773 7.552375 7.056537 7.119833 2.369199 3.317064 1.272548 0.000000 2.841306 5.284230 6.411531 6.475490 5.462942 4.125081 4.029952 7.397763 5.857607 3.356451 5.617849 6.974330 4.756617 7.503014 7.743496 5.473060 6.852251 5.103963 7.534103 7.915035 8.613268 8.165705 8.644436 9.011360 9.658832 9.587249 9.482866 1.403386 2.145422 2.473262 2.902956 0.000000 1.888307 4.046572 5.143155 5.222551 4.271197 2.902408 2.766488 6.139384 4.775488 2.272046 4.519166 5.900848 3.840497 6.575145 6.596471 4.775414 6.104713 4.647293 6.911161 6.679541 7.380651 7.001555 7.396667 8.082499 8.623595 8.747939 8.598495 2.368931 3.316869 2.902599 2.752186 1.272527 0.000000 4.184125 6.866333 8.245329 8.884827 8.310234 6.937049 6.137034 8.930064 9.019462 6.600352 6.302240 7.262981 4.971522 7.059071 8.310534 4.679148 5.853332 3.683983 5.979378 10.394279 10.870853 11.015218 10.961717 8.363023 9.413082 8.517592 8.684188 2.517404 2.693829 1.500443 2.346012 3.832555 4.397935 0.000000 5.007897 7.765989 9.129521 9.669095 8.981533 7.593289 6.926063 9.869707 9.604467 7.124020 7.307373 8.317923 5.993888 8.150380 9.353197 5.767270 6.949724 4.780088 7.059378 11.179169 11.691874 11.712636 11.786800 9.459226 10.505586 9.605057 9.765463 2.633391 2.344178 2.171059 3.279043 4.036627 4.861924 1.096598 0.000000 4.459698 7.006550 8.391802 9.122540 8.638200 7.285787 6.393089 9.009174 9.399938 7.033118 6.306844 7.151432 4.976838 6.821292 8.213912 4.509483 5.566261 3.481834 5.583842 10.624749 11.146338 11.312447 11.067500 8.044102 9.166470 8.221565 8.206522 3.218134 3.439156 2.129795 2.646535 4.446390 4.891422 1.101206 1.792109 0.000000 4.452605 6.977416 8.344599 9.065918 8.588109 7.252393 6.371576 8.957879 9.344533 7.007903 6.296196 7.157143 4.968950 6.847434 8.217458 4.527159 5.600238 3.507623 5.635820 10.554900 10.901382 11.238428 11.166339 8.091275 9.152636 8.088773 8.515037 3.249723 3.482200 2.133597 2.620879 4.477386 4.912909 1.100667 1.794405 1.772809 0.000000 4.184115 6.302122 7.259540 7.053594 5.851141 4.675792 4.968837 8.309123 5.975754 3.680440 6.864735 8.246393 6.137377 8.885280 8.927743 6.939556 8.309327 6.602938 9.020309 8.379990 9.149783 8.395584 9.164364 10.394564 10.967456 11.016062 10.866372 2.517655 2.694269 3.832787 4.398333 1.500450 2.345906 5.029078 4.975202 5.678333 5.715849 0.000000 4.451749 6.293786 7.150886 6.838431 5.595128 4.522143 4.964496 8.212924 5.629416 3.503486 6.973703 8.342871 6.370090 9.063108 8.952575 7.253143 8.584754 7.009338 9.342974 8.102736 9.000575 8.041056 8.792609 10.551469 11.072102 11.285981 10.940677 3.249298 3.481718 4.477181 4.913126 2.133499 2.621189 5.715344 5.709783 6.212599 6.489783 1.100688 0.000000 5.008084 7.307507 8.314670 8.145071 6.947575 5.763957 5.991422 9.352114 7.055663 4.776559 7.764673 9.130986 6.926945 9.670363 9.867809 7.596240 8.981248 7.127182 9.605984 9.476358 10.235885 9.480894 10.255321 11.176640 11.825898 11.736515 11.615145 2.633929 2.344963 4.037241 4.862638 2.171137 3.279030 4.975543 4.683439 5.657864 5.710566 1.096597 1.794377 0.000000 4.460200 6.308195 7.150080 6.817954 5.565893 4.507702 4.975282 8.214359 5.582121 3.478961 7.006453 8.394681 6.394320 9.124737 9.008696 7.289353 8.638823 7.036143 9.402278 8.070365 8.756987 7.993366 8.977575 10.633090 11.112818 11.232357 11.217872 3.218984 3.440583 4.446871 4.891714 2.129869 2.645848 5.678774 5.657995 6.431753 6.213675 1.101198 1.772771 1.792165 0.000000 C17H13CoF6N2O2(1+,2) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 437.1177191999997 AuxInfo=1/0/N:5,17,6,16,3,12,4,14,2,11,20,24,21,22,23,25,26,27,7,13;34,38,28,30,32,31,33;1/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14,15,16,17,18)(19,20);(1,2)(4,5)(6,7);/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,19-1,20-1;3.3,4.3,5.3,6-1,7-1;/rA:41nCoC3C3C3C3C3NHHHC3C3NC3HC3C3HHCFFFCFFFC3HC3OC3OCHHHCHHH/rB:;s2;s3;s4;s5;s1s2s6;s3;s5;s6;s2;s11;s1s11;s12;s12;s13;s14s16;s16;s17;s4;s20;s20;s20;s14;s24;s24;s24;;s28;s28;s1s30;s28;s1s32;s30;s34;s34;s34;s32;s38;s38;s38;/rC:1.8287,-.0042,.0052;-.872,-.7502,.0021;-2.0132,-1.5393,.0368;-1.8592,-2.925,.0166;-.5884,-3.4802,-.0428;.5057,-2.6208,-.0723;.3602,-1.297,-.0478;-3.0046,-1.0881,.0847;-.4309,-4.5581,-.0609;1.5313,-2.9906,-.1142;-.8744,.729,.0219;-2.0224,1.513,-.0096;.3532,1.2807,.0657;-1.8765,2.896,.006;-3.0095,1.0547,-.0518;.4924,2.6077,.0881;-.6047,3.4588,.0609;1.5165,2.9817,.1263;-.4533,4.5386,.0771;-3.0974,-3.7927,.0631;-3.8018,-3.5582,1.1737;-2.8046,-5.0908,.0372;-3.8983,-3.5369,-.9748;-3.089,3.7982,-.072;-4.2232,3.1348,.1496;-3.016,4.786,.8216;-3.1823,4.3613,-1.2801;5.0503,.0026,-.0086;6.1399,.0051,-.0141;4.3845,1.2322,.1126;3.1195,1.3675,.1401;4.3889,-1.2299,-.1225;3.1243,-1.3706,-.1372;5.1687,2.5072,.2161;6.2516,2.3346,.2227;4.9096,3.156,-.6351;4.8759,3.04,1.1336;5.1772,-2.5018,-.2336;4.8783,-3.0352,-1.1488;6.2593,-2.325,-.2499;4.9282,-3.1522,.6194;/R:/0/N:34,38,5,17,6,16,28,3,12,30,32,4,14,2,11,20,24,1,21,22,23,25,26,27,7,13,31,33/E:(1,2)(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)(16,17)(19,20,21,22,23,24)(25,26)(27,28)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,18.4 0.1433855 0.1229557 0.0678794 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 1189 1189 1189 1189 1189 MxSgAt= 41 MxSgA2= 41. 1 open 1 1 1 -2896.86168823676 -2896.95537023828 -0.093682001514 -2897.62605340153 -0.670683163252 -2897.62848308376 -0.002429682229 -2897.62890666023 -0.000423576466 -2897.62897186849 -0.000065208261 -2897.62903679403 -0.000064925547 -2897.62904110963 -0.000004315596 -2897.62904165059 -0.000000540961 -2897.62904180070 -0.000000150106 -2897.62904191704 -0.000000116346 -2897.62904203827 -0.000000121225 -2897.62904216181 -0.000000123541 -2897.62904220721 -0.000000045397 -2897.62904221776 -0.000000010557 -2897.62904222461 -0.000000006850 -2897.62904223151 -0.000000006897 -2897.62904224500 -0.000000013491 -2897.62904226526 -0.000000020257 -2897.62904227853 -0.000000013274 -2897.62904228090 -0.000000002367 -2897.62904228106 -0.000000000164 -2897.62904228116 -0.000000000095 -2897.62904228119 -0.000000000031 -2897.62904228111 0.000000000080 -2897.62904228109 0.000000000015 -2897.62904228103 0.000000000066 -2897.62904228114 -0.000000000108 -2897.62904228106 0.000000000077 -2897.62904228119 -0.000000000132 -2897.62904228 30 0.7543 2.888792236904e+03 -1.323910988540e+04 4.247361626779e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 7527202816 LenX= 7524061508 LenY= 7522505252 Requested convergence on RMS density matrix=1.00D-08 within 32 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. 0.7543 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 Co C C C C C N H H H C C N C H C C H H C F F F C F F F C H C O C O C H H H C H H H 59 13 13 13 13 13 14 1 1 1 13 13 14 13 1 13 13 1 1 13 19 19 19 13 19 19 19 13 1 13 17 13 17 13 1 1 1 13 1 1 1 0.40568 0.00020 -0.00000 -0.00011 -0.00027 -0.00052 -0.01251 -0.00007 -0.00004 -0.00005 0.00019 0.00000 -0.01251 -0.00012 -0.00007 -0.00051 -0.00028 -0.00005 -0.00004 0.00010 -0.00008 0.00000 -0.00008 0.00010 -0.00000 -0.00004 -0.00009 0.00125 0.00004 -0.00006 -0.00398 -0.00006 -0.00398 -0.00094 -0.00006 -0.00003 -0.00002 -0.00094 -0.00002 -0.00006 -0.00003 429.16986 0.22791 -0.00347 -0.12918 -0.30827 -0.57973 -4.04242 -0.29223 -0.16176 -0.24244 0.21235 0.00299 -4.04052 -0.13177 -0.29264 -0.57683 -0.31277 -0.24332 -0.16350 0.11509 -0.32419 0.01090 -0.32295 0.11662 -0.00621 -0.16977 -0.36515 1.40082 0.20093 -0.07227 2.41495 -0.07015 2.41428 -1.05633 -0.24725 -0.12112 -0.07377 -1.05737 -0.07444 -0.24738 -0.12010 153.13848 0.08132 -0.00124 -0.04609 -0.11000 -0.20686 -1.44244 -0.10428 -0.05772 -0.08651 0.07577 0.00107 -1.44176 -0.04702 -0.10442 -0.20583 -0.11161 -0.08682 -0.05834 0.04107 -0.11568 0.00389 -0.11524 0.04161 -0.00222 -0.06058 -0.13029 0.49985 0.07170 -0.02579 0.86171 -0.02503 0.86147 -0.37693 -0.08822 -0.04322 -0.02632 -0.37730 -0.02656 -0.08827 -0.04286 143.15566 0.07602 -0.00116 -0.04309 -0.10283 -0.19338 -1.34841 -0.09748 -0.05396 -0.08087 0.07083 0.00100 -1.34777 -0.04395 -0.09761 -0.19241 -0.10433 -0.08116 -0.05454 0.03839 -0.10814 0.00363 -0.10773 0.03890 -0.00207 -0.05663 -0.12180 0.46726 0.06702 -0.02411 0.80554 -0.02340 0.80532 -0.35235 -0.08247 -0.04040 -0.02461 -0.35270 -0.02483 -0.08252 -0.04006 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 -1.385258 0.011844 0.002220 0.002599 -0.001064 -0.000494 -0.002351 0.002220 -0.000523 -0.005582 0.012004 0.002221 -0.002255 0.002621 0.002227 -0.000511 -0.001064 -0.005548 -0.000514 0.000544 0.000060 0.000209 0.000031 0.000549 0.000635 0.000361 0.000334 0.009345 0.003546 0.008678 0.019793 0.008728 0.019861 0.001574 0.001392 0.000762 0.000715 0.001584 0.000720 0.001401 0.000788 -1.561638 -0.003946 -0.001894 0.001654 0.001156 0.008551 0.002902 -0.001127 0.001524 0.010376 -0.003900 -0.001910 0.002776 0.001644 -0.001134 0.008384 0.001111 0.010337 0.001517 0.000082 0.000148 0.000318 0.000152 0.000078 -0.000101 -0.000106 -0.000106 -0.006319 -0.001902 -0.001005 -0.027960 -0.001060 -0.028053 -0.000541 -0.000382 0.000729 0.000616 -0.000554 0.000598 -0.000394 0.000709 2.946897 -0.007898 -0.000326 -0.004253 -0.000092 -0.008056 -0.000551 -0.001093 -0.001001 -0.004795 -0.008104 -0.000310 -0.000521 -0.004265 -0.001093 -0.007874 -0.000047 -0.004789 -0.001003 -0.000626 -0.000208 -0.000526 -0.000183 -0.000627 -0.000535 -0.000256 -0.000228 -0.003025 -0.001644 -0.007673 0.008167 -0.007668 0.008192 -0.001033 -0.001010 -0.001491 -0.001331 -0.001030 -0.001318 -0.001007 -0.001497 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 -0.001130 0.006098 0.001753 0.001982 0.002042 0.006571 0.009594 0.000746 0.001318 0.001772 -0.006019 -0.001721 -0.009623 -0.001972 -0.000729 -0.006601 -0.002069 -0.001842 -0.001329 0.000859 0.000459 0.000686 0.000447 -0.000858 -0.000596 -0.000498 -0.000300 0.000031 0.000012 0.006782 0.000075 -0.006735 0.000090 0.001505 0.001454 0.002368 0.002280 -0.001495 -0.002276 -0.001446 -0.002369 0.013345 0.000139 0.000095 -0.000190 0.000128 0.000120 0.001549 -0.000049 0.000030 0.000081 -0.000237 -0.000108 -0.001591 0.000216 0.000033 -0.000164 -0.000131 -0.000079 -0.000031 -0.000008 -0.000040 -0.000011 0.000068 0.000014 -0.000125 -0.000112 0.000008 -0.000044 -0.000023 0.000365 -0.000715 -0.000504 0.000674 0.000136 0.000131 -0.000437 0.000807 -0.000155 -0.000827 -0.000151 0.000419 -0.358727 -0.000044 -0.000027 0.000052 0.000041 0.000707 0.000910 -0.000013 0.000044 0.000665 -0.000010 -0.000008 0.000983 0.000015 -0.000009 0.000728 0.000053 0.000674 0.000048 -0.000005 -0.000077 -0.000002 0.000069 -0.000009 0.000006 0.000140 0.000061 -0.000148 -0.000021 0.000559 -0.005230 0.000599 -0.005269 0.000059 0.000060 -0.000305 0.000648 0.000066 0.000663 0.000072 -0.000284 4.0E-4 0.9969 0.0788 1.0 -1.0E-4 -0.0031 0.0031 -0.0788 0.9969 -1.59 -1.3853 2.9753 -200.784 -174.934 375.719 -71.645 -62.421 134.066 -66.974 -58.352 125.326 1 Co 59 -0.0199 0.0417 0.9989 -0.3223 0.9455 -0.0459 0.9464 0.3229 0.0054 -0.0079 -0.006 0.0139 -1.06 -0.808 1.869 -0.378 -0.288 0.667 -0.354 -0.27 0.623 2 C 13 -0.3459 0.9379 0.0264 -0.0143 -0.0335 0.9993 0.9382 0.3453 0.025 -0.0025 -3.0E-4 0.0029 -0.341 -0.044 0.385 -0.122 -0.016 0.137 -0.114 -0.015 0.128 3 C 13 0.0335 -0.0201 0.9992 -0.6185 0.785 0.0365 0.7851 0.6192 -0.0139 -0.0043 1.0E-4 0.0042 -0.572 0.013 0.559 -0.204 0.005 0.199 -0.191 0.004 0.186 4 C 13 0.8592 -0.5099 -0.0407 0.0141 -0.0559 0.9983 0.5114 0.8584 0.0408 -0.0023 -1.0E-4 0.0024 -0.306 -0.012 0.319 -0.109 -0.004 0.114 -0.102 -0.004 0.106 5 C 13 0.0317 -0.0549 0.998 0.8849 -0.4626 -0.0536 0.4646 0.8848 0.0339 -0.0081 -0.0039 0.012 -1.086 -0.528 1.614 -0.387 -0.189 0.576 -0.362 -0.176 0.538 6 C 13 0.7965 -0.5999 -0.075 -0.0309 -0.1643 0.9859 0.6038 0.783 0.1494 -0.0097 -8.0E-4 0.0105 -0.375 -0.029 0.404 -0.134 -0.01 0.144 -0.125 -0.01 0.135 7 N 14 -0.2079 0.9781 0.0139 0.0171 -0.0106 0.9998 0.978 0.2081 -0.0146 -0.0013 -0.0011 0.0024 -0.686 -0.584 1.27 -0.245 -0.208 0.453 -0.229 -0.195 0.423 8 H 1 0.8976 -0.4387 -0.0434 0.0316 -0.034 0.9989 0.4397 0.898 0.0166 -0.0012 -0.001 0.0022 -0.624 -0.535 1.158 -0.223 -0.191 0.413 -0.208 -0.178 0.386 9 H 1 0.994 -0.1087 -0.0082 0.0034 -0.0441 0.999 0.1089 0.9931 0.0435 -0.0058 -0.0048 0.0106 -3.082 -2.574 5.655 -1.1 -0.918 2.018 -1.028 -0.858 1.886 10 H 1 0.0218 0.0335 0.9992 0.3177 0.9474 -0.0387 0.9479 -0.3183 -0.01 -0.0081 -0.0059 0.014 -1.088 -0.794 1.882 -0.388 -0.283 0.672 -0.363 -0.265 0.628 11 C 13 0.3407 0.94 0.0198 0.0228 -0.0293 0.9993 0.9399 -0.34 -0.0314 -0.0025 -3.0E-4 0.0028 -0.34 -0.042 0.382 -0.121 -0.015 0.136 -0.113 -0.014 0.127 12 C 13 0.7933 0.6045 0.0725 0.0387 -0.1689 0.9849 -0.6076 0.7785 0.1574 -0.0097 -8.0E-4 0.0105 -0.375 -0.029 0.404 -0.134 -0.01 0.144 -0.125 -0.01 0.135 13 N 14 -0.0354 -0.0143 0.9993 0.6149 0.7879 0.033 0.7878 -0.6156 0.0191 -0.0043 1.0E-4 0.0042 -0.573 0.014 0.559 -0.205 0.005 0.2 -0.191 0.005 0.187 14 C 13 0.2031 0.9791 0.0115 -0.012 -0.0093 0.9999 0.9791 -0.2032 0.0099 -0.0013 -0.0011 0.0024 -0.686 -0.583 1.269 -0.245 -0.208 0.453 -0.229 -0.195 0.423 15 H 1 -0.0276 -0.0558 0.9981 0.8828 0.4671 0.0505 -0.469 0.8825 0.0363 -0.0079 -0.004 0.0119 -1.061 -0.538 1.6 -0.379 -0.192 0.571 -0.354 -0.18 0.534 16 C 13 0.8558 0.5159 0.0375 -0.0079 -0.0594 0.9982 -0.5172 0.8546 0.0468 -0.0023 -0.0 0.0024 -0.311 -0.007 0.317 -0.111 -0.002 0.113 -0.104 -0.002 0.106 17 C 13 0.9935 0.1136 0.0022 0.0028 -0.0441 0.999 -0.1136 0.9925 0.0441 -0.0058 -0.0048 0.0106 -3.072 -2.571 5.644 -1.096 -0.917 2.014 -1.025 -0.858 1.883 18 H 1 0.8961 0.4422 0.0394 -0.0275 -0.0333 0.9991 -0.4431 0.8963 0.0177 -0.0012 -0.001 0.0022 -0.625 -0.536 1.16 -0.223 -0.191 0.414 -0.208 -0.179 0.387 19 H 1 0.0143 -0.0099 0.9998 -0.6081 0.7937 0.0166 0.7937 0.6083 -0.0053 -6.0E-4 -6.0E-4 0.0012 -0.084 -0.077 0.161 -0.03 -0.028 0.058 -0.028 -0.026 0.054 20 C 13 0.7224 -0.6745 -0.1522 0.184 -0.0247 0.9826 0.6665 0.7379 -0.1062 -4.0E-4 -2.0E-4 6.0E-4 -0.181 -0.107 0.288 -0.065 -0.038 0.103 -0.06 -0.036 0.096 21 F 19 0.0567 -0.0442 0.9974 0.7324 -0.6771 -0.0717 0.6785 0.7345 -0.006 -5.0E-4 -4.0E-4 0.001 -0.265 -0.213 0.478 -0.094 -0.076 0.171 -0.088 -0.071 0.159 22 F 19 0.7549 -0.655 -0.0328 -0.0604 -0.1192 0.991 0.653 0.7462 0.1296 -4.0E-4 -2.0E-4 6.0E-4 -0.18 -0.098 0.279 -0.064 -0.035 0.099 -0.06 -0.033 0.093 23 F 19 -0.0235 -0.0165 0.9996 0.6058 0.7952 0.0273 0.7953 -0.6062 0.0087 -6.0E-4 -6.0E-4 0.0012 -0.084 -0.077 0.161 -0.03 -0.028 0.058 -0.028 -0.026 0.054 24 C 13 0.2459 0.3033 0.9206 0.4224 0.8213 -0.3835 0.8724 -0.4832 -0.0738 -6.0E-4 -4.0E-4 0.001 -0.284 -0.206 0.49 -0.101 -0.073 0.175 -0.095 -0.069 0.163 25 F 19 0.4611 0.8205 -0.3378 0.3239 0.1988 0.925 0.8261 -0.5359 -0.1741 -4.0E-4 -3.0E-4 7.0E-4 -0.223 -0.133 0.356 -0.079 -0.047 0.127 -0.074 -0.044 0.119 26 F 19 0.3425 0.7106 -0.6146 0.2998 0.5373 0.7883 0.8904 -0.4542 -0.029 -3.0E-4 -2.0E-4 5.0E-4 -0.152 -0.092 0.245 -0.054 -0.033 0.087 -0.051 -0.031 0.082 27 F 19 -0.0018 0.999 0.0449 0.0037 -0.0449 0.999 1.0 0.002 -0.0036 -0.0063 -0.003 0.0093 -0.849 -0.405 1.254 -0.303 -0.145 0.447 -0.283 -0.135 0.418 28 C 13 -0.0018 0.9966 0.0825 0.0045 -0.0824 0.9966 1.0 0.0021 -0.0044 -0.0019 -0.0016 0.0035 -1.016 -0.876 1.892 -0.362 -0.313 0.675 -0.339 -0.292 0.631 29 H 1 0.0207 -0.1036 0.9944 -0.4585 0.8829 0.1015 0.8885 0.458 0.0292 -0.0077 -0.0045 0.0122 -1.036 -0.599 1.635 -0.37 -0.214 0.584 -0.346 -0.2 0.545 30 C 13 5.0E-4 0.9901 0.1405 0.0656 -0.1402 0.9879 0.9978 0.0087 -0.065 -0.0287 0.0089 0.0198 2.077 -0.641 -1.436 0.741 -0.229 -0.512 0.693 -0.214 -0.479 31 O 17 -0.0105 -0.1001 0.9949 0.4556 0.8852 0.0939 0.8901 -0.4542 -0.0363 -0.0077 -0.0045 0.0122 -1.036 -0.599 1.635 -0.37 -0.214 0.583 -0.346 -0.2 0.545 32 C 13 -0.0038 0.99 0.1411 -0.0596 -0.141 0.9882 0.9982 -0.0047 0.0596 -0.0288 0.0089 0.0199 2.084 -0.644 -1.44 0.744 -0.23 -0.514 0.695 -0.215 -0.48 33 O 17 -0.4621 0.886 0.0382 -0.0209 -0.054 0.9983 0.8866 0.4605 0.0435 -0.0013 -0.001 0.0024 -0.178 -0.139 0.317 -0.063 -0.05 0.113 -0.059 -0.047 0.106 34 C 13 -0.4909 0.8689 0.0638 -0.0075 -0.0775 0.997 0.8712 0.4889 0.0445 -0.0012 -0.001 0.0022 -0.64 -0.542 1.181 -0.228 -0.193 0.422 -0.213 -0.181 0.394 35 H 1 0.6262 -0.5437 0.5588 -0.3295 0.4649 0.8217 0.7066 0.6987 -0.112 -0.0017 -0.0015 0.0032 -0.898 -0.794 1.693 -0.321 -0.283 0.604 -0.3 -0.265 0.565 36 H 1 0.6465 -0.4701 -0.6008 0.303 -0.5646 0.7678 0.7001 0.6784 0.2226 -0.0017 -0.0015 0.0032 -0.903 -0.794 1.697 -0.322 -0.283 0.606 -0.301 -0.265 0.566 37 H 1 0.4586 0.8877 0.041 0.0252 -0.0591 0.9979 0.8883 -0.4566 -0.0495 -0.0013 -0.001 0.0024 -0.177 -0.139 0.317 -0.063 -0.05 0.113 -0.059 -0.046 0.106 38 C 13 0.6494 0.4724 0.5959 -0.2947 -0.566 0.7699 0.701 -0.6756 -0.2284 -0.0017 -0.0015 0.0032 -0.904 -0.795 1.699 -0.323 -0.284 0.606 -0.302 -0.265 0.567 39 H 1 0.4879 0.8708 0.06 0.0159 -0.0777 0.9969 0.8727 -0.4854 -0.0518 -0.0012 -0.001 0.0022 -0.64 -0.542 1.181 -0.228 -0.193 0.421 -0.213 -0.181 0.394 40 H 1 PT33230.500S 2024-10-31T13:34:34.000 -277.77145 -33.01236 -28.63612 -28.63490 -28.63092 -24.85847 -24.85820 -24.85643 -24.85588 -24.85585 -24.85552 -19.26241 -19.26241 -14.50591 -14.50586 -10.55552 -10.55545 -10.37857 -10.37856 -10.37803 -10.37752 -10.35862 -10.35792 -10.35522 -10.35519 -10.33628 -10.33595 -10.33092 -10.33079 -10.28141 -10.28139 -10.27017 -3.86864 -2.54535 -2.54380 -2.54076 -1.44223 -1.44219 -1.35072 -1.35048 -1.34796 -1.34781 -1.15860 -1.14251 -1.11834 -1.09021 -0.96769 -0.96128 -0.93800 -0.88736 -0.88200 -0.84671 -0.84653 -0.83788 -0.80126 -0.79773 -0.77441 -0.75640 -0.75189 -0.71064 -0.70800 -0.70625 -0.70624 -0.70376 -0.68214 -0.66324 -0.65131 -0.63535 -0.61316 -0.60674 -0.60232 -0.59622 -0.59346 -0.58138 -0.58051 -0.57864 -0.57681 -0.57424 -0.56548 -0.56054 -0.55432 -0.54563 -0.54495 -0.54063 -0.53451 -0.53234 -0.52645 -0.51992 -0.51853 -0.51846 -0.51501 -0.51116 -0.49975 -0.49264 -0.48934 -0.48563 -0.48097 -0.46701 -0.46355 -0.45719 -0.45289 -0.43956 -0.42604 -0.41411 -0.41342 -0.40756 -0.38677 -0.37086 -0.36792 -0.36748 -0.35990 -0.34624 -0.31504 -0.04116 -0.00336 0.00270 0.01588 0.02170 0.05809 0.08085 0.12895 0.13243 0.13260 0.14113 0.14857 0.15847 0.16069 0.16510 0.17200 0.17393 0.17604 0.18792 0.19334 0.19993 0.20101 0.20667 0.20746 0.20847 0.21169 0.21412 0.21912 0.22258 0.22508 0.23097 0.23346 0.23545 0.23790 0.24825 0.25000 0.26385 0.26761 0.27082 0.27512 0.27846 0.28051 0.28252 0.28855 0.29188 0.29767 0.30116 0.30586 0.30601 0.31274 0.31564 0.32039 0.32122 0.32245 0.32333 0.32773 0.33999 0.34788 0.34978 0.35327 0.35595 0.36225 0.36441 0.36638 0.36852 0.36917 0.37773 0.38320 0.38602 0.39083 0.39906 0.40110 0.40428 0.40775 0.41468 0.41907 0.42416 0.42607 0.43492 0.43895 0.44115 0.44691 0.45484 0.45757 0.46169 0.46617 0.46907 0.47719 0.47860 0.48222 0.48387 0.48869 0.49088 0.49483 0.50268 0.50412 0.51969 0.52386 0.52539 0.52600 0.53436 0.53883 0.53972 0.54130 0.54539 0.55407 0.55652 0.55822 0.56089 0.56763 0.57458 0.58263 0.58724 0.58991 0.60303 0.60676 0.61015 0.61260 0.61539 0.61685 0.62145 0.62538 0.63424 0.64483 0.65290 0.65651 0.66124 0.67001 0.67672 0.67953 0.68181 0.68493 0.69319 0.69457 0.69510 0.70092 0.70115 0.70399 0.71599 0.72011 0.72528 0.72817 0.73046 0.73296 0.74124 0.74534 0.74917 0.75130 0.75844 0.76033 0.76601 0.76947 0.77305 0.77395 0.77860 0.78404 0.78710 0.79419 0.79617 0.81389 0.82019 0.82093 0.82645 0.83239 0.83564 0.84036 0.84109 0.84859 0.85372 0.86072 0.87001 0.87077 0.87350 0.87640 0.88278 0.88503 0.88650 0.89493 0.90147 0.90654 0.91075 0.91667 0.92892 0.93089 0.93560 0.94204 0.95330 0.95756 0.96011 0.96217 0.96480 0.96917 0.97096 0.97636 0.97955 0.99237 0.99289 0.99839 1.00030 1.00609 1.00941 1.01110 1.02130 1.02275 1.03029 1.03785 1.04159 1.04532 1.05575 1.05938 1.06483 1.06567 1.06708 1.07176 1.07952 1.08310 1.09359 1.09645 1.09921 1.09960 1.11274 1.12136 1.12375 1.13176 1.14404 1.14877 1.15367 1.16026 1.16937 1.17932 1.18872 1.19752 1.20070 1.20508 1.20974 1.21791 1.21955 1.22383 1.22526 1.23232 1.24229 1.24787 1.25769 1.26341 1.26614 1.26875 1.27048 1.27771 1.29034 1.30239 1.31368 1.31754 1.32796 1.33523 1.34152 1.34257 1.35669 1.36307 1.36868 1.37520 1.37909 1.38612 1.38998 1.39070 1.39806 1.41202 1.41415 1.42065 1.42734 1.43593 1.43977 1.44331 1.44859 1.45242 1.45570 1.46666 1.46765 1.47696 1.48866 1.49302 1.49744 1.49834 1.50201 1.50678 1.51206 1.51881 1.52003 1.52843 1.53645 1.53925 1.54647 1.54982 1.56429 1.56443 1.56672 1.57580 1.58060 1.58419 1.58916 1.59205 1.59790 1.61780 1.62717 1.62923 1.63724 1.64275 1.66295 1.66941 1.67762 1.67857 1.68972 1.69269 1.69509 1.70078 1.70477 1.72342 1.72567 1.75109 1.75866 1.76126 1.77205 1.77828 1.78500 1.79117 1.79984 1.80777 1.80982 1.82484 1.82685 1.83627 1.85096 1.85946 1.86073 1.86798 1.87472 1.89564 1.91550 1.91889 1.92843 1.93448 1.94024 1.94672 1.95019 1.95603 1.96349 1.96937 1.98701 2.00030 2.00883 2.01375 2.02007 2.02414 2.02953 2.03353 2.04009 2.04869 2.05577 2.06076 2.06763 2.07971 2.08940 2.10102 2.10679 2.11195 2.12229 2.13495 2.14987 2.15569 2.16565 2.17731 2.18541 2.19681 2.19758 2.20469 2.21448 2.21963 2.22763 2.23393 2.25348 2.25771 2.27301 2.28211 2.28616 2.30564 2.31116 2.32914 2.33218 2.35402 2.35535 2.35934 2.38395 2.39831 2.40132 2.40760 2.41286 2.41927 2.42387 2.42974 2.43543 2.44427 2.44595 2.45008 2.45657 2.46322 2.46518 2.47282 2.48626 2.49744 2.50532 2.52474 2.52959 2.54063 2.54175 2.54888 2.55617 2.56331 2.58181 2.58898 2.59768 2.61442 2.62195 2.63224 2.63389 2.64299 2.65359 2.66208 2.67885 2.68647 2.68793 2.69232 2.69558 2.71015 2.71490 2.73383 2.73567 2.74408 2.74619 2.75200 2.76543 2.77501 2.78426 2.79579 2.79941 2.80664 2.81038 2.81509 2.82114 2.83140 2.84900 2.85663 2.86257 2.86650 2.87202 2.87444 2.87629 2.88512 2.88717 2.89630 2.89878 2.90245 2.90622 2.90927 2.91472 2.92273 2.92384 2.92884 2.93546 2.94316 2.94495 2.95030 2.95449 2.95886 2.96330 2.96429 2.97934 2.98972 2.99695 3.00169 3.00468 3.00861 3.00936 3.01478 3.01774 3.02312 3.03288 3.03866 3.04254 3.04484 3.05268 3.05864 3.06696 3.06741 3.07061 3.07273 3.07387 3.07550 3.08722 3.08955 3.09337 3.10061 3.10709 3.12136 3.12297 3.13011 3.13509 3.14349 3.14629 3.15059 3.15927 3.16131 3.16763 3.17489 3.17856 3.18319 3.18621 3.19865 3.20882 3.21068 3.21684 3.22305 3.22385 3.22762 3.23056 3.23618 3.24223 3.24905 3.25039 3.25320 3.25458 3.26399 3.27763 3.28012 3.28114 3.28838 3.29969 3.30052 3.30549 3.30876 3.31240 3.31765 3.32479 3.32780 3.33301 3.33801 3.33990 3.34416 3.35165 3.35635 3.36609 3.36778 3.38227 3.38392 3.38829 3.39271 3.40710 3.41351 3.41936 3.43343 3.44046 3.44745 3.45395 3.46328 3.47121 3.47665 3.47826 3.48757 3.49253 3.50058 3.50791 3.51169 3.51916 3.52899 3.54034 3.54593 3.54705 3.55321 3.55971 3.56608 3.57127 3.57393 3.57639 3.58775 3.59436 3.59571 3.60095 3.60538 3.61148 3.61442 3.61554 3.62199 3.62885 3.63132 3.64256 3.64499 3.65233 3.65761 3.65963 3.66987 3.67554 3.69347 3.70348 3.71669 3.71926 3.72457 3.73262 3.74108 3.75122 3.75786 3.76231 3.76864 3.78400 3.78520 3.79161 3.79861 3.80346 3.80579 3.81312 3.82487 3.83158 3.83371 3.84460 3.86397 3.87612 3.88666 3.88966 3.89332 3.89834 3.90262 3.90543 3.92294 3.93202 3.93752 3.94049 3.94339 3.94690 3.95192 3.95459 3.95726 3.96401 3.97334 3.97800 3.98657 3.98839 3.99773 4.00242 4.00602 4.00758 4.00925 4.01509 4.03330 4.03701 4.03829 4.03918 4.05019 4.05721 4.06375 4.06959 4.07708 4.08138 4.08729 4.09087 4.09492 4.10038 4.10503 4.11101 4.11535 4.12102 4.12938 4.13390 4.14351 4.15438 4.15772 4.16388 4.16729 4.17430 4.17888 4.18362 4.19461 4.19969 4.20650 4.21637 4.22388 4.22652 4.22912 4.23789 4.24224 4.24441 4.26974 4.27788 4.29405 4.29504 4.30208 4.30474 4.32091 4.32168 4.33163 4.36408 4.36614 4.37484 4.38186 4.40854 4.43125 4.43914 4.44451 4.44733 4.45075 4.45401 4.46111 4.46793 4.47490 4.48076 4.49167 4.49789 4.50774 4.50988 4.51844 4.52696 4.53804 4.54183 4.54542 4.55776 4.57707 4.60132 4.60426 4.62284 4.63297 4.64891 4.65623 4.69451 4.69690 4.70659 4.71944 4.73293 4.75722 4.76470 4.77889 4.78668 4.79010 4.79109 4.82798 4.83441 4.84227 4.85353 4.85893 4.88680 4.89117 4.90827 4.92443 4.93592 4.94489 4.94788 4.95879 4.96249 4.96754 4.97994 4.98276 5.00644 5.03201 5.05277 5.06559 5.08668 5.09929 5.11329 5.11860 5.13460 5.14956 5.15725 5.16386 5.16848 5.17174 5.18290 5.18632 5.18794 5.18987 5.21858 5.22560 5.23023 5.25024 5.26277 5.26397 5.26745 5.27917 5.28724 5.29860 5.31107 5.31813 5.33200 5.33648 5.33852 5.35702 5.37660 5.38805 5.38922 5.39595 5.40822 5.41448 5.42780 5.43426 5.44382 5.45309 5.46552 5.47245 5.48019 5.50079 5.51246 5.56185 5.57458 5.57595 5.59272 5.59708 5.61248 5.61939 5.62191 5.64006 5.66561 5.67608 5.68865 5.69015 5.71078 5.71587 5.71766 5.74254 5.75964 5.78492 5.84857 5.85920 5.86735 5.89332 5.90561 5.92361 6.07014 6.07180 6.08984 6.09424 6.11342 6.12040 6.14686 6.24993 6.31688 6.42812 6.45590 6.49137 6.56034 6.56855 6.63061 6.77930 6.80394 6.86803 6.86959 6.88323 6.90922 6.91161 6.91216 6.91431 6.91982 6.92083 6.92551 6.92610 6.92628 6.92803 6.92826 6.93011 6.93712 6.93885 6.94421 6.94798 6.94951 6.95240 6.98786 7.04852 7.05261 7.05403 7.05897 7.08161 7.08998 7.13037 7.13446 7.16060 7.16559 7.21381 7.21543 7.29871 7.30012 7.36349 7.41181 7.43737 7.43874 7.45208 7.45540 7.50804 7.51817 7.58766 7.59586 7.67213 7.67975 7.70593 7.71018 8.35241 8.35622 8.38405 8.38950 8.39435 8.39771 8.53299 8.53755 8.55431 8.56497 8.64736 8.65660 8.76360 8.76829 8.84269 8.84866 8.86202 8.87322 8.96558 8.97396 9.02130 9.02772 9.06210 9.06400 9.07966 9.08290 9.16999 9.17527 9.23112 9.23598 10.05052 10.05869 10.06002 10.07809 10.07876 10.08032 10.08902 10.17044 10.18723 10.60933 10.63894 10.68551 10.69064 10.70761 11.00538 11.02064 22.83635 22.95803 23.00202 23.00877 23.11878 23.18610 23.20654 23.23964 23.30229 23.35754 23.41684 23.50529 23.56960 23.69719 23.71184 23.73008 23.80869 32.90253 33.03257 44.33576 44.36966 57.22086 57.26704 57.33685 57.35172 57.46161 57.50548 -277.77097 -32.98946 -28.62312 -28.62262 -28.59990 -24.85847 -24.85820 -24.85643 -24.85589 -24.85585 -24.85552 -19.26272 -19.26272 -14.50614 -14.50609 -10.55552 -10.55545 -10.37859 -10.37858 -10.37806 -10.37755 -10.35866 -10.35796 -10.35525 -10.35522 -10.33627 -10.33594 -10.33092 -10.33078 -10.28144 -10.28141 -10.27016 -3.82037 -2.50591 -2.50510 -2.46074 -1.44223 -1.44220 -1.35072 -1.35048 -1.34796 -1.34782 -1.15917 -1.14317 -1.11860 -1.09048 -0.96777 -0.96138 -0.93812 -0.88747 -0.88208 -0.84687 -0.84658 -0.83792 -0.80134 -0.79778 -0.77446 -0.75648 -0.75200 -0.71066 -0.70801 -0.70626 -0.70625 -0.70377 -0.68222 -0.66331 -0.64967 -0.63537 -0.61351 -0.60692 -0.60192 -0.59611 -0.59346 -0.58139 -0.58048 -0.57861 -0.57672 -0.57426 -0.56545 -0.56053 -0.55436 -0.54560 -0.54495 -0.54063 -0.53451 -0.53234 -0.52623 -0.52007 -0.51854 -0.51847 -0.51531 -0.50934 -0.49940 -0.49220 -0.48903 -0.48560 -0.48069 -0.46682 -0.46285 -0.45155 -0.45067 -0.43769 -0.42495 -0.41306 -0.40870 -0.40733 -0.37049 -0.35389 -0.35163 -0.34892 -0.33980 -0.31181 -0.04082 -0.00335 0.00241 0.01405 0.01650 0.05176 0.05793 0.09621 0.13045 0.13245 0.13451 0.14201 0.14861 0.15855 0.16088 0.16514 0.17212 0.17404 0.17829 0.18791 0.19332 0.19984 0.20095 0.20679 0.20751 0.20852 0.21160 0.21628 0.21919 0.22339 0.22513 0.23080 0.23335 0.23574 0.23798 0.24890 0.25273 0.26419 0.26737 0.27054 0.27534 0.27865 0.28246 0.28526 0.28901 0.29223 0.29909 0.30120 0.30578 0.30598 0.31271 0.31662 0.32017 0.32097 0.32243 0.32331 0.32797 0.34026 0.34835 0.35039 0.35336 0.35600 0.36212 0.36436 0.36648 0.36830 0.36906 0.37794 0.38324 0.38616 0.39106 0.39895 0.40124 0.40515 0.40800 0.41457 0.41891 0.42402 0.42608 0.43483 0.43880 0.44169 0.44699 0.45475 0.45782 0.46175 0.46613 0.46932 0.47695 0.47860 0.48206 0.48371 0.48864 0.49082 0.49475 0.50266 0.50467 0.51960 0.52376 0.52513 0.52645 0.53432 0.53902 0.53970 0.54131 0.54533 0.55418 0.55689 0.55831 0.56104 0.56760 0.57502 0.58275 0.58715 0.58997 0.60432 0.60723 0.61024 0.61235 0.61516 0.61684 0.62140 0.62532 0.63423 0.64481 0.65273 0.65636 0.66100 0.66998 0.67660 0.67962 0.68201 0.68490 0.69328 0.69472 0.69518 0.70068 0.70155 0.70372 0.71598 0.72003 0.72520 0.72802 0.73024 0.73338 0.74113 0.74528 0.74927 0.75113 0.75870 0.76067 0.76621 0.76938 0.77270 0.77375 0.77881 0.78375 0.78706 0.79427 0.79608 0.81372 0.82006 0.82074 0.82644 0.83231 0.83572 0.84022 0.84093 0.84848 0.85349 0.86063 0.87003 0.87074 0.87338 0.87636 0.88305 0.88503 0.88642 0.89499 0.90176 0.90658 0.91097 0.91660 0.92885 0.93079 0.93557 0.94204 0.95348 0.95769 0.96126 0.96239 0.96606 0.96952 0.97132 0.97619 0.97962 0.99269 0.99323 0.99905 1.00081 1.00650 1.00960 1.01106 1.02160 1.02318 1.03068 1.03831 1.04166 1.04539 1.05579 1.05939 1.06528 1.06577 1.06709 1.07209 1.07951 1.08317 1.09448 1.09676 1.09959 1.10047 1.11278 1.12134 1.12384 1.13169 1.14591 1.14871 1.15388 1.16139 1.16974 1.17934 1.18951 1.19820 1.20094 1.20581 1.21093 1.21803 1.21966 1.22473 1.22545 1.23273 1.24290 1.25572 1.25853 1.26359 1.26613 1.27048 1.27604 1.27805 1.29123 1.30251 1.31428 1.31914 1.32810 1.33656 1.34174 1.34299 1.35682 1.36389 1.36912 1.37549 1.37953 1.38642 1.38992 1.39256 1.39896 1.41250 1.41460 1.42070 1.42757 1.43620 1.44001 1.44344 1.44977 1.45288 1.45610 1.46694 1.47082 1.47882 1.48963 1.49325 1.49759 1.49850 1.50217 1.50678 1.51224 1.51882 1.52026 1.52838 1.53660 1.53936 1.54663 1.55088 1.56451 1.56475 1.56690 1.57588 1.58074 1.58440 1.58923 1.59219 1.59803 1.61818 1.62717 1.62981 1.63730 1.64325 1.66316 1.66932 1.67770 1.67865 1.68978 1.69283 1.69570 1.70093 1.70487 1.72346 1.72567 1.75137 1.75892 1.76147 1.77243 1.77859 1.78507 1.79130 1.80033 1.80814 1.81016 1.82494 1.82694 1.83653 1.85152 1.85975 1.86093 1.86833 1.87498 1.89604 1.91557 1.92035 1.92852 1.93454 1.94070 1.94684 1.95023 1.95607 1.96356 1.96944 1.98710 2.00041 2.00927 2.01383 2.02014 2.02421 2.02985 2.03369 2.04049 2.04932 2.05714 2.06102 2.06763 2.08025 2.08946 2.10152 2.10684 2.11207 2.12252 2.13506 2.14984 2.15579 2.16592 2.17734 2.18551 2.19681 2.19759 2.20493 2.21458 2.21982 2.22858 2.23391 2.25340 2.25786 2.27333 2.28251 2.28617 2.30865 2.31128 2.33056 2.33315 2.35495 2.35646 2.36005 2.38443 2.39875 2.40219 2.40873 2.41328 2.41927 2.42392 2.42994 2.43546 2.44464 2.44606 2.45034 2.45676 2.46325 2.46560 2.47286 2.48643 2.49823 2.50591 2.52490 2.52970 2.54081 2.54183 2.54956 2.55652 2.56334 2.58188 2.58930 2.59782 2.61498 2.62216 2.63325 2.63440 2.64375 2.65467 2.66344 2.68040 2.68801 2.68809 2.69559 2.69855 2.71112 2.71724 2.73635 2.74278 2.74625 2.74922 2.75336 2.76671 2.77641 2.78469 2.79821 2.79979 2.80689 2.81065 2.81579 2.82114 2.83175 2.85009 2.85755 2.86290 2.86688 2.87346 2.87541 2.87885 2.88512 2.89288 2.89738 2.89967 2.90290 2.90689 2.91339 2.91721 2.92407 2.92805 2.93621 2.93837 2.94454 2.94784 2.95225 2.95520 2.95987 2.96564 2.97038 2.98174 2.99092 2.99741 3.00202 3.00677 3.00986 3.01100 3.01521 3.01817 3.02329 3.03315 3.03956 3.04274 3.04512 3.05318 3.05915 3.06711 3.06788 3.07106 3.07335 3.07415 3.07621 3.08739 3.08998 3.09422 3.10149 3.10724 3.12229 3.12357 3.13074 3.13561 3.14391 3.14715 3.15099 3.15953 3.16203 3.16829 3.17600 3.17872 3.18459 3.18708 3.19905 3.20884 3.21100 3.21747 3.22401 3.22456 3.22847 3.23101 3.23639 3.24249 3.24923 3.25050 3.25334 3.25487 3.26491 3.27823 3.28057 3.28155 3.28981 3.29995 3.30154 3.30592 3.30943 3.31294 3.31791 3.32504 3.32796 3.33310 3.33818 3.34008 3.34503 3.35197 3.35706 3.36627 3.36883 3.38269 3.38435 3.38879 3.39364 3.40709 3.41378 3.41947 3.43408 3.44119 3.44787 3.45453 3.46385 3.47240 3.47709 3.47926 3.48786 3.49276 3.50111 3.50821 3.51195 3.52028 3.53003 3.54064 3.54666 3.54744 3.55377 3.56127 3.56662 3.57138 3.57402 3.57711 3.58799 3.59438 3.59675 3.60112 3.60548 3.61225 3.61449 3.61567 3.62207 3.62902 3.63138 3.64247 3.64518 3.65235 3.65777 3.65974 3.67109 3.67653 3.69424 3.70411 3.71810 3.71961 3.72582 3.73282 3.74168 3.75187 3.75794 3.76244 3.76857 3.78487 3.78571 3.79293 3.80148 3.80515 3.80620 3.81342 3.82509 3.83369 3.83415 3.85972 3.87443 3.88536 3.88905 3.89379 3.89528 3.89953 3.90295 3.90605 3.92371 3.93370 3.93793 3.94093 3.94474 3.94728 3.95206 3.95604 3.95766 3.96564 3.97508 3.97949 3.98728 3.98910 3.99820 4.00254 4.00631 4.00792 4.01209 4.01787 4.03381 4.03925 4.04051 4.04153 4.05329 4.05920 4.06695 4.07123 4.07739 4.08165 4.08864 4.09109 4.09566 4.10119 4.10578 4.11125 4.11602 4.12174 4.12943 4.13487 4.14366 4.15454 4.15835 4.16408 4.16757 4.17431 4.17910 4.18364 4.19481 4.20030 4.20657 4.21655 4.22420 4.22672 4.22942 4.23820 4.24245 4.24454 4.27007 4.27799 4.29485 4.29669 4.30414 4.30600 4.32187 4.32659 4.33173 4.36432 4.36672 4.37505 4.38631 4.40887 4.43189 4.43920 4.44467 4.44739 4.45073 4.45446 4.46186 4.46824 4.47598 4.48105 4.49173 4.49847 4.50780 4.51008 4.51860 4.52733 4.53833 4.54385 4.54982 4.55865 4.58035 4.60429 4.60828 4.62324 4.63318 4.64951 4.65649 4.69476 4.69701 4.70753 4.71942 4.73414 4.75742 4.76516 4.77896 4.78672 4.79035 4.79106 4.82877 4.83458 4.84234 4.85356 4.85938 4.88747 4.89302 4.90924 4.92481 4.93593 4.94501 4.94800 4.95864 4.96378 4.96723 4.98008 4.98303 5.00645 5.03210 5.05418 5.06561 5.08741 5.09929 5.11314 5.11912 5.13506 5.14969 5.15765 5.16393 5.16847 5.17177 5.18283 5.18633 5.18795 5.18985 5.21838 5.22538 5.23018 5.25021 5.26260 5.26385 5.26712 5.27931 5.28682 5.29879 5.31106 5.31821 5.33220 5.33638 5.33876 5.35726 5.37653 5.38822 5.38940 5.39601 5.40819 5.41426 5.42784 5.43427 5.44399 5.45317 5.46550 5.47240 5.48008 5.50104 5.51245 5.56198 5.57449 5.57595 5.59289 5.59722 5.61275 5.61946 5.62198 5.64003 5.66527 5.67596 5.68856 5.68997 5.71069 5.71579 5.71751 5.74257 5.75959 5.78487 5.84849 5.85911 5.86703 5.89316 5.90544 5.92364 6.06983 6.07154 6.09008 6.09404 6.11323 6.12013 6.14685 6.25026 6.31685 6.42788 6.45554 6.49046 6.56013 6.56790 6.63019 6.77875 6.80370 6.86803 6.86959 6.88296 6.90922 6.91161 6.91216 6.91431 6.91982 6.92083 6.92516 6.92610 6.92628 6.92748 6.92825 6.93006 6.93711 6.93885 6.94421 6.94797 6.94951 6.95238 6.98753 7.04852 7.05261 7.05403 7.05897 7.08161 7.08998 7.13037 7.13445 7.16060 7.16559 7.21381 7.21543 7.29819 7.29977 7.36347 7.41164 7.43736 7.43874 7.45208 7.45540 7.50804 7.51817 7.58766 7.59586 7.67213 7.67974 7.70593 7.71018 8.35240 8.35621 8.38405 8.38950 8.39434 8.39771 8.53299 8.53755 8.55430 8.56497 8.64736 8.65660 8.76359 8.76829 8.84269 8.84866 8.86202 8.87322 8.96557 8.97395 9.02130 9.02772 9.06210 9.06399 9.07966 9.08289 9.16998 9.17526 9.23112 9.23598 10.08298 10.08422 10.10717 10.10900 10.11665 10.11716 10.11741 10.20062 10.22642 10.61828 10.70087 10.72771 10.73319 10.75448 11.04769 11.06303 22.83633 22.95801 23.00202 23.00877 23.11876 23.18605 23.20649 23.23960 23.30230 23.35752 23.41679 23.50527 23.56956 23.69715 23.71181 23.73006 23.80868 32.90231 33.03234 44.33548 44.36936 57.22086 57.26704 57.33685 57.35172 57.46161 57.50548 2-A. 6.2225 -0.1971 0.0696 6.2260 -126.0108 -134.0926 -162.9224 0.0013 -0.2777 1.5300 14.9978 6.9160 -21.9138 0.0013 -0.2777 1.5300 179.3994 -4.3708 0.2200 89.5604 1.1667 -0.1809 -12.4488 -1.5514 0.2889 1.6898 -7866.9021 -6879.8465 -307.2282 -7.5506 -2.2079 12.0386 7.1863 0.2909 -5.1203 -2692.8867 -1601.9476 -1279.3721 21.2304 -2.0777 0.3122 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|Beta|Orbitals: (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-NODO01 FUNES 2024-10-31T00:00:00.000 0 coments 1 2 Version=ES64L-G16RevC.02 State=2-A HF=-2897.6290423 S2=0.754296 S2-1=0. S2A=0.750012 RMSD=2.158e-09 Dipole=2.44785,-0.0838898,0.0320526 Quadrupole=11.1510459,5.1576056,-16.3086516,-0.0182567,-0.1577913,0.9789129 PG=C01 [X(C17H13Co1F6N2O2)] 0 1.828032363 -0.0088496313 0.0071300654 0 -0.8747239774 -0.747588018 0.0050331145 0 -2.0180409889 -1.5333778713 0.0436155192 0 -1.867789435 -2.9195893204 0.0339719031 0 -0.5983424355 -3.4786283337 -0.0192000839 0 0.4981087598 -2.6223696794 -0.0531958419 0 0.3561173288 -1.2980747147 -0.0387877625 0 -3.0083255804 -1.0791893156 0.0865240131 0 -0.4437570586 -4.5570246391 -0.0290065691 0 1.522792229 -2.9951776391 -0.0906069888 0 -0.8731254074 0.7317104253 0.0138316728 0 -2.0189832024 1.5185712086 -0.0253724068 0 0.3558347363 1.280401052 0.0556224272 0 -1.8694351742 2.9011931077 -0.019785907 0 -3.0072965572 1.0626005634 -0.0658775055 0 0.4985489543 2.6071724729 0.0684024012 0 -0.5961741149 3.4609733405 0.0330914836 0 1.5236138903 2.9787479859 0.1055984368 0 -0.4419246517 4.5404926936 0.0414647919 0 -3.1083860807 -3.783635272 0.0848820481 0 -3.8139416727 -3.5390194141 1.1924371531 0 -2.8190014298 -5.0826610402 0.0690647706 0 -3.9068355671 -3.5333672232 -0.9562679174 0 -3.0793936398 3.8060810824 -0.1065666373 0 -4.2156983913 3.1473128997 0.1181209047 0 -3.005209435 4.8002218557 0.7798619078 0 -3.1691076674 4.3604371401 -1.3189087922 0 5.0495907814 -0.0107166066 -0.001318478 0 6.139206641 -0.0112106577 -0.0050504185 0 4.3869302858 1.2214653755 0.1096075553 0 3.1222297117 1.3604361487 0.1340482788 0 4.3851026257 -1.2422757098 -0.1071888499 0 3.1201188848 -1.3797232001 -0.1229542065 0 5.174360675 2.4951163129 0.204979928 0 6.2567903816 2.3196786171 0.2147207364 0 4.9184090294 3.1383393702 -0.6514119538 0 4.8814679866 3.03551044 1.1180271455 0 5.1701658305 -2.5170153743 -0.2075084527 0 4.8713164861 -3.0564427932 -1.1192220993 0 6.2527890581 -2.3432291177 -0.2233165157 0 4.9180168281 -3.1603965208 0.6498821294 Gaussian 16 31-Oct-2024 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 117 C1[X(C17H13CoF6N2O2)] UM06L def2TZVPP SP #p M06L/Def2TZVPP scrf(smd,solvent=acetonitrile) scf=(XQC) geom=allcheck guess=read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 437.1177191999997 AuxInfo=1/0/N:5,17,6,16,3,12,4,14,2,11,20,24,21,22,23,25,26,27,7,13;34,38,28,30,32,31,33;1/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14,15,16,17,18)(19,20);(1,2)(4,5)(6,7);/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,19-1,20-1;3.3,4.3,5.3,6-1,7-1;/rA:41nCoC3C3C3C3C3NHHHC3C3NC3HC3C3HHCFFFCFFFC3HC3OC3OCHHHCHHH/rB:;s2;s3;s4;s5;s1s2s6;s3;s5;s6;s2;s11;s1s11;s12;s12;s13;s14s16;s16;s17;s4;s20;s20;s20;s14;s24;s24;s24;;s28;s28;s1s30;s28;s1s32;s30;s34;s34;s34;s32;s38;s38;s38;/rC:1.828,-.0089,.0071;-.8747,-.7476,.005;-2.018,-1.5334,.0436;-1.8678,-2.9196,.034;-.5983,-3.4786,-.0192;.4981,-2.6224,-.0532;.3561,-1.2981,-.0388;-3.0083,-1.0792,.0865;-.4438,-4.557,-.029;1.5228,-2.9952,-.0906;-.8731,.7317,.0138;-2.019,1.5186,-.0254;.3558,1.2804,.0556;-1.8694,2.9012,-.0198;-3.0073,1.0626,-.0659;.4985,2.6072,.0684;-.5962,3.461,.0331;1.5236,2.9787,.1056;-.4419,4.5405,.0415;-3.1084,-3.7836,.0849;-3.8139,-3.539,1.1924;-2.819,-5.0827,.0691;-3.9068,-3.5334,-.9563;-3.0794,3.8061,-.1066;-4.2157,3.1473,.1181;-3.0052,4.8002,.7799;-3.1691,4.3604,-1.3189;5.0496,-.0107,-.0013;6.1392,-.0112,-.005;4.3869,1.2215,.1096;3.1222,1.3604,.134;4.3851,-1.2423,-.1072;3.1201,-1.3797,-.123;5.1744,2.4951,.205;6.2568,2.3197,.2147;4.9184,3.1383,-.6514;4.8815,3.0355,1.118;5.1702,-2.517,-.2075;4.8713,-3.0564,-1.1192;6.2528,-2.3432,-.2233;4.918,-3.1604,.6499;/R:/0/N:34,38,5,17,6,16,28,3,12,30,32,4,14,2,11,20,24,1,21,22,23,25,26,27,7,13,31,33/E:(1,2)(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)(16,17)(19,20,21,22,23,24)(25,26)(27,28)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,18.4 chk=CoII_acac.chk Mem=57428MB NProc=16 #p M06L/Def2TZVPP scrf(smd,solvent=acetonitrile) scf=(XQC) geom=allche 1/29=7,38=1,172=1/1 2/12=2,40=1/2 3/5=44,7=202,11=2,14=-4,25=1,30=1,70=32201,72=2,74=-53,116=-2/1,2,3 4/5=1/1 5/5=2,8=3,13=1,38=6,53=2/2,8 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 coments Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 59 12 12 12 12 12 14 1 1 1 12 12 14 12 1 12 12 1 1 12 19 19 19 12 19 19 19 12 1 12 16 12 16 12 1 1 1 12 1 1 1 58.9331978 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 14.0030740 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 14.0030740 12.0000000 1.0078250 12.0000000 12.0000000 1.0078250 1.0078250 12.0000000 18.9984032 18.9984032 18.9984032 12.0000000 18.9984032 18.9984032 18.9984032 12.0000000 1.0078250 12.0000000 15.9949146 12.0000000 15.9949146 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 7 0 0 0 0 0 2 1 1 1 0 0 2 0 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 0 0 0 0 0 1 1 1 0 1 1 1 25.3800000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 4.5500000 1.0000000 1.0000000 1.0000000 3.6000000 3.6000000 4.5500000 3.6000000 1.0000000 3.6000000 3.6000000 1.0000000 1.0000000 3.6000000 6.7500000 6.7500000 6.7500000 3.6000000 6.7500000 6.7500000 6.7500000 3.6000000 1.0000000 3.6000000 5.6000000 3.6000000 5.6000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/CompChem/Gaussian/g16/l101.exe) Structure from the checkpoint file: "CoII_acac.chk" def2TZVPP (5D, 7F) 0.10000e-02 0.10000e-05 F 1247 A 1083 A 1083 1728 1247 113 112 3205.3582736085 41 41 41 1.00e+00 60 F IExCor= 4134 DFT=T Ex+Corr=M06L ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi= 4 PCM SMD-Coulomb. Total charges None On-the-fly selection Acetonitrile 35.688000 1.806874 0.000000 2.801898 0.000000 4.137366 1.387850 0.000000 4.704490 2.388432 1.394364 0.000000 4.234070 2.745097 2.409043 1.388109 0.000000 2.933057 2.324407 2.743408 2.386087 1.391596 0.000000 1.957229 1.349046 2.387213 2.753246 2.380376 1.331963 0.000000 4.954017 2.160754 1.090317 2.165792 3.402426 3.833537 3.373884 0.000000 5.084115 3.833888 3.409704 2.170951 1.089464 2.151880 3.355689 4.322696 0.000000 3.003478 3.287688 3.833063 3.393711 2.176703 1.091037 2.060091 4.922745 2.512066 0.000000 2.800844 1.479325 2.538177 3.784409 4.219425 3.624173 2.373570 2.800665 5.306309 4.431819 0.000000 4.139275 2.538844 3.052729 4.441132 5.195215 4.846021 3.684396 2.782028 6.276481 5.737801 1.390567 0.000000 1.957520 2.372672 3.681410 4.752357 4.854319 3.906879 2.580204 4.109282 5.892542 4.434382 1.346533 2.388105 0.000000 4.705352 3.782019 4.437513 5.821031 6.505213 6.009669 4.752609 4.141475 7.593264 6.802897 2.387555 1.390697 2.753993 0.000000 4.953155 2.798156 2.780237 4.143221 5.140817 5.085964 4.109267 2.147205 6.176834 6.081766 2.161141 1.089180 3.372366 2.162701 0.000000 2.935107 3.625509 4.845410 6.012141 6.184482 5.230956 3.909314 5.088002 7.226559 5.697428 2.324183 2.744415 1.334486 2.387797 3.833365 0.000000 4.232862 4.217863 5.192818 6.506042 6.939799 6.181583 4.853923 5.141440 8.019687 6.796117 2.743346 2.408470 2.379438 1.391885 3.402278 1.388755 0.000000 3.004681 4.432575 5.736414 6.804199 6.798234 5.696437 4.435663 6.083231 7.789514 5.977147 3.286633 3.833962 2.061695 3.396251 4.922416 1.090967 2.175155 0.000000 5.084329 5.305887 6.275034 7.595128 8.020876 7.224903 5.893401 6.178128 9.097790 7.788702 3.833213 3.409339 3.356310 2.174590 4.323007 2.150103 1.090516 2.511275 0.000000 6.214763 3.770040 2.500843 1.512695 2.530648 3.791360 4.265687 2.706297 2.776932 4.701093 5.038828 5.414088 6.135646 6.799477 4.849634 7.338438 7.668001 8.196687 8.740881 0.000000 6.760098 4.223863 2.927055 2.348030 3.436829 4.581007 4.891538 2.814751 3.726447 5.515677 5.317579 5.503104 6.473500 6.835710 4.838278 7.591884 7.790893 8.494234 8.830275 1.335786 0.000000 6.880576 4.751544 3.638626 2.363242 2.740810 4.131731 4.941266 4.007984 2.434686 4.820192 6.131590 6.650204 7.111141 8.040615 6.149626 8.374944 8.828134 9.156744 9.912434 1.330963 2.152836 0.000000 6.799932 4.228282 2.926990 2.348405 3.439072 4.587918 4.900109 2.813845 3.728351 5.524480 5.323099 5.472900 6.508967 6.814071 4.767063 7.626506 7.801289 8.545466 8.842414 1.335720 2.150720 2.152905 0.000000 6.216868 5.060526 5.445994 6.835377 7.696118 7.357061 6.153027 4.889601 8.768930 8.212033 3.786010 2.522650 4.266868 1.513391 2.744729 3.777522 2.510973 4.681578 2.741809 7.592186 7.495163 8.894290 7.434659 0.000000 6.819117 5.132753 5.171471 6.505925 7.550312 7.452420 6.378682 4.395687 8.579394 8.408569 4.125386 2.738421 4.938439 2.363164 2.416633 4.745351 3.634084 5.741801 4.023456 7.018924 6.783996 8.347793 6.773566 1.332535 0.000000 6.861815 5.993123 6.452212 7.838722 8.658572 8.249975 7.011271 5.920152 9.735161 9.056973 4.656755 3.519982 4.920394 2.352813 3.832113 4.194277 2.855644 4.927742 2.680134 8.612563 8.388517 9.910160 8.560128 1.334007 2.152973 0.000000 6.769081 5.754037 6.157799 7.518145 8.351588 7.988122 6.788570 5.620554 9.413422 8.810659 4.496153 3.327495 4.878645 2.346543 3.531571 4.295378 3.042520 5.095088 3.052960 8.264395 8.314089 9.550976 7.936492 1.336089 2.152226 2.150607 0.000000 3.221570 5.969969 7.229933 7.504194 6.627660 5.247801 4.866969 8.128922 7.130677 4.620962 5.969087 7.232153 4.868426 7.506829 8.128322 5.250732 6.627856 4.623942 7.132466 8.988600 9.614374 9.361854 9.671534 8.981058 9.789433 9.414626 9.401597 0.000000 4.311192 7.052487 8.298196 8.518930 7.577450 6.216306 5.924633 9.210120 8.000026 5.497514 7.051602 8.300404 5.926157 8.521775 9.209522 6.219192 7.577788 5.500527 8.001966 9.987855 10.627538 10.294396 10.688001 9.978207 10.826611 10.362737 10.367364 1.089622 0.000000 2.841150 5.618996 6.972602 7.501705 6.852767 5.470330 4.755792 7.744892 7.532974 5.101319 5.283675 6.414220 4.031888 6.479223 7.398015 4.128122 5.463751 3.359559 5.859900 9.012847 9.544058 9.574398 9.619307 7.903984 8.815565 8.240174 8.305872 1.403459 2.145486 0.000000 1.888385 4.520625 5.899553 6.574871 6.105955 4.773239 3.840434 6.598313 6.910802 4.645432 4.046308 5.146114 2.768663 5.226310 6.140014 2.905574 4.271882 2.274932 4.777502 8.079880 8.557764 8.764471 8.633994 6.670773 7.552375 7.056537 7.119833 2.369199 3.317064 1.272548 0.000000 2.841306 5.284230 6.411531 6.475490 5.462942 4.125081 4.029952 7.397763 5.857607 3.356451 5.617849 6.974330 4.756617 7.503014 7.743496 5.473060 6.852251 5.103963 7.534103 7.915035 8.613268 8.165705 8.644436 9.011360 9.658832 9.587249 9.482866 1.403386 2.145422 2.473262 2.902956 0.000000 1.888307 4.046572 5.143155 5.222551 4.271197 2.902408 2.766488 6.139384 4.775488 2.272046 4.519166 5.900848 3.840497 6.575145 6.596471 4.775414 6.104713 4.647293 6.911161 6.679541 7.380651 7.001555 7.396667 8.082499 8.623595 8.747939 8.598495 2.368931 3.316869 2.902599 2.752186 1.272527 0.000000 4.184125 6.866333 8.245329 8.884827 8.310234 6.937049 6.137034 8.930064 9.019462 6.600352 6.302240 7.262981 4.971522 7.059071 8.310534 4.679148 5.853332 3.683983 5.979378 10.394279 10.870853 11.015218 10.961717 8.363023 9.413082 8.517592 8.684188 2.517404 2.693829 1.500443 2.346012 3.832555 4.397935 0.000000 5.007897 7.765989 9.129521 9.669095 8.981533 7.593289 6.926063 9.869707 9.604467 7.124020 7.307373 8.317923 5.993888 8.150380 9.353197 5.767270 6.949724 4.780088 7.059378 11.179169 11.691874 11.712636 11.786800 9.459226 10.505586 9.605057 9.765463 2.633391 2.344178 2.171059 3.279043 4.036627 4.861924 1.096598 0.000000 4.459698 7.006550 8.391802 9.122540 8.638200 7.285787 6.393089 9.009174 9.399938 7.033118 6.306844 7.151432 4.976838 6.821292 8.213912 4.509483 5.566261 3.481834 5.583842 10.624749 11.146338 11.312447 11.067500 8.044102 9.166470 8.221565 8.206522 3.218134 3.439156 2.129795 2.646535 4.446390 4.891422 1.101206 1.792109 0.000000 4.452605 6.977416 8.344599 9.065918 8.588109 7.252393 6.371576 8.957879 9.344533 7.007903 6.296196 7.157143 4.968950 6.847434 8.217458 4.527159 5.600238 3.507623 5.635820 10.554900 10.901382 11.238428 11.166339 8.091275 9.152636 8.088773 8.515037 3.249723 3.482200 2.133597 2.620879 4.477386 4.912909 1.100667 1.794405 1.772809 0.000000 4.184115 6.302122 7.259540 7.053594 5.851141 4.675792 4.968837 8.309123 5.975754 3.680440 6.864735 8.246393 6.137377 8.885280 8.927743 6.939556 8.309327 6.602938 9.020309 8.379990 9.149783 8.395584 9.164364 10.394564 10.967456 11.016062 10.866372 2.517655 2.694269 3.832787 4.398333 1.500450 2.345906 5.029078 4.975202 5.678333 5.715849 0.000000 4.451749 6.293786 7.150886 6.838431 5.595128 4.522143 4.964496 8.212924 5.629416 3.503486 6.973703 8.342871 6.370090 9.063108 8.952575 7.253143 8.584754 7.009338 9.342974 8.102736 9.000575 8.041056 8.792609 10.551469 11.072102 11.285981 10.940677 3.249298 3.481718 4.477181 4.913126 2.133499 2.621189 5.715344 5.709783 6.212599 6.489783 1.100688 0.000000 5.008084 7.307507 8.314670 8.145071 6.947575 5.763957 5.991422 9.352114 7.055663 4.776559 7.764673 9.130986 6.926945 9.670363 9.867809 7.596240 8.981248 7.127182 9.605984 9.476358 10.235885 9.480894 10.255321 11.176640 11.825898 11.736515 11.615145 2.633929 2.344963 4.037241 4.862638 2.171137 3.279030 4.975543 4.683439 5.657864 5.710566 1.096597 1.794377 0.000000 4.460200 6.308195 7.150080 6.817954 5.565893 4.507702 4.975282 8.214359 5.582121 3.478961 7.006453 8.394681 6.394320 9.124737 9.008696 7.289353 8.638823 7.036143 9.402278 8.070365 8.756987 7.993366 8.977575 10.633090 11.112818 11.232357 11.217872 3.218984 3.440583 4.446871 4.891714 2.129869 2.645848 5.678774 5.657995 6.431753 6.213675 1.101198 1.772771 1.792165 0.000000 C17H13CoF6N2O2(1+,2) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 437.1177191999997 AuxInfo=1/0/N:5,17,6,16,3,12,4,14,2,11,20,24,21,22,23,25,26,27,7,13;34,38,28,30,32,31,33;1/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14,15,16,17,18)(19,20);(1,2)(4,5)(6,7);/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,19-1,20-1;3.3,4.3,5.3,6-1,7-1;/rA:41nCoC3C3C3C3C3NHHHC3C3NC3HC3C3HHCFFFCFFFC3HC3OC3OCHHHCHHH/rB:;s2;s3;s4;s5;s1s2s6;s3;s5;s6;s2;s11;s1s11;s12;s12;s13;s14s16;s16;s17;s4;s20;s20;s20;s14;s24;s24;s24;;s28;s28;s1s30;s28;s1s32;s30;s34;s34;s34;s32;s38;s38;s38;/rC:1.8287,-.0042,.0052;-.872,-.7502,.0021;-2.0132,-1.5393,.0368;-1.8592,-2.925,.0166;-.5884,-3.4802,-.0428;.5057,-2.6208,-.0723;.3602,-1.297,-.0478;-3.0046,-1.0881,.0847;-.4309,-4.5581,-.0609;1.5313,-2.9906,-.1142;-.8744,.729,.0219;-2.0224,1.513,-.0096;.3532,1.2807,.0657;-1.8765,2.896,.006;-3.0095,1.0547,-.0518;.4924,2.6077,.0881;-.6047,3.4588,.0609;1.5165,2.9817,.1263;-.4533,4.5386,.0771;-3.0974,-3.7927,.0631;-3.8018,-3.5582,1.1737;-2.8046,-5.0908,.0372;-3.8983,-3.5369,-.9748;-3.089,3.7982,-.072;-4.2232,3.1348,.1496;-3.016,4.786,.8216;-3.1823,4.3613,-1.2801;5.0503,.0026,-.0086;6.1399,.0051,-.0141;4.3845,1.2322,.1126;3.1195,1.3675,.1401;4.3889,-1.2299,-.1225;3.1243,-1.3706,-.1372;5.1687,2.5072,.2161;6.2516,2.3346,.2227;4.9096,3.156,-.6351;4.8759,3.04,1.1336;5.1772,-2.5018,-.2336;4.8783,-3.0352,-1.1488;6.2593,-2.325,-.2499;4.9282,-3.1522,.6194;/R:/0/N:34,38,5,17,6,16,28,3,12,30,32,4,14,2,11,20,24,1,21,22,23,25,26,27,7,13,31,33/E:(1,2)(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)(16,17)(19,20,21,22,23,24)(25,26)(27,28)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,18.4 0.1433855 0.1229557 0.0678794 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 1189 1189 1189 1189 1189 MxSgAt= 41 MxSgA2= 41. 1 open 1 1 1 -2897.77602695732 -2897.79754876819 -0.021521810867 -2897.80969761635 -0.012148848166 -2897.81483380980 -0.005136193445 -2897.81878222411 -0.003948414313 -2897.81958230233 -0.000800078219 -2897.81962760825 -0.000045305924 -2897.81963243161 -0.000004823356 -2897.81963329543 -0.000000863824 -2897.81963368730 -0.000000391870 -2897.81963375231 -0.000000065009 -2897.81963378675 -0.000000034438 -2897.81963380539 -0.000000018640 -2897.81963382720 -0.000000021809 -2897.81963384123 -0.000000014029 -2897.81963385127 -0.000000010038 -2897.81963385397 -0.000000002699 -2897.81963385446 -0.000000000494 -2897.81963385466 -0.000000000204 -2897.81963385468 -0.000000000022 -2897.81963385464 0.000000000041 -2897.81963385 21 0.7694 2.890333545018e+03 -1.324111053689e+04 4.247600449127e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 7527202816 LenX= 7524061508 LenY= 7522505252 Requested convergence on RMS density matrix=1.00D-08 within 32 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. 0.7694 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 Co C C C C C N H H H C C N C H C C H H C F F F C F F F C H C O C O C H H H C H H H 59 13 13 13 13 13 14 1 1 1 13 13 14 13 1 13 13 1 1 13 19 19 19 13 19 19 19 13 1 13 17 13 17 13 1 1 1 13 1 1 1 0.70932 -0.00058 0.00061 -0.00146 -0.00026 -0.00188 -0.01408 -0.00018 -0.00008 -0.00013 -0.00071 0.00065 -0.01405 -0.00147 -0.00018 -0.00181 -0.00027 -0.00014 -0.00008 0.00056 -0.00039 0.00003 -0.00039 0.00057 0.00000 -0.00021 -0.00045 0.00210 0.00006 -0.00003 -0.00139 -0.00002 -0.00139 -0.00258 -0.00016 -0.00011 -0.00008 -0.00258 -0.00008 -0.00016 -0.00011 750.39719 -0.64946 0.68097 -1.64452 -0.28766 -2.11733 -4.55067 -0.81005 -0.35183 -0.57508 -0.79423 0.72530 -4.54059 -1.65486 -0.81248 -2.03894 -0.29885 -0.60610 -0.36235 0.63150 -1.65483 0.13703 -1.63411 0.64364 0.01080 -0.87576 -1.90901 2.36399 0.26419 -0.02946 0.84056 -0.02705 0.84364 -2.89593 -0.72962 -0.48708 -0.36853 -2.89833 -0.37198 -0.73047 -0.48364 267.76038 -0.23175 0.24299 -0.58681 -0.10264 -0.75552 -1.62379 -0.28905 -0.12554 -0.20520 -0.28340 0.25880 -1.62020 -0.59050 -0.28991 -0.72755 -0.10664 -0.21627 -0.12929 0.22533 -0.59048 0.04890 -0.58309 0.22966 0.00385 -0.31249 -0.68118 0.84353 0.09427 -0.01051 0.29993 -0.00965 0.30103 -1.03334 -0.26035 -0.17380 -0.13150 -1.03420 -0.13273 -0.26065 -0.17257 250.30556 -0.21664 0.22715 -0.54855 -0.09595 -0.70626 -1.51794 -0.27020 -0.11736 -0.19183 -0.26493 0.24193 -1.51458 -0.55200 -0.27101 -0.68012 -0.09969 -0.20217 -0.12087 0.21064 -0.55199 0.04571 -0.54508 0.21469 0.00360 -0.29212 -0.63678 0.78854 0.08812 -0.00983 0.28038 -0.00902 0.28141 -0.96598 -0.24337 -0.16247 -0.12293 -0.96678 -0.12408 -0.24366 -0.16133 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 -1.311702 0.015157 0.001047 0.007122 -0.002161 0.002570 -0.007731 0.002297 -0.000572 -0.006562 0.015651 0.000998 -0.007717 0.007125 0.002302 0.002267 -0.002201 -0.006485 -0.000570 0.000627 -0.001447 0.000440 -0.001586 0.000691 0.000604 0.000884 0.000561 0.009760 0.003644 0.012519 0.036072 0.012568 0.036059 0.001521 0.001127 0.000917 0.000865 0.001513 0.000868 0.001136 0.000944 -1.457660 -0.000841 -0.003087 0.006348 0.000789 0.012233 0.004139 -0.001347 0.001425 0.011405 -0.000461 -0.003134 0.004004 0.006380 -0.001357 0.011755 0.000708 0.011325 0.001431 0.000218 0.000971 0.000360 0.000979 0.000168 0.000206 -0.001200 -0.000850 -0.011793 -0.002243 0.001117 -0.080456 0.001071 -0.080473 -0.002105 -0.000340 0.000602 0.000550 -0.002098 0.000534 -0.000351 0.000582 2.769362 -0.014315 0.002040 -0.013470 0.001372 -0.014803 0.003591 -0.000949 -0.000853 -0.004843 -0.015190 0.002136 0.003713 -0.013505 -0.000946 -0.014022 0.001493 -0.004839 -0.000861 -0.000845 0.000477 -0.000800 0.000607 -0.000859 -0.000811 0.000316 0.000289 0.002033 -0.001401 -0.013636 0.044384 -0.013638 0.044415 0.000584 -0.000787 -0.001519 -0.001416 0.000585 -0.001402 -0.000784 -0.001525 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 -0.001590 0.007216 0.001362 0.001900 0.001285 0.006383 0.004227 0.000703 0.001343 0.002227 -0.007122 -0.001311 -0.004293 -0.001887 -0.000681 -0.006414 -0.001342 -0.002284 -0.001357 0.000800 0.000027 0.000736 0.000016 -0.000786 -0.000723 -0.000005 0.000862 0.000038 0.000012 0.006172 -0.018555 -0.006110 0.018906 -0.000934 0.001519 0.002383 0.002294 0.000951 -0.002292 -0.001513 -0.002380 0.012864 -0.000082 0.000261 -0.000782 0.000206 -0.000229 0.002030 -0.000047 0.000039 0.000128 -0.000034 -0.000265 -0.002051 0.000917 0.000031 0.000104 -0.000200 -0.000119 -0.000038 -0.000020 0.000637 -0.000037 -0.000402 0.000033 -0.000441 -0.000098 -0.000658 -0.000016 -0.000021 0.000146 -0.003215 -0.000395 0.003387 -0.000015 0.000127 -0.000493 0.000870 0.000017 -0.000892 -0.000143 0.000472 -0.343698 0.000009 -0.000057 0.000221 0.000045 0.001085 0.001431 -0.000012 0.000043 0.000705 0.000061 -0.000019 0.001482 0.000046 -0.000008 0.001092 0.000068 0.000716 0.000046 0.000002 0.000086 0.000001 -0.000051 -0.000011 -0.000025 0.000150 0.000975 -0.000817 -0.000065 0.001340 -0.015813 0.001361 -0.015967 -0.000140 0.000051 -0.000043 0.000377 -0.000160 0.000392 0.000062 -0.000021 0.0032 0.9967 0.0805 1.0 -0.0029 -0.0034 0.0032 -0.0805 0.9967 -1.4854 -1.3117 2.7972 -187.578 -165.646 353.224 -66.933 -59.106 126.039 -62.569 -55.253 117.823 1 Co 59 0.0034 -0.0025 1.0 -0.3588 0.9334 0.0035 0.9334 0.3588 -0.0023 -0.0143 -0.0036 0.0179 -1.921 -0.485 2.406 -0.685 -0.173 0.859 -0.641 -0.162 0.803 2 C 13 -0.2882 0.9573 0.0235 0.9019 0.2796 -0.3293 0.3218 0.0737 0.9439 -0.0035 0.0014 0.0021 -0.469 0.184 0.285 -0.168 0.066 0.102 -0.157 0.061 0.095 3 C 13 0.0392 -0.0149 0.9991 -0.6288 0.7767 0.0362 0.7765 0.6297 -0.0211 -0.0135 0.0048 0.0087 -1.812 0.647 1.165 -0.647 0.231 0.416 -0.604 0.216 0.389 4 C 13 0.936 -0.3491 -0.044 0.2737 0.8009 -0.5325 0.2212 0.4864 0.8453 -0.0027 0.0012 0.0015 -0.356 0.161 0.195 -0.127 0.057 0.07 -0.119 0.054 0.065 5 C 13 0.0304 -0.0471 0.9984 0.8955 -0.4424 -0.0481 0.444 0.8956 0.0288 -0.0149 -6.0E-4 0.0154 -1.994 -0.077 2.071 -0.712 -0.027 0.739 -0.665 -0.026 0.691 6 C 13 0.9505 -0.2872 -0.1182 -0.064 -0.5535 0.8304 0.3039 0.7817 0.5445 -0.0093 0.0025 0.0068 -0.357 0.096 0.261 -0.127 0.034 0.093 -0.119 0.032 0.087 7 N 14 -0.1831 0.9831 0.0064 0.0152 -0.0037 0.9999 0.983 0.1831 -0.0143 -0.0015 -0.001 0.0024 -0.789 -0.507 1.296 -0.281 -0.181 0.462 -0.263 -0.169 0.432 8 H 1 0.8931 -0.4481 -0.0399 0.0271 -0.0349 0.999 0.4491 0.8933 0.019 -0.0012 -9.0E-4 0.0021 -0.666 -0.455 1.121 -0.238 -0.162 0.4 -0.222 -0.152 0.374 9 H 1 0.9925 -0.1204 -0.0211 0.0157 -0.0454 0.9988 0.1212 0.9917 0.0432 -0.0068 -0.0049 0.0117 -3.647 -2.6 6.247 -1.301 -0.928 2.229 -1.216 -0.867 2.084 10 H 1 2.0E-4 -0.0041 1.0 0.3541 0.9352 0.0038 0.9352 -0.3541 -0.0016 -0.0152 -0.0032 0.0183 -2.038 -0.424 2.462 -0.727 -0.151 0.879 -0.68 -0.141 0.821 11 C 13 0.2798 0.9599 0.0163 0.9185 -0.2726 0.2864 -0.2794 0.0652 0.958 -0.0035 0.0013 0.0022 -0.472 0.175 0.297 -0.168 0.062 0.106 -0.157 0.058 0.099 12 C 13 0.9489 0.2934 0.1162 0.0774 -0.5734 0.8156 -0.3059 0.7649 0.5669 -0.0093 0.0025 0.0068 -0.359 0.095 0.263 -0.128 0.034 0.094 -0.12 0.032 0.088 13 N 14 -0.0449 -0.0065 0.999 0.63 0.7759 0.0334 0.7753 -0.6308 0.0307 -0.0135 0.0048 0.0087 -1.818 0.651 1.167 -0.649 0.232 0.416 -0.606 0.217 0.389 14 C 13 0.1771 0.9842 0.0051 -0.0102 -0.0033 0.9999 0.9841 -0.1771 0.0095 -0.0015 -9.0E-4 0.0024 -0.789 -0.505 1.294 -0.282 -0.18 0.462 -0.263 -0.168 0.432 15 H 1 -0.0254 -0.0485 0.9985 0.8932 0.4474 0.0445 -0.4489 0.893 0.032 -0.0141 -9.0E-4 0.015 -1.889 -0.126 2.015 -0.674 -0.045 0.719 -0.63 -0.042 0.672 16 C 13 0.9311 0.3626 0.0383 -0.3206 0.8643 -0.3876 -0.1737 0.3486 0.921 -0.0027 0.0012 0.0016 -0.367 0.158 0.209 -0.131 0.056 0.075 -0.122 0.053 0.07 17 C 13 0.9921 0.1246 0.015 -0.0094 -0.0455 0.9989 -0.1251 0.9912 0.0439 -0.0068 -0.0049 0.0116 -3.614 -2.599 6.213 -1.29 -0.927 2.217 -1.206 -0.867 2.072 18 H 1 0.8924 0.4501 0.0334 -0.0209 -0.0326 0.9992 -0.4508 0.8924 0.0197 -0.0013 -9.0E-4 0.0021 -0.67 -0.46 1.13 -0.239 -0.164 0.403 -0.223 -0.153 0.377 19 H 1 0.0245 -0.02 0.9995 -0.6131 0.7894 0.0308 0.7897 0.6135 -0.0071 -8.0E-4 -4.0E-4 0.0012 -0.113 -0.054 0.168 -0.04 -0.019 0.06 -0.038 -0.018 0.056 20 C 13 0.9575 -2.0E-4 -0.2884 0.2779 -0.2661 0.923 0.0769 0.964 0.2547 -0.0016 6.0E-4 0.001 -0.823 0.323 0.5 -0.294 0.115 0.178 -0.275 0.108 0.167 21 F 19 0.0483 -0.0316 0.9983 -0.6858 0.7257 0.0561 0.7262 0.6873 -0.0134 -8.0E-4 -3.0E-4 0.0011 -0.403 -0.169 0.571 -0.144 -0.06 0.204 -0.134 -0.056 0.191 22 F 19 0.9846 -0.0027 0.1746 -0.1716 0.1695 0.9705 0.0322 0.9855 -0.1664 -0.0017 7.0E-4 0.001 -0.832 0.336 0.496 -0.297 0.12 0.177 -0.278 0.112 0.166 23 F 19 -0.0263 -0.0098 0.9996 0.5844 0.8111 0.0233 0.811 -0.5848 0.0156 -9.0E-4 -4.0E-4 0.0013 -0.115 -0.054 0.169 -0.041 -0.019 0.06 -0.038 -0.018 0.056 24 C 13 0.3563 0.2345 0.9045 0.4786 0.7856 -0.3922 0.8025 -0.5726 -0.1677 -0.001 -2.0E-4 0.0012 -0.498 -0.111 0.609 -0.178 -0.04 0.217 -0.166 -0.037 0.203 25 F 19 -0.0023 0.9952 -0.0977 0.1688 0.0967 0.9809 0.9857 -0.0142 -0.1682 -0.0012 3.0E-4 9.0E-4 -0.61 0.157 0.452 -0.218 0.056 0.161 -0.203 0.053 0.151 26 F 19 -0.4034 0.783 -0.4734 0.4127 0.6175 0.6696 0.8166 0.0748 -0.5723 -0.0019 8.0E-4 0.0011 -0.946 0.393 0.553 -0.338 0.14 0.197 -0.316 0.131 0.184 27 F 19 -0.0017 0.9983 0.0588 0.0024 -0.0588 0.9983 1.0 0.0018 -0.0023 -0.0118 0.0021 0.0098 -1.589 0.279 1.31 -0.567 0.1 0.467 -0.53 0.093 0.437 28 C 13 -0.0017 0.9971 0.0764 0.0044 -0.0764 0.9971 1.0 0.0021 -0.0043 -0.0022 -0.0014 0.0036 -1.199 -0.745 1.944 -0.428 -0.266 0.694 -0.4 -0.249 0.649 29 H 1 0.0172 -0.0968 0.9952 -0.4026 0.9104 0.0955 0.9152 0.4023 0.0233 -0.0138 -0.0015 0.0152 -1.847 -0.197 2.044 -0.659 -0.07 0.73 -0.616 -0.066 0.682 30 C 13 0.1531 0.9805 0.1233 0.9814 -0.1655 0.0977 -0.1162 -0.1061 0.9876 -0.0853 0.0389 0.0465 6.175 -2.813 -3.362 2.203 -1.004 -1.2 2.06 -0.938 -1.121 31 O 17 -0.0069 -0.0942 0.9955 0.3995 0.9124 0.0891 0.9167 -0.3984 -0.0313 -0.0138 -0.0015 0.0152 -1.847 -0.198 2.045 -0.659 -0.07 0.73 -0.616 -0.066 0.682 32 C 13 -0.1559 0.9799 0.1245 0.9792 0.1698 -0.1108 0.1297 -0.1046 0.986 -0.0855 0.039 0.0466 6.187 -2.819 -3.369 2.208 -1.006 -1.202 2.064 -0.94 -1.124 33 O 17 0.2352 0.9708 0.0477 -0.0266 -0.0426 0.9987 0.9716 -0.2362 0.0158 -0.0023 6.0E-4 0.0017 -0.314 0.079 0.235 -0.112 0.028 0.084 -0.105 0.026 0.078 34 C 13 -0.5327 0.8449 0.049 -0.0135 -0.0664 0.9977 0.8462 0.5308 0.0468 -0.0013 -8.0E-4 0.0021 -0.691 -0.423 1.113 -0.246 -0.151 0.397 -0.23 -0.141 0.371 35 H 1 0.5499 -0.5129 0.6592 -0.4038 0.5276 0.7474 0.7311 0.6772 -0.083 -0.0019 -0.0013 0.0032 -1.012 -0.685 1.697 -0.361 -0.244 0.605 -0.338 -0.228 0.566 36 H 1 -0.576 0.4319 0.694 0.3756 -0.6143 0.694 0.7261 0.6604 0.1916 -0.0019 -0.0013 0.0032 -1.016 -0.682 1.698 -0.362 -0.243 0.606 -0.339 -0.227 0.566 37 H 1 -0.2393 0.9694 0.0543 0.031 -0.0483 0.9984 0.9704 0.2406 -0.0185 -0.0023 6.0E-4 0.0017 -0.314 0.08 0.235 -0.112 0.028 0.084 -0.105 0.027 0.078 38 C 13 0.5802 0.4341 0.6892 -0.3675 -0.6156 0.6971 0.7269 -0.6577 -0.1976 -0.0019 -0.0013 0.0032 -1.017 -0.682 1.699 -0.363 -0.243 0.606 -0.339 -0.228 0.567 39 H 1 0.5299 0.8469 0.045 0.0218 -0.0666 0.9975 0.8478 -0.5276 -0.0537 -0.0013 -8.0E-4 0.0021 -0.691 -0.422 1.113 -0.246 -0.151 0.397 -0.23 -0.141 0.371 40 H 1 PT11344.800S 2024-10-31T13:47:04.000 -276.98702 -32.77202 -28.33334 -28.33238 -28.33190 -24.54129 -24.54098 -24.53932 -24.53879 -24.53877 -24.53855 -18.98247 -18.98246 -14.23824 -14.23816 -10.30861 -10.30855 -10.13454 -10.13453 -10.13288 -10.13262 -10.11509 -10.11465 -10.10961 -10.10959 -10.09410 -10.09370 -10.08913 -10.08911 -10.04760 -10.04757 -10.03541 -3.74489 -2.40912 -2.39160 -2.38848 -1.30356 -1.30353 -1.22019 -1.21994 -1.21766 -1.21747 -1.02892 -1.01531 -0.97343 -0.94683 -0.82492 -0.81939 -0.79485 -0.75286 -0.74221 -0.71269 -0.70590 -0.69760 -0.66718 -0.65952 -0.63468 -0.61861 -0.61196 -0.56902 -0.56763 -0.56584 -0.56583 -0.56423 -0.55362 -0.52598 -0.51775 -0.50214 -0.48182 -0.47493 -0.47235 -0.46586 -0.46407 -0.44749 -0.43831 -0.43691 -0.43561 -0.43302 -0.43299 -0.42996 -0.42438 -0.41835 -0.40727 -0.40056 -0.39955 -0.39482 -0.39371 -0.39228 -0.39043 -0.38205 -0.37687 -0.37669 -0.37174 -0.36955 -0.36814 -0.36364 -0.35895 -0.34940 -0.34503 -0.33405 -0.33042 -0.32196 -0.31275 -0.30377 -0.29949 -0.28899 -0.25795 -0.25272 -0.24101 -0.24006 -0.22471 -0.22171 -0.20751 -0.11932 -0.10923 -0.08888 -0.08420 -0.07203 -0.03403 0.02216 0.03868 0.04686 0.06303 0.06628 0.06966 0.08433 0.08705 0.09192 0.09566 0.09722 0.10454 0.10755 0.11797 0.12135 0.12804 0.13098 0.13165 0.13272 0.13537 0.13793 0.14078 0.14526 0.15276 0.15477 0.15644 0.16119 0.16798 0.17132 0.17588 0.19364 0.19802 0.20322 0.20466 0.20833 0.21178 0.21225 0.21385 0.21600 0.22101 0.22938 0.23368 0.23487 0.23872 0.24201 0.24227 0.24571 0.24744 0.25049 0.25622 0.25725 0.26503 0.27263 0.27755 0.27885 0.28022 0.28575 0.28957 0.29444 0.29667 0.30192 0.30522 0.30854 0.30989 0.31821 0.32148 0.32481 0.33725 0.34060 0.34617 0.35005 0.35223 0.35709 0.35892 0.36316 0.36451 0.36859 0.36927 0.37985 0.38204 0.38625 0.38818 0.39032 0.39412 0.40423 0.40622 0.40829 0.41049 0.41965 0.42434 0.42455 0.43154 0.43562 0.43738 0.44402 0.44645 0.45380 0.45885 0.46073 0.46360 0.46667 0.47284 0.47847 0.48601 0.49141 0.49926 0.50239 0.50984 0.51406 0.52268 0.52462 0.52691 0.53123 0.53536 0.53639 0.54034 0.54858 0.55865 0.56774 0.56993 0.57189 0.58010 0.59131 0.59296 0.59652 0.60071 0.60180 0.60271 0.60584 0.61211 0.61373 0.61640 0.62520 0.62915 0.63209 0.63778 0.63982 0.64342 0.64948 0.65105 0.65722 0.66097 0.66655 0.66893 0.67503 0.67525 0.68226 0.68418 0.68633 0.69402 0.69628 0.70174 0.70465 0.72188 0.72598 0.72995 0.73964 0.74118 0.74403 0.74957 0.75220 0.75661 0.75973 0.76796 0.77654 0.77890 0.78039 0.78300 0.79253 0.79446 0.79600 0.80240 0.81144 0.81252 0.81885 0.82471 0.83656 0.83983 0.84130 0.84761 0.85066 0.86188 0.86475 0.86761 0.87212 0.87615 0.87950 0.88173 0.88539 0.89704 0.90087 0.90510 0.91041 0.91485 0.91611 0.92290 0.92516 0.93398 0.93624 0.94561 0.94782 0.95335 0.95563 0.96063 0.96525 0.96873 0.97171 0.98168 0.98651 0.99180 1.00204 1.00394 1.00732 1.01138 1.01825 1.03317 1.03613 1.04429 1.05584 1.05818 1.06505 1.07260 1.07675 1.09263 1.09970 1.10782 1.11406 1.11570 1.12345 1.12558 1.13424 1.13667 1.14046 1.14831 1.15416 1.15574 1.16973 1.17167 1.17470 1.17877 1.18223 1.18906 1.20323 1.21460 1.22812 1.23511 1.24529 1.24676 1.24953 1.25606 1.26832 1.27203 1.28237 1.28542 1.29604 1.29755 1.30082 1.30468 1.31033 1.32332 1.32591 1.34207 1.34835 1.35064 1.35235 1.35521 1.36635 1.36782 1.37465 1.38175 1.38489 1.39553 1.40239 1.40330 1.40577 1.40616 1.41080 1.41579 1.42151 1.43266 1.43740 1.44099 1.45134 1.45357 1.45695 1.47075 1.47250 1.47768 1.49181 1.49464 1.50176 1.51037 1.51235 1.51701 1.52397 1.53502 1.53878 1.54782 1.56712 1.57038 1.58598 1.59877 1.60176 1.60417 1.60671 1.61451 1.61690 1.63068 1.63608 1.64189 1.65313 1.67182 1.68264 1.69455 1.69723 1.70761 1.71751 1.72288 1.72867 1.73753 1.73886 1.75627 1.76068 1.76761 1.77658 1.78229 1.79322 1.80139 1.80826 1.82482 1.84916 1.85577 1.86155 1.86556 1.86867 1.87555 1.87774 1.88846 1.89440 1.90171 1.92037 1.93453 1.94272 1.94697 1.95128 1.95632 1.96378 1.97159 1.97645 1.98306 1.98741 2.00010 2.00765 2.01840 2.03119 2.03788 2.04684 2.05048 2.06221 2.07323 2.08808 2.09349 2.10489 2.11407 2.11516 2.11828 2.12361 2.13844 2.14591 2.15463 2.16610 2.17078 2.18628 2.18747 2.20783 2.21146 2.21526 2.23564 2.24068 2.26466 2.27111 2.28838 2.29078 2.29225 2.31474 2.32657 2.33330 2.33779 2.34154 2.35055 2.35745 2.36292 2.36466 2.37484 2.37846 2.38049 2.39078 2.39918 2.40757 2.41593 2.42572 2.42758 2.43589 2.44527 2.45616 2.45871 2.46199 2.47920 2.48453 2.49764 2.51541 2.52222 2.52851 2.53637 2.54812 2.56052 2.56837 2.57376 2.58971 2.59204 2.59808 2.60826 2.61747 2.63670 2.64258 2.64781 2.65820 2.66896 2.67410 2.67771 2.68704 2.69276 2.70135 2.71957 2.74033 2.74163 2.74599 2.75018 2.75537 2.76109 2.77245 2.77518 2.77950 2.78349 2.78546 2.79240 2.79940 2.80451 2.81136 2.82088 2.82222 2.82554 2.83559 2.83957 2.84711 2.84818 2.86013 2.86208 2.86622 2.87028 2.87141 2.87779 2.88221 2.88586 2.89682 2.90555 2.90786 2.91425 2.91907 2.91999 2.93132 2.94513 2.94757 2.95121 2.95643 2.95993 2.96668 2.97067 2.98154 2.98399 2.99026 2.99500 2.99691 2.99744 3.00403 3.00849 3.01377 3.01924 3.02179 3.02606 3.02774 3.03118 3.04039 3.04669 3.05689 3.06439 3.06734 3.07047 3.07959 3.08561 3.09611 3.09846 3.10765 3.11687 3.12187 3.12927 3.13516 3.13969 3.14913 3.15270 3.16675 3.16903 3.17384 3.17826 3.17996 3.18533 3.18694 3.18799 3.19543 3.19703 3.20807 3.21056 3.21431 3.22209 3.22705 3.23395 3.24108 3.24329 3.25033 3.25401 3.26923 3.27135 3.27690 3.27738 3.27897 3.28298 3.28610 3.28886 3.29388 3.30178 3.30497 3.30631 3.32211 3.32934 3.34133 3.35132 3.35473 3.35864 3.36647 3.39274 3.39792 3.40649 3.40845 3.41519 3.42415 3.43197 3.43537 3.43929 3.44829 3.45405 3.46015 3.46698 3.47511 3.48350 3.48957 3.49336 3.50115 3.50955 3.51913 3.53436 3.54059 3.54567 3.55174 3.55404 3.55563 3.56499 3.57004 3.57955 3.58211 3.58801 3.59999 3.60193 3.60564 3.61064 3.61513 3.62169 3.62494 3.63267 3.63754 3.63862 3.64767 3.65059 3.65384 3.66115 3.67332 3.68236 3.69553 3.70339 3.71153 3.72859 3.73528 3.74147 3.76124 3.76543 3.77055 3.77498 3.78131 3.78449 3.79016 3.79383 3.79744 3.80830 3.81093 3.81481 3.82329 3.85066 3.86233 3.87856 3.88198 3.88844 3.89237 3.90481 3.90904 3.91818 3.92493 3.92627 3.92880 3.93902 3.94170 3.94563 3.94761 3.95563 3.95837 3.96420 3.97101 3.97392 3.98130 3.98282 3.98822 3.99216 3.99619 4.00163 4.00642 4.01329 4.01589 4.01838 4.02491 4.02942 4.03924 4.04562 4.05470 4.06790 4.07306 4.07687 4.08093 4.08878 4.09592 4.10434 4.11477 4.11700 4.12213 4.12468 4.13820 4.14683 4.14995 4.15620 4.15972 4.17134 4.18252 4.19764 4.21344 4.22410 4.23352 4.23456 4.24001 4.24272 4.24665 4.26133 4.26475 4.26688 4.27615 4.28592 4.28742 4.29325 4.30252 4.30581 4.32568 4.33620 4.34275 4.36754 4.38377 4.38769 4.39873 4.41921 4.42829 4.45345 4.46562 4.47172 4.47580 4.47913 4.48371 4.48946 4.49130 4.49711 4.50186 4.52128 4.52496 4.52776 4.53732 4.54423 4.55456 4.55727 4.55839 4.57043 4.58302 4.59297 4.60737 4.63214 4.65397 4.66199 4.66278 4.67956 4.69710 4.72426 4.73472 4.75025 4.75109 4.78345 4.78419 4.78876 4.79742 4.80794 4.81693 4.82094 4.83154 4.84528 4.87976 4.88651 4.89711 4.90133 4.91874 4.93242 4.94965 4.95884 4.96128 4.96459 4.97201 4.97323 4.98883 4.98997 5.02803 5.05332 5.06118 5.08149 5.09877 5.10497 5.12352 5.12602 5.13018 5.15519 5.16570 5.16834 5.17787 5.18234 5.20144 5.20498 5.21368 5.22718 5.23329 5.24113 5.24657 5.24948 5.26594 5.26820 5.29458 5.30191 5.31585 5.31908 5.32977 5.33101 5.33921 5.35405 5.35837 5.36397 5.37264 5.37269 5.38319 5.40062 5.41579 5.41759 5.42001 5.43027 5.44959 5.46176 5.47008 5.48547 5.51661 5.52597 5.54035 5.57148 5.58630 5.60877 5.61653 5.63267 5.63830 5.64649 5.65703 5.67040 5.70128 5.71912 5.72217 5.74234 5.75424 5.77724 5.78282 5.79010 5.81907 5.83343 5.89096 5.89786 5.91773 5.92170 5.94117 5.96126 6.11369 6.12780 6.13712 6.13975 6.15413 6.16217 6.18623 6.29193 6.35658 6.45956 6.49264 6.52776 6.60993 6.62449 6.69053 6.83418 6.87789 6.93298 6.93464 6.95330 6.97351 6.97611 6.97633 6.97848 6.98427 6.98553 6.99271 6.99279 6.99322 6.99472 6.99661 6.99749 7.00229 7.00402 7.01195 7.01374 7.01521 7.02105 7.05193 7.11747 7.12172 7.12405 7.12911 7.15216 7.16079 7.19983 7.20403 7.23067 7.23592 7.28737 7.28910 7.35651 7.35966 7.44761 7.50111 7.51626 7.51758 7.53119 7.53468 7.58946 7.59981 7.66803 7.67690 7.75229 7.76006 7.78680 7.79123 8.40446 8.40853 8.43810 8.44377 8.44917 8.45256 8.59507 8.59991 8.61735 8.62859 8.71660 8.72630 8.84329 8.84814 8.92432 8.93056 8.94469 8.95640 9.05171 9.06035 9.11014 9.11701 9.15481 9.15668 9.17283 9.17635 9.26841 9.27394 9.33269 9.33777 10.05474 10.06130 10.06391 10.08260 10.08291 10.08385 10.08445 10.18142 10.20336 10.54070 10.56288 10.60145 10.61436 10.63664 10.94609 10.96183 22.83249 22.95138 23.00029 23.00722 23.11868 23.18747 23.20566 23.24031 23.30213 23.35875 23.41780 23.50445 23.57099 23.69418 23.71101 23.73467 23.81597 32.94603 33.07738 44.42069 44.45475 57.36835 57.41489 57.48521 57.50018 57.61086 57.65509 -276.98640 -32.74458 -28.31869 -28.31796 -28.30076 -24.54129 -24.54098 -24.53933 -24.53881 -24.53878 -24.53856 -18.98307 -18.98306 -14.23860 -14.23851 -10.30860 -10.30854 -10.13464 -10.13463 -10.13299 -10.13272 -10.11521 -10.11476 -10.10973 -10.10971 -10.09407 -10.09367 -10.08912 -10.08911 -10.04767 -10.04764 -10.03541 -3.66408 -2.33713 -2.33552 -2.29696 -1.30358 -1.30355 -1.22020 -1.21995 -1.21768 -1.21750 -1.03009 -1.01659 -0.97395 -0.94734 -0.82519 -0.81968 -0.79525 -0.75318 -0.74245 -0.71309 -0.70605 -0.69769 -0.66739 -0.65965 -0.63492 -0.61883 -0.61222 -0.56917 -0.56766 -0.56588 -0.56587 -0.56426 -0.55388 -0.52616 -0.51704 -0.50235 -0.48222 -0.47527 -0.47131 -0.46607 -0.46429 -0.44776 -0.43850 -0.43689 -0.43564 -0.43318 -0.43304 -0.43004 -0.42447 -0.41852 -0.40744 -0.40074 -0.39960 -0.39502 -0.39372 -0.39247 -0.39087 -0.38101 -0.37688 -0.37670 -0.37180 -0.36859 -0.36779 -0.36379 -0.35894 -0.34931 -0.34470 -0.33343 -0.32767 -0.31835 -0.31277 -0.30394 -0.29993 -0.28753 -0.25705 -0.25290 -0.23112 -0.19913 -0.19758 -0.19170 -0.12994 -0.11881 -0.08910 -0.08473 -0.07170 -0.06924 -0.03458 0.02777 0.02847 0.04631 0.06327 0.06618 0.07023 0.07029 0.08442 0.08717 0.09161 0.09674 0.10427 0.10739 0.11722 0.11847 0.12796 0.13097 0.13150 0.13287 0.13524 0.13736 0.14109 0.14588 0.15218 0.15450 0.15539 0.16110 0.16768 0.17123 0.18366 0.18910 0.19823 0.20290 0.20409 0.20649 0.20854 0.20911 0.21352 0.21587 0.22143 0.22874 0.23252 0.23440 0.23765 0.24106 0.24175 0.24483 0.24562 0.24898 0.25556 0.25653 0.26512 0.26994 0.27637 0.27716 0.27825 0.28527 0.28709 0.29425 0.29577 0.30132 0.30470 0.30803 0.30889 0.31670 0.31912 0.32351 0.33442 0.33771 0.34312 0.34850 0.35181 0.35659 0.35822 0.36239 0.36365 0.36750 0.36980 0.37944 0.38173 0.38530 0.38757 0.38964 0.39400 0.40077 0.40593 0.40708 0.40969 0.41781 0.42120 0.42428 0.42692 0.43132 0.43540 0.43967 0.44561 0.44720 0.45699 0.45954 0.46094 0.46589 0.46974 0.47550 0.48366 0.48733 0.49525 0.49685 0.50243 0.50468 0.51169 0.52000 0.52550 0.52913 0.53272 0.53549 0.53934 0.54665 0.55623 0.56334 0.56815 0.56965 0.57864 0.59021 0.59119 0.59260 0.59743 0.60107 0.60170 0.60385 0.60639 0.61182 0.61270 0.62357 0.62758 0.63088 0.63571 0.63863 0.64351 0.64802 0.65034 0.65571 0.65875 0.66479 0.66694 0.67313 0.67416 0.67848 0.68157 0.68511 0.69018 0.69474 0.69973 0.70417 0.71922 0.72305 0.72851 0.73850 0.73945 0.74313 0.74772 0.75093 0.75539 0.75725 0.76665 0.77529 0.77757 0.77922 0.78159 0.79134 0.79286 0.79505 0.80090 0.80958 0.81161 0.81750 0.82245 0.83480 0.83877 0.84063 0.84501 0.84981 0.85938 0.86331 0.86636 0.87083 0.87397 0.87707 0.88004 0.88430 0.89577 0.89996 0.90442 0.90938 0.91333 0.91517 0.92177 0.92442 0.93286 0.93368 0.94536 0.94667 0.95195 0.95482 0.96006 0.96444 0.96782 0.97100 0.98091 0.98477 0.99147 1.00024 1.00210 1.00663 1.00992 1.01682 1.03244 1.03560 1.04287 1.05345 1.05709 1.06354 1.07076 1.07550 1.09079 1.09793 1.10537 1.11185 1.11353 1.12262 1.12298 1.13239 1.13572 1.13827 1.14241 1.14904 1.15503 1.16752 1.17005 1.17309 1.17525 1.18084 1.18841 1.20317 1.21319 1.22768 1.23231 1.24354 1.24595 1.24895 1.25556 1.26790 1.27099 1.28281 1.28509 1.29387 1.29625 1.30029 1.30397 1.30965 1.32357 1.32492 1.34121 1.34768 1.35021 1.35144 1.35395 1.36589 1.36753 1.37069 1.37998 1.38406 1.39528 1.40220 1.40295 1.40559 1.40613 1.41051 1.41496 1.42106 1.43229 1.43709 1.44052 1.45082 1.45326 1.45655 1.46989 1.47238 1.47688 1.49143 1.49438 1.50155 1.50989 1.51165 1.51651 1.52334 1.53474 1.53898 1.54671 1.56641 1.56963 1.58441 1.59819 1.60123 1.60360 1.60523 1.61381 1.61655 1.63018 1.63548 1.64092 1.65256 1.67150 1.68227 1.69416 1.69685 1.70728 1.71707 1.72258 1.72851 1.73685 1.73861 1.75550 1.76011 1.76734 1.77638 1.78079 1.79269 1.80127 1.80773 1.82390 1.84867 1.85625 1.86156 1.86521 1.86848 1.87552 1.87758 1.88760 1.89414 1.90131 1.91994 1.93398 1.94240 1.94687 1.95079 1.95609 1.96347 1.97143 1.97610 1.98269 1.98710 1.99971 2.00699 2.01662 2.03075 2.03741 2.04614 2.05013 2.06186 2.07291 2.08760 2.09280 2.10440 2.11382 2.11515 2.11805 2.12273 2.13814 2.14544 2.15394 2.16654 2.16985 2.18543 2.18670 2.20711 2.21139 2.21514 2.23724 2.24046 2.26598 2.27153 2.28828 2.29170 2.29242 2.31457 2.32615 2.33296 2.33726 2.34149 2.35036 2.35721 2.36285 2.36434 2.37436 2.37802 2.37994 2.39044 2.39940 2.40717 2.41503 2.42558 2.42711 2.43564 2.44526 2.45597 2.45852 2.46178 2.47922 2.48543 2.49749 2.51474 2.52208 2.52830 2.53661 2.54777 2.56007 2.56829 2.57368 2.58480 2.58951 2.59828 2.60380 2.61749 2.63670 2.64407 2.64913 2.65801 2.66776 2.67225 2.67629 2.68586 2.69238 2.70088 2.71891 2.73961 2.74117 2.74652 2.74882 2.75554 2.76123 2.77246 2.77618 2.77972 2.78457 2.79140 2.79475 2.80234 2.80490 2.81133 2.82114 2.82452 2.82747 2.83715 2.84002 2.84709 2.85636 2.86130 2.86351 2.86765 2.87083 2.87367 2.88138 2.88526 2.88987 2.89634 2.90689 2.90956 2.91442 2.91909 2.92124 2.93109 2.94489 2.94722 2.95179 2.95645 2.96160 2.96700 2.97054 2.98196 2.98391 2.99003 2.99482 2.99663 2.99742 3.00444 3.00796 3.01323 3.01904 3.02152 3.02598 3.02785 3.03086 3.03999 3.04684 3.05661 3.06515 3.06743 3.07097 3.08001 3.08291 3.09619 3.09819 3.10754 3.11728 3.12219 3.12965 3.13549 3.13954 3.14963 3.15245 3.16673 3.16906 3.17389 3.17801 3.17983 3.18538 3.18701 3.18812 3.19528 3.19675 3.20786 3.21018 3.21447 3.22177 3.22717 3.23416 3.24099 3.24350 3.25082 3.25369 3.26775 3.27076 3.27676 3.27725 3.27868 3.28293 3.28625 3.28870 3.29406 3.30146 3.30520 3.30646 3.32269 3.32932 3.34123 3.35143 3.35478 3.35855 3.36641 3.39258 3.39777 3.40663 3.40836 3.41546 3.42400 3.43175 3.43621 3.43953 3.44792 3.45368 3.45993 3.46694 3.47452 3.48432 3.48933 3.49329 3.50136 3.50835 3.51915 3.53639 3.54052 3.54546 3.55165 3.55377 3.55551 3.56404 3.56927 3.57924 3.58141 3.58798 3.59971 3.60178 3.60538 3.61031 3.61486 3.62158 3.62468 3.63234 3.63725 3.63833 3.64752 3.65122 3.65429 3.66155 3.67354 3.68330 3.69542 3.70374 3.71083 3.73194 3.73466 3.74236 3.76301 3.76592 3.77020 3.77611 3.78180 3.78436 3.79074 3.79425 3.80805 3.81143 3.81462 3.81944 3.82399 3.85419 3.86398 3.87885 3.88205 3.88853 3.89209 3.90377 3.90872 3.91800 3.92460 3.92600 3.92866 3.93967 3.94126 3.94540 3.94765 3.95535 3.95813 3.96335 3.97083 3.97374 3.98082 3.98275 3.98793 3.99222 3.99613 4.00131 4.00611 4.01320 4.01503 4.01815 4.02416 4.02893 4.03894 4.04545 4.05459 4.06846 4.07310 4.07666 4.08072 4.08837 4.09577 4.10411 4.11473 4.11712 4.12253 4.12465 4.13823 4.14706 4.15002 4.15633 4.15939 4.17117 4.18226 4.19741 4.21389 4.22378 4.23343 4.23451 4.23997 4.24262 4.24703 4.26111 4.26439 4.26664 4.27613 4.28568 4.28722 4.29321 4.30387 4.30722 4.32572 4.33859 4.34235 4.36740 4.38422 4.38970 4.39823 4.41894 4.42764 4.45323 4.46516 4.47145 4.47564 4.47896 4.48347 4.48947 4.49222 4.49690 4.50154 4.52167 4.52464 4.52892 4.53701 4.54414 4.55440 4.55724 4.55812 4.57127 4.58509 4.59517 4.60991 4.63198 4.65400 4.66174 4.66263 4.67881 4.69687 4.72438 4.73458 4.75004 4.75101 4.78310 4.78326 4.78806 4.79730 4.80761 4.81674 4.82066 4.83179 4.84543 4.87983 4.88647 4.89634 4.90085 4.91920 4.93186 4.94879 4.95825 4.96079 4.96414 4.97041 4.97255 4.98721 4.98949 5.02772 5.05264 5.06053 5.08070 5.09836 5.10447 5.12276 5.12526 5.12979 5.15493 5.16512 5.16851 5.17777 5.18195 5.20151 5.20485 5.21291 5.22620 5.23253 5.24073 5.24635 5.24936 5.26504 5.26738 5.29383 5.29982 5.31386 5.31815 5.32829 5.33026 5.33871 5.35358 5.35793 5.36406 5.37231 5.37242 5.38223 5.39978 5.41576 5.41755 5.41990 5.43004 5.44931 5.46039 5.46978 5.48381 5.51551 5.52464 5.54012 5.57075 5.58500 5.60856 5.61592 5.63250 5.63769 5.64562 5.65645 5.67024 5.70082 5.71793 5.72138 5.74124 5.75362 5.77730 5.78297 5.78972 5.81901 5.83307 5.89016 5.89705 5.91709 5.92070 5.94029 5.96031 6.11269 6.12639 6.13610 6.13779 6.15317 6.16066 6.18503 6.29141 6.35569 6.45792 6.49125 6.52398 6.60584 6.62366 6.68893 6.83222 6.87695 6.93296 6.93462 6.95188 6.97351 6.97610 6.97631 6.97846 6.98425 6.98550 6.99268 6.99277 6.99319 6.99365 6.99525 6.99585 7.00224 7.00398 7.01190 7.01372 7.01519 7.02093 7.04823 7.11746 7.12171 7.12403 7.12909 7.15213 7.16076 7.19981 7.20401 7.23065 7.23588 7.28734 7.28907 7.35505 7.35822 7.44476 7.49765 7.51624 7.51756 7.53120 7.53469 7.58942 7.59977 7.66800 7.67686 7.75227 7.76004 7.78679 7.79121 8.40443 8.40850 8.43807 8.44374 8.44914 8.45253 8.59505 8.59989 8.61732 8.62856 8.71657 8.72628 8.84326 8.84811 8.92429 8.93053 8.94467 8.95638 9.05168 9.06032 9.11012 9.11698 9.15478 9.15665 9.17282 9.17633 9.26839 9.27392 9.33267 9.33775 10.08293 10.08455 10.10646 10.11724 10.11790 10.12064 10.12579 10.21259 10.25758 10.58401 10.59715 10.62575 10.64886 10.66326 11.00403 11.02057 22.83244 22.95135 23.00032 23.00725 23.11864 23.18737 23.20560 23.24023 23.30205 23.35869 23.41775 23.50440 23.57096 23.69420 23.71101 23.73455 23.81585 32.94572 33.07737 44.42063 44.45469 57.36835 57.41489 57.48521 57.50018 57.61085 57.65509 2-A. 6.8424 -0.1839 0.0633 6.8452 -124.4912 -135.6835 -160.8822 0.0107 -0.2491 1.4074 15.8611 4.6688 -20.5299 0.0107 -0.2491 1.4074 182.2497 -4.0533 0.2120 85.4601 1.1516 -0.2315 -11.8523 -1.5201 0.2086 1.4687 -7820.5838 -6878.9760 -298.5682 -7.2384 -1.6909 11.5239 5.2752 0.2886 -5.2413 -2675.2689 -1578.7674 -1263.9188 19.5441 -1.7402 0.2921 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|Beta|Orbitals: (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-NODO01 FUNES 2024-10-31T00:00:00.000 0 coments 1 2 Version=ES64L-G16RevC.02 State=2-A HF=-2897.8196339 S2=0.769439 S2-1=0. S2A=0.75026 RMSD=1.629e-09 Dipole=2.691767,-0.0793585,0.0299656 Quadrupole=11.7928665,3.48564,-15.2785065,-0.0171709,-0.1374172,0.907768 PG=C01 [X(C17H13Co1F6N2O2)] 0 1.828032363 -0.0088496313 0.0071300654 0 -0.8747239774 -0.747588018 0.0050331145 0 -2.0180409889 -1.5333778713 0.0436155192 0 -1.867789435 -2.9195893204 0.0339719031 0 -0.5983424355 -3.4786283337 -0.0192000839 0 0.4981087598 -2.6223696794 -0.0531958419 0 0.3561173288 -1.2980747147 -0.0387877625 0 -3.0083255804 -1.0791893156 0.0865240131 0 -0.4437570586 -4.5570246391 -0.0290065691 0 1.522792229 -2.9951776391 -0.0906069888 0 -0.8731254074 0.7317104253 0.0138316728 0 -2.0189832024 1.5185712086 -0.0253724068 0 0.3558347363 1.280401052 0.0556224272 0 -1.8694351742 2.9011931077 -0.019785907 0 -3.0072965572 1.0626005634 -0.0658775055 0 0.4985489543 2.6071724729 0.0684024012 0 -0.5961741149 3.4609733405 0.0330914836 0 1.5236138903 2.9787479859 0.1055984368 0 -0.4419246517 4.5404926936 0.0414647919 0 -3.1083860807 -3.783635272 0.0848820481 0 -3.8139416727 -3.5390194141 1.1924371531 0 -2.8190014298 -5.0826610402 0.0690647706 0 -3.9068355671 -3.5333672232 -0.9562679174 0 -3.0793936398 3.8060810824 -0.1065666373 0 -4.2156983913 3.1473128997 0.1181209047 0 -3.005209435 4.8002218557 0.7798619078 0 -3.1691076674 4.3604371401 -1.3189087922 0 5.0495907814 -0.0107166066 -0.001318478 0 6.139206641 -0.0112106577 -0.0050504185 0 4.3869302858 1.2214653755 0.1096075553 0 3.1222297117 1.3604361487 0.1340482788 0 4.3851026257 -1.2422757098 -0.1071888499 0 3.1201188848 -1.3797232001 -0.1229542065 0 5.174360675 2.4951163129 0.204979928 0 6.2567903816 2.3196786171 0.2147207364 0 4.9184090294 3.1383393702 -0.6514119538 0 4.8814679866 3.03551044 1.1180271455 0 5.1701658305 -2.5170153743 -0.2075084527 0 4.8713164861 -3.0564427932 -1.1192220993 0 6.2527890581 -2.3432291177 -0.2233165157 0 4.9180168281 -3.1603965208 0.6498821294 Gaussian 16 31-Oct-2024 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 117 C1[X(C17H13CoF6N2O2)] UM06 def2TZVPP SP #p M06/Def2TZVPP scrf(smd,solvent=acetonitrile) scf=(XQC) geom=allcheck guess=read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 437.1177191999997 AuxInfo=1/0/N:5,17,6,16,3,12,4,14,2,11,20,24,21,22,23,25,26,27,7,13;34,38,28,30,32,31,33;1/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14,15,16,17,18)(19,20);(1,2)(4,5)(6,7);/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,19-1,20-1;3.3,4.3,5.3,6-1,7-1;/rA:41nCoC3C3C3C3C3NHHHC3C3NC3HC3C3HHCFFFCFFFC3HC3OC3OCHHHCHHH/rB:;s2;s3;s4;s5;s1s2s6;s3;s5;s6;s2;s11;s1s11;s12;s12;s13;s14s16;s16;s17;s4;s20;s20;s20;s14;s24;s24;s24;;s28;s28;s1s30;s28;s1s32;s30;s34;s34;s34;s32;s38;s38;s38;/rC:1.828,-.0089,.0071;-.8747,-.7476,.005;-2.018,-1.5334,.0436;-1.8678,-2.9196,.034;-.5983,-3.4786,-.0192;.4981,-2.6224,-.0532;.3561,-1.2981,-.0388;-3.0083,-1.0792,.0865;-.4438,-4.557,-.029;1.5228,-2.9952,-.0906;-.8731,.7317,.0138;-2.019,1.5186,-.0254;.3558,1.2804,.0556;-1.8694,2.9012,-.0198;-3.0073,1.0626,-.0659;.4985,2.6072,.0684;-.5962,3.461,.0331;1.5236,2.9787,.1056;-.4419,4.5405,.0415;-3.1084,-3.7836,.0849;-3.8139,-3.539,1.1924;-2.819,-5.0827,.0691;-3.9068,-3.5334,-.9563;-3.0794,3.8061,-.1066;-4.2157,3.1473,.1181;-3.0052,4.8002,.7799;-3.1691,4.3604,-1.3189;5.0496,-.0107,-.0013;6.1392,-.0112,-.005;4.3869,1.2215,.1096;3.1222,1.3604,.134;4.3851,-1.2423,-.1072;3.1201,-1.3797,-.123;5.1744,2.4951,.205;6.2568,2.3197,.2147;4.9184,3.1383,-.6514;4.8815,3.0355,1.118;5.1702,-2.517,-.2075;4.8713,-3.0564,-1.1192;6.2528,-2.3432,-.2233;4.918,-3.1604,.6499;/R:/0/N:34,38,5,17,6,16,28,3,12,30,32,4,14,2,11,20,24,1,21,22,23,25,26,27,7,13,31,33/E:(1,2)(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)(16,17)(19,20,21,22,23,24)(25,26)(27,28)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,18.4 chk=CoII_acac.chk Mem=57428MB NProc=16 #p M06/Def2TZVPP scrf(smd,solvent=acetonitrile) scf=(XQC) geom=allchec 1/29=7,38=1,172=1/1 2/12=2,40=1/2 3/5=44,7=202,11=2,14=-4,25=1,30=1,70=32201,72=2,74=-54,116=-2/1,2,3 4/5=1/1 5/5=2,8=3,13=1,38=6,53=2/2,8 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 coments Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 59 12 12 12 12 12 14 1 1 1 12 12 14 12 1 12 12 1 1 12 19 19 19 12 19 19 19 12 1 12 16 12 16 12 1 1 1 12 1 1 1 58.9331978 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 14.0030740 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 14.0030740 12.0000000 1.0078250 12.0000000 12.0000000 1.0078250 1.0078250 12.0000000 18.9984032 18.9984032 18.9984032 12.0000000 18.9984032 18.9984032 18.9984032 12.0000000 1.0078250 12.0000000 15.9949146 12.0000000 15.9949146 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 7 0 0 0 0 0 2 1 1 1 0 0 2 0 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 0 0 0 0 0 1 1 1 0 1 1 1 25.3800000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 4.5500000 1.0000000 1.0000000 1.0000000 3.6000000 3.6000000 4.5500000 3.6000000 1.0000000 3.6000000 3.6000000 1.0000000 1.0000000 3.6000000 6.7500000 6.7500000 6.7500000 3.6000000 6.7500000 6.7500000 6.7500000 3.6000000 1.0000000 3.6000000 5.6000000 3.6000000 5.6000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/CompChem/Gaussian/g16/l101.exe) Structure from the checkpoint file: "CoII_acac.chk" def2TZVPP (5D, 7F) 0.10000e-02 0.10000e-05 F 1247 A 1083 A 1083 1728 1247 113 112 3205.3582736085 41 41 41 1.00e+00 60 F IExCor= 4235 DFT=T Ex+Corr=M06 ExCW=0 ScaHFX= 0.270000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi= 4 PCM SMD-Coulomb. Total charges None On-the-fly selection Acetonitrile 35.688000 1.806874 0.000000 2.801898 0.000000 4.137366 1.387850 0.000000 4.704490 2.388432 1.394364 0.000000 4.234070 2.745097 2.409043 1.388109 0.000000 2.933057 2.324407 2.743408 2.386087 1.391596 0.000000 1.957229 1.349046 2.387213 2.753246 2.380376 1.331963 0.000000 4.954017 2.160754 1.090317 2.165792 3.402426 3.833537 3.373884 0.000000 5.084115 3.833888 3.409704 2.170951 1.089464 2.151880 3.355689 4.322696 0.000000 3.003478 3.287688 3.833063 3.393711 2.176703 1.091037 2.060091 4.922745 2.512066 0.000000 2.800844 1.479325 2.538177 3.784409 4.219425 3.624173 2.373570 2.800665 5.306309 4.431819 0.000000 4.139275 2.538844 3.052729 4.441132 5.195215 4.846021 3.684396 2.782028 6.276481 5.737801 1.390567 0.000000 1.957520 2.372672 3.681410 4.752357 4.854319 3.906879 2.580204 4.109282 5.892542 4.434382 1.346533 2.388105 0.000000 4.705352 3.782019 4.437513 5.821031 6.505213 6.009669 4.752609 4.141475 7.593264 6.802897 2.387555 1.390697 2.753993 0.000000 4.953155 2.798156 2.780237 4.143221 5.140817 5.085964 4.109267 2.147205 6.176834 6.081766 2.161141 1.089180 3.372366 2.162701 0.000000 2.935107 3.625509 4.845410 6.012141 6.184482 5.230956 3.909314 5.088002 7.226559 5.697428 2.324183 2.744415 1.334486 2.387797 3.833365 0.000000 4.232862 4.217863 5.192818 6.506042 6.939799 6.181583 4.853923 5.141440 8.019687 6.796117 2.743346 2.408470 2.379438 1.391885 3.402278 1.388755 0.000000 3.004681 4.432575 5.736414 6.804199 6.798234 5.696437 4.435663 6.083231 7.789514 5.977147 3.286633 3.833962 2.061695 3.396251 4.922416 1.090967 2.175155 0.000000 5.084329 5.305887 6.275034 7.595128 8.020876 7.224903 5.893401 6.178128 9.097790 7.788702 3.833213 3.409339 3.356310 2.174590 4.323007 2.150103 1.090516 2.511275 0.000000 6.214763 3.770040 2.500843 1.512695 2.530648 3.791360 4.265687 2.706297 2.776932 4.701093 5.038828 5.414088 6.135646 6.799477 4.849634 7.338438 7.668001 8.196687 8.740881 0.000000 6.760098 4.223863 2.927055 2.348030 3.436829 4.581007 4.891538 2.814751 3.726447 5.515677 5.317579 5.503104 6.473500 6.835710 4.838278 7.591884 7.790893 8.494234 8.830275 1.335786 0.000000 6.880576 4.751544 3.638626 2.363242 2.740810 4.131731 4.941266 4.007984 2.434686 4.820192 6.131590 6.650204 7.111141 8.040615 6.149626 8.374944 8.828134 9.156744 9.912434 1.330963 2.152836 0.000000 6.799932 4.228282 2.926990 2.348405 3.439072 4.587918 4.900109 2.813845 3.728351 5.524480 5.323099 5.472900 6.508967 6.814071 4.767063 7.626506 7.801289 8.545466 8.842414 1.335720 2.150720 2.152905 0.000000 6.216868 5.060526 5.445994 6.835377 7.696118 7.357061 6.153027 4.889601 8.768930 8.212033 3.786010 2.522650 4.266868 1.513391 2.744729 3.777522 2.510973 4.681578 2.741809 7.592186 7.495163 8.894290 7.434659 0.000000 6.819117 5.132753 5.171471 6.505925 7.550312 7.452420 6.378682 4.395687 8.579394 8.408569 4.125386 2.738421 4.938439 2.363164 2.416633 4.745351 3.634084 5.741801 4.023456 7.018924 6.783996 8.347793 6.773566 1.332535 0.000000 6.861815 5.993123 6.452212 7.838722 8.658572 8.249975 7.011271 5.920152 9.735161 9.056973 4.656755 3.519982 4.920394 2.352813 3.832113 4.194277 2.855644 4.927742 2.680134 8.612563 8.388517 9.910160 8.560128 1.334007 2.152973 0.000000 6.769081 5.754037 6.157799 7.518145 8.351588 7.988122 6.788570 5.620554 9.413422 8.810659 4.496153 3.327495 4.878645 2.346543 3.531571 4.295378 3.042520 5.095088 3.052960 8.264395 8.314089 9.550976 7.936492 1.336089 2.152226 2.150607 0.000000 3.221570 5.969969 7.229933 7.504194 6.627660 5.247801 4.866969 8.128922 7.130677 4.620962 5.969087 7.232153 4.868426 7.506829 8.128322 5.250732 6.627856 4.623942 7.132466 8.988600 9.614374 9.361854 9.671534 8.981058 9.789433 9.414626 9.401597 0.000000 4.311192 7.052487 8.298196 8.518930 7.577450 6.216306 5.924633 9.210120 8.000026 5.497514 7.051602 8.300404 5.926157 8.521775 9.209522 6.219192 7.577788 5.500527 8.001966 9.987855 10.627538 10.294396 10.688001 9.978207 10.826611 10.362737 10.367364 1.089622 0.000000 2.841150 5.618996 6.972602 7.501705 6.852767 5.470330 4.755792 7.744892 7.532974 5.101319 5.283675 6.414220 4.031888 6.479223 7.398015 4.128122 5.463751 3.359559 5.859900 9.012847 9.544058 9.574398 9.619307 7.903984 8.815565 8.240174 8.305872 1.403459 2.145486 0.000000 1.888385 4.520625 5.899553 6.574871 6.105955 4.773239 3.840434 6.598313 6.910802 4.645432 4.046308 5.146114 2.768663 5.226310 6.140014 2.905574 4.271882 2.274932 4.777502 8.079880 8.557764 8.764471 8.633994 6.670773 7.552375 7.056537 7.119833 2.369199 3.317064 1.272548 0.000000 2.841306 5.284230 6.411531 6.475490 5.462942 4.125081 4.029952 7.397763 5.857607 3.356451 5.617849 6.974330 4.756617 7.503014 7.743496 5.473060 6.852251 5.103963 7.534103 7.915035 8.613268 8.165705 8.644436 9.011360 9.658832 9.587249 9.482866 1.403386 2.145422 2.473262 2.902956 0.000000 1.888307 4.046572 5.143155 5.222551 4.271197 2.902408 2.766488 6.139384 4.775488 2.272046 4.519166 5.900848 3.840497 6.575145 6.596471 4.775414 6.104713 4.647293 6.911161 6.679541 7.380651 7.001555 7.396667 8.082499 8.623595 8.747939 8.598495 2.368931 3.316869 2.902599 2.752186 1.272527 0.000000 4.184125 6.866333 8.245329 8.884827 8.310234 6.937049 6.137034 8.930064 9.019462 6.600352 6.302240 7.262981 4.971522 7.059071 8.310534 4.679148 5.853332 3.683983 5.979378 10.394279 10.870853 11.015218 10.961717 8.363023 9.413082 8.517592 8.684188 2.517404 2.693829 1.500443 2.346012 3.832555 4.397935 0.000000 5.007897 7.765989 9.129521 9.669095 8.981533 7.593289 6.926063 9.869707 9.604467 7.124020 7.307373 8.317923 5.993888 8.150380 9.353197 5.767270 6.949724 4.780088 7.059378 11.179169 11.691874 11.712636 11.786800 9.459226 10.505586 9.605057 9.765463 2.633391 2.344178 2.171059 3.279043 4.036627 4.861924 1.096598 0.000000 4.459698 7.006550 8.391802 9.122540 8.638200 7.285787 6.393089 9.009174 9.399938 7.033118 6.306844 7.151432 4.976838 6.821292 8.213912 4.509483 5.566261 3.481834 5.583842 10.624749 11.146338 11.312447 11.067500 8.044102 9.166470 8.221565 8.206522 3.218134 3.439156 2.129795 2.646535 4.446390 4.891422 1.101206 1.792109 0.000000 4.452605 6.977416 8.344599 9.065918 8.588109 7.252393 6.371576 8.957879 9.344533 7.007903 6.296196 7.157143 4.968950 6.847434 8.217458 4.527159 5.600238 3.507623 5.635820 10.554900 10.901382 11.238428 11.166339 8.091275 9.152636 8.088773 8.515037 3.249723 3.482200 2.133597 2.620879 4.477386 4.912909 1.100667 1.794405 1.772809 0.000000 4.184115 6.302122 7.259540 7.053594 5.851141 4.675792 4.968837 8.309123 5.975754 3.680440 6.864735 8.246393 6.137377 8.885280 8.927743 6.939556 8.309327 6.602938 9.020309 8.379990 9.149783 8.395584 9.164364 10.394564 10.967456 11.016062 10.866372 2.517655 2.694269 3.832787 4.398333 1.500450 2.345906 5.029078 4.975202 5.678333 5.715849 0.000000 4.451749 6.293786 7.150886 6.838431 5.595128 4.522143 4.964496 8.212924 5.629416 3.503486 6.973703 8.342871 6.370090 9.063108 8.952575 7.253143 8.584754 7.009338 9.342974 8.102736 9.000575 8.041056 8.792609 10.551469 11.072102 11.285981 10.940677 3.249298 3.481718 4.477181 4.913126 2.133499 2.621189 5.715344 5.709783 6.212599 6.489783 1.100688 0.000000 5.008084 7.307507 8.314670 8.145071 6.947575 5.763957 5.991422 9.352114 7.055663 4.776559 7.764673 9.130986 6.926945 9.670363 9.867809 7.596240 8.981248 7.127182 9.605984 9.476358 10.235885 9.480894 10.255321 11.176640 11.825898 11.736515 11.615145 2.633929 2.344963 4.037241 4.862638 2.171137 3.279030 4.975543 4.683439 5.657864 5.710566 1.096597 1.794377 0.000000 4.460200 6.308195 7.150080 6.817954 5.565893 4.507702 4.975282 8.214359 5.582121 3.478961 7.006453 8.394681 6.394320 9.124737 9.008696 7.289353 8.638823 7.036143 9.402278 8.070365 8.756987 7.993366 8.977575 10.633090 11.112818 11.232357 11.217872 3.218984 3.440583 4.446871 4.891714 2.129869 2.645848 5.678774 5.657995 6.431753 6.213675 1.101198 1.772771 1.792165 0.000000 C17H13CoF6N2O2(1+,2) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 437.1177191999997 AuxInfo=1/0/N:5,17,6,16,3,12,4,14,2,11,20,24,21,22,23,25,26,27,7,13;34,38,28,30,32,31,33;1/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14,15,16,17,18)(19,20);(1,2)(4,5)(6,7);/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,19-1,20-1;3.3,4.3,5.3,6-1,7-1;/rA:41nCoC3C3C3C3C3NHHHC3C3NC3HC3C3HHCFFFCFFFC3HC3OC3OCHHHCHHH/rB:;s2;s3;s4;s5;s1s2s6;s3;s5;s6;s2;s11;s1s11;s12;s12;s13;s14s16;s16;s17;s4;s20;s20;s20;s14;s24;s24;s24;;s28;s28;s1s30;s28;s1s32;s30;s34;s34;s34;s32;s38;s38;s38;/rC:1.8287,-.0042,.0052;-.872,-.7502,.0021;-2.0132,-1.5393,.0368;-1.8592,-2.925,.0166;-.5884,-3.4802,-.0428;.5057,-2.6208,-.0723;.3602,-1.297,-.0478;-3.0046,-1.0881,.0847;-.4309,-4.5581,-.0609;1.5313,-2.9906,-.1142;-.8744,.729,.0219;-2.0224,1.513,-.0096;.3532,1.2807,.0657;-1.8765,2.896,.006;-3.0095,1.0547,-.0518;.4924,2.6077,.0881;-.6047,3.4588,.0609;1.5165,2.9817,.1263;-.4533,4.5386,.0771;-3.0974,-3.7927,.0631;-3.8018,-3.5582,1.1737;-2.8046,-5.0908,.0372;-3.8983,-3.5369,-.9748;-3.089,3.7982,-.072;-4.2232,3.1348,.1496;-3.016,4.786,.8216;-3.1823,4.3613,-1.2801;5.0503,.0026,-.0086;6.1399,.0051,-.0141;4.3845,1.2322,.1126;3.1195,1.3675,.1401;4.3889,-1.2299,-.1225;3.1243,-1.3706,-.1372;5.1687,2.5072,.2161;6.2516,2.3346,.2227;4.9096,3.156,-.6351;4.8759,3.04,1.1336;5.1772,-2.5018,-.2336;4.8783,-3.0352,-1.1488;6.2593,-2.325,-.2499;4.9282,-3.1522,.6194;/R:/0/N:34,38,5,17,6,16,28,3,12,30,32,4,14,2,11,20,24,1,21,22,23,25,26,27,7,13,31,33/E:(1,2)(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)(16,17)(19,20,21,22,23,24)(25,26)(27,28)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,18.4 0.1433855 0.1229557 0.0678794 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 1189 1189 1189 1189 1189 MxSgAt= 41 MxSgA2= 41. 1 open 1 1 1 -2897.13907976156 -2897.17845375750 -0.039373995935 -2897.17427538268 0.004178374816 -2897.18066905591 -0.006393673227 -2897.18115746689 -0.000488410985 -2897.18120444192 -0.000046975026 -2897.18121887375 -0.000014431830 -2897.18122215222 -0.000003278469 -2897.18122254020 -0.000000387980 -2897.18122273145 -0.000000191249 -2897.18122280531 -0.000000073861 -2897.18122286600 -0.000000060692 -2897.18122291489 -0.000000048887 -2897.18122296300 -0.000000048119 -2897.18122300180 -0.000000038800 -2897.18122302088 -0.000000019077 -2897.18122304590 -0.000000025017 -2897.18122308612 -0.000000040224 -2897.18122310878 -0.000000022654 -2897.18122311445 -0.000000005670 -2897.18122311519 -0.000000000739 -2897.18122311558 -0.000000000392 -2897.18122311564 -0.000000000061 -2897.18122311582 -0.000000000178 -2897.18122311576 0.000000000055 -2897.18122311573 0.000000000032 -2897.18122311576 -0.000000000028 -2897.18122311577 -0.000000000011 -2897.18122311577 0.000000000002 -2897.18122312 29 0.7599 2.888727756811e+03 -1.323941340245e+04 4.248147513633e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 7527202816 LenX= 7524061508 LenY= 7522505252 Requested convergence on RMS density matrix=1.00D-08 within 32 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. 0.7599 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 Co C C C C C N H H H C C N C H C C H H C F F F C F F F C H C O C O C H H H C H H H 59 13 13 13 13 13 14 1 1 1 13 13 14 13 1 13 13 1 1 13 19 19 19 13 19 19 19 13 1 13 17 13 17 13 1 1 1 13 1 1 1 0.83254 0.00003 0.00044 -0.00076 0.00005 -0.00100 -0.01168 -0.00011 -0.00006 -0.00003 -0.00003 0.00045 -0.01166 -0.00076 -0.00011 -0.00096 0.00005 -0.00004 -0.00007 0.00036 -0.00022 0.00001 -0.00022 0.00036 -0.00000 -0.00012 -0.00026 0.00169 0.00004 -0.00003 -0.00117 -0.00002 -0.00116 -0.00110 -0.00008 -0.00010 -0.00008 -0.00110 -0.00008 -0.00008 -0.00010 880.75446 0.03698 0.49251 -0.84952 0.05414 -1.12067 -3.77243 -0.49213 -0.28366 -0.15550 -0.03618 0.51045 -3.76679 -0.85895 -0.49035 -1.08228 0.05543 -0.17519 -0.29674 0.39984 -0.93559 0.05403 -0.92330 0.40472 -0.00433 -0.50887 -1.08470 1.89522 0.15708 -0.02949 0.70858 -0.02771 0.70462 -1.23473 -0.34735 -0.46108 -0.36639 -1.23560 -0.36866 -0.34741 -0.45896 314.27509 0.01320 0.17574 -0.30313 0.01932 -0.39988 -1.34610 -0.17560 -0.10122 -0.05549 -0.01291 0.18214 -1.34408 -0.30650 -0.17497 -0.38619 0.01978 -0.06251 -0.10588 0.14267 -0.33384 0.01928 -0.32946 0.14441 -0.00155 -0.18158 -0.38705 0.67626 0.05605 -0.01052 0.25284 -0.00989 0.25143 -0.44058 -0.12394 -0.16453 -0.13074 -0.44089 -0.13155 -0.12396 -0.16377 293.78806 0.01234 0.16428 -0.28337 0.01806 -0.37382 -1.25835 -0.16416 -0.09462 -0.05187 -0.01207 0.17027 -1.25646 -0.28652 -0.16356 -0.36101 0.01849 -0.05844 -0.09898 0.13337 -0.31208 0.01802 -0.30798 0.13500 -0.00144 -0.16974 -0.36182 0.63218 0.05240 -0.00984 0.23636 -0.00924 0.23504 -0.41186 -0.11586 -0.15380 -0.12221 -0.41215 -0.12297 -0.11588 -0.15309 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 -1.467001 0.014576 0.001206 0.005310 -0.002226 0.001926 -0.005622 0.002310 -0.000629 -0.006033 0.014922 0.001195 -0.005553 0.005320 0.002313 0.001749 -0.002272 -0.005974 -0.000627 0.000585 -0.000632 0.000339 -0.000697 0.000605 0.000636 0.000601 0.000417 0.008838 0.003685 0.011700 0.017453 0.011753 0.017505 0.001564 0.001327 0.000815 0.000768 0.001571 0.000772 0.001335 0.000841 -1.651653 -0.001904 -0.003099 0.004437 0.000321 0.011654 0.000247 -0.001262 0.001585 0.010866 -0.001663 -0.003124 0.000097 0.004456 -0.001268 0.011315 0.000228 0.010806 0.001589 0.000133 0.000532 0.000333 0.000533 0.000118 0.000042 -0.000596 -0.000441 -0.008311 -0.002083 0.000909 -0.038980 0.000858 -0.039053 -0.000782 -0.000357 0.000692 0.000594 -0.000792 0.000576 -0.000369 0.000672 3.118654 -0.012672 0.001893 -0.009747 0.001905 -0.013580 0.005375 -0.001047 -0.000956 -0.004833 -0.013259 0.001929 0.005456 -0.009776 -0.001046 -0.013065 0.002045 -0.004832 -0.000962 -0.000718 0.000100 -0.000671 0.000164 -0.000723 -0.000679 -0.000005 0.000024 -0.000527 -0.001602 -0.012609 0.021527 -0.012611 0.021548 -0.000782 -0.000969 -0.001507 -0.001362 -0.000779 -0.001349 -0.000967 -0.001513 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 -0.001394 0.006277 0.001627 0.001875 0.001869 0.006604 0.009250 0.000659 0.001291 0.002036 -0.006191 -0.001585 -0.009274 -0.001866 -0.000639 -0.006638 -0.001905 -0.002098 -0.001303 0.000842 0.000249 0.000717 0.000242 -0.000837 -0.000659 -0.000245 0.000260 0.000031 0.000012 0.006542 -0.001146 -0.006482 0.001314 0.001075 0.001456 0.002398 0.002312 -0.001063 -0.002308 -0.001449 -0.002399 0.016283 -0.000120 0.000222 -0.000543 0.000257 -0.000203 0.001904 -0.000052 0.000036 0.000111 0.000002 -0.000225 -0.001929 0.000632 0.000036 0.000107 -0.000258 -0.000105 -0.000036 -0.000015 0.000252 -0.000023 -0.000128 0.000025 -0.000263 -0.000101 -0.000305 -0.000026 -0.000023 0.000131 -0.001006 -0.000366 0.001120 0.000109 0.000129 -0.000459 0.000834 -0.000125 -0.000854 -0.000148 0.000440 -0.381105 0.000040 -0.000070 0.000146 0.000015 0.000823 0.000878 -0.000011 0.000046 0.000669 0.000083 -0.000032 0.000975 0.000028 -0.000008 0.000841 0.000035 0.000680 0.000048 -0.000004 0.000005 -0.000001 0.000009 -0.000012 -0.000007 0.000151 0.000460 -0.000516 -0.000040 0.001213 -0.007740 0.001247 -0.007797 0.000028 0.000059 -0.000246 0.000587 0.000032 0.000603 0.000071 -0.000224 5.0E-4 0.9969 0.0791 1.0 -2.0E-4 -0.0036 0.0035 -0.0791 0.9969 -1.6819 -1.4671 3.149 -212.39 -185.259 397.649 -75.786 -66.105 141.891 -70.846 -61.796 132.641 1 Co 59 0.0061 -0.0072 1.0 -0.3197 0.9475 0.0088 0.9475 0.3197 -0.0035 -0.0127 -0.004 0.0167 -1.701 -0.54 2.24 -0.607 -0.193 0.799 -0.567 -0.18 0.747 2 C 13 -0.3187 0.9475 0.0247 0.7769 0.276 -0.566 0.5431 0.1611 0.8241 -0.0036 0.0016 0.002 -0.49 0.218 0.272 -0.175 0.078 0.097 -0.163 0.073 0.091 3 C 13 0.0378 -0.0153 0.9992 -0.6189 0.7846 0.0355 0.7845 0.6198 -0.0202 -0.0098 0.003 0.0068 -1.311 0.398 0.913 -0.468 0.142 0.326 -0.437 0.133 0.305 4 C 13 0.8838 -0.4658 -0.0429 0.4484 0.8698 -0.2059 0.1333 0.1628 0.9776 -0.0032 0.0013 0.0019 -0.432 0.172 0.261 -0.154 0.061 0.093 -0.144 0.057 0.087 5 C 13 0.0302 -0.0404 0.9987 0.8924 -0.449 -0.0451 0.4503 0.8926 0.0225 -0.0136 -0.0014 0.015 -1.828 -0.186 2.014 -0.652 -0.066 0.719 -0.61 -0.062 0.672 6 C 13 0.8088 -0.5852 -0.0576 -0.2829 -0.4731 0.8343 0.5155 0.6585 0.5483 -0.0124 0.0042 0.0082 -0.48 0.163 0.317 -0.171 0.058 0.113 -0.16 0.054 0.106 7 N 14 -0.1757 0.9844 0.0061 0.0162 -0.0033 0.9999 0.9843 0.1758 -0.0154 -0.0014 -0.001 0.0024 -0.736 -0.559 1.296 -0.263 -0.2 0.462 -0.246 -0.187 0.432 8 H 1 0.9078 -0.4164 -0.0493 0.0373 -0.037 0.9986 0.4177 0.9084 0.018 -0.0012 -0.001 0.0022 -0.653 -0.51 1.163 -0.233 -0.182 0.415 -0.218 -0.17 0.388 9 H 1 0.9929 -0.1171 -0.0219 0.0167 -0.0447 0.9989 0.1179 0.9921 0.0424 -0.0063 -0.0049 0.0111 -3.348 -2.594 5.942 -1.195 -0.925 2.12 -1.117 -0.865 1.982 10 H 1 -0.0019 -0.0082 1.0 0.3152 0.949 0.0083 0.949 -0.3152 -8.0E-4 -0.0133 -0.0037 0.017 -1.779 -0.499 2.278 -0.635 -0.178 0.813 -0.594 -0.166 0.76 11 C 13 0.312 0.9499 0.018 0.8116 -0.2763 0.5147 -0.4939 0.146 0.8572 -0.0036 0.0016 0.0021 -0.489 0.214 0.276 -0.175 0.076 0.098 -0.163 0.071 0.092 12 C 13 0.8056 0.59 0.0546 0.2998 -0.4853 0.8213 -0.511 0.6452 0.5679 -0.0125 0.0042 0.0083 -0.481 0.161 0.32 -0.172 0.057 0.114 -0.16 0.054 0.107 13 N 14 -0.0426 -0.0075 0.9991 0.6187 0.7849 0.0323 0.7844 -0.6195 0.0288 -0.0098 0.003 0.0068 -1.315 0.401 0.915 -0.469 0.143 0.326 -0.439 0.134 0.305 14 C 13 0.1705 0.9853 0.0039 -0.0111 -0.002 0.9999 0.9853 -0.1705 0.0106 -0.0014 -0.001 0.0024 -0.735 -0.558 1.294 -0.262 -0.199 0.462 -0.245 -0.186 0.431 15 H 1 -0.0257 -0.0414 0.9988 0.8902 0.4537 0.0417 -0.4549 0.8902 0.0252 -0.0131 -0.0016 0.0147 -1.758 -0.219 1.977 -0.627 -0.078 0.705 -0.586 -0.073 0.659 16 C 13 0.8799 0.4736 0.0393 -0.4597 0.8692 -0.1823 -0.1205 0.1423 0.9825 -0.0033 0.0012 0.0021 -0.444 0.165 0.279 -0.158 0.059 0.1 -0.148 0.055 0.093 17 C 13 0.9925 0.1216 0.0153 -0.0099 -0.0447 0.999 -0.1222 0.9916 0.0431 -0.0062 -0.0049 0.0111 -3.325 -2.594 5.919 -1.187 -0.925 2.112 -1.109 -0.865 1.974 18 H 1 0.907 0.4186 0.0455 -0.0334 -0.0361 0.9988 -0.4197 0.9075 0.0187 -0.0012 -0.001 0.0022 -0.656 -0.513 1.17 -0.234 -0.183 0.417 -0.219 -0.171 0.39 19 H 1 0.0243 -0.0195 0.9995 -0.6081 0.7933 0.0302 0.7935 0.6085 -0.0074 -7.0E-4 -5.0E-4 0.0012 -0.096 -0.069 0.165 -0.034 -0.025 0.059 -0.032 -0.023 0.055 20 C 13 0.9432 -0.1819 -0.2779 0.246 -0.1792 0.9526 0.2231 0.9668 0.1243 -8.0E-4 2.0E-4 6.0E-4 -0.379 0.082 0.296 -0.135 0.029 0.106 -0.126 0.027 0.099 21 F 19 0.0437 -0.0302 0.9986 -0.7042 0.708 0.0522 0.7086 0.7055 -0.0096 -7.0E-4 -4.0E-4 0.0011 -0.338 -0.191 0.529 -0.121 -0.068 0.189 -0.113 -0.064 0.176 22 F 19 0.9735 -0.1829 0.1371 -0.1278 0.0619 0.9899 0.1895 0.9812 -0.0369 -8.0E-4 2.0E-4 6.0E-4 -0.382 0.091 0.291 -0.136 0.032 0.104 -0.127 0.03 0.097 23 F 19 -0.0259 -0.0118 0.9996 0.5998 0.7998 0.025 0.7997 -0.6002 0.0136 -7.0E-4 -5.0E-4 0.0012 -0.097 -0.068 0.165 -0.035 -0.024 0.059 -0.032 -0.023 0.055 24 C 13 0.2891 0.2446 0.9255 0.4589 0.813 -0.3583 0.8401 -0.5283 -0.1228 -8.0E-4 -3.0E-4 0.0011 -0.383 -0.164 0.547 -0.137 -0.059 0.195 -0.128 -0.055 0.182 25 F 19 0.1711 0.9662 -0.1931 0.223 0.1529 0.9628 0.9597 -0.2078 -0.1893 -7.0E-4 -0.0 7.0E-4 -0.336 -0.002 0.339 -0.12 -0.001 0.121 -0.112 -0.001 0.113 26 F 19 -0.2925 0.7976 -0.5276 0.3681 0.6031 0.7077 0.8826 0.0128 -0.47 -8.0E-4 3.0E-4 6.0E-4 -0.422 0.129 0.293 -0.151 0.046 0.105 -0.141 0.043 0.098 27 F 19 -0.0017 0.9978 0.0659 0.003 -0.0659 0.9978 1.0 0.0019 -0.0028 -0.0083 -5.0E-4 0.0088 -1.12 -0.066 1.186 -0.4 -0.024 0.423 -0.374 -0.022 0.396 28 C 13 -0.0017 0.9965 0.0833 0.0045 -0.0833 0.9965 1.0 0.0021 -0.0044 -0.0021 -0.0016 0.0037 -1.113 -0.853 1.966 -0.397 -0.304 0.702 -0.371 -0.285 0.656 29 H 1 0.0211 -0.0986 0.9949 -0.4277 0.8986 0.0981 0.9037 0.4276 0.0232 -0.0127 -0.0021 0.0148 -1.708 -0.278 1.986 -0.609 -0.099 0.709 -0.57 -0.093 0.662 30 C 13 0.022 0.9919 0.1252 0.9863 -0.042 0.1594 -0.1633 -0.12 0.9793 -0.04 0.0173 0.0226 2.893 -1.255 -1.638 1.032 -0.448 -0.585 0.965 -0.419 -0.547 31 O 17 -0.0106 -0.0964 0.9953 0.4247 0.9007 0.0918 0.9053 -0.4237 -0.0314 -0.0127 -0.0021 0.0148 -1.708 -0.278 1.986 -0.609 -0.099 0.709 -0.57 -0.093 0.662 32 C 13 -0.0251 0.9917 0.1259 0.9833 0.0472 -0.1755 0.18 -0.1194 0.9764 -0.0401 0.0174 0.0227 2.9 -1.257 -1.643 1.035 -0.448 -0.586 0.967 -0.419 -0.548 33 O 17 -0.3631 0.9312 0.0317 -0.0263 -0.0442 0.9987 0.9314 0.3618 0.0405 -0.0012 -8.0E-4 0.002 -0.161 -0.106 0.267 -0.057 -0.038 0.095 -0.054 -0.035 0.089 34 C 13 -0.501 0.8635 0.0585 -0.0096 -0.0732 0.9973 0.8654 0.4991 0.0449 -0.0012 -0.001 0.0022 -0.639 -0.52 1.16 -0.228 -0.186 0.414 -0.213 -0.174 0.387 35 H 1 0.6029 -0.5315 0.5949 -0.3554 0.4887 0.7968 0.7143 0.6919 -0.1057 -0.0018 -0.0015 0.0032 -0.935 -0.776 1.711 -0.334 -0.277 0.61 -0.312 -0.259 0.571 36 H 1 -0.6248 0.4551 0.6344 0.3287 -0.5837 0.7424 0.7082 0.6724 0.2152 -0.0018 -0.0015 0.0032 -0.94 -0.776 1.716 -0.335 -0.277 0.612 -0.314 -0.259 0.572 37 H 1 0.3594 0.9325 0.0366 0.03 -0.0508 0.9983 0.9327 -0.3577 -0.0462 -0.0012 -8.0E-4 0.002 -0.161 -0.105 0.266 -0.057 -0.038 0.095 -0.054 -0.035 0.089 38 C 13 0.6284 0.4577 0.629 -0.32 -0.5849 0.7453 0.709 -0.6697 -0.2211 -0.0018 -0.0015 0.0032 -0.941 -0.776 1.717 -0.336 -0.277 0.613 -0.314 -0.259 0.573 39 H 1 0.4981 0.8654 0.0544 0.0182 -0.0731 0.9972 0.8669 -0.4957 -0.0521 -0.0012 -0.001 0.0022 -0.639 -0.52 1.159 -0.228 -0.186 0.414 -0.213 -0.173 0.387 40 H 1 PT29467.800S 2024-10-31T14:18:48.000 -277.82032 -33.09719 -28.65775 -28.65634 -28.64950 -24.82415 -24.82388 -24.82223 -24.82178 -24.82175 -24.82152 -19.22557 -19.22556 -14.45832 -14.45823 -10.51046 -10.51040 -10.33196 -10.33195 -10.32920 -10.32873 -10.31079 -10.31011 -10.30611 -10.30609 -10.28769 -10.28718 -10.28252 -10.28250 -10.23506 -10.23503 -10.22204 -3.84266 -2.50443 -2.49196 -2.48904 -1.37150 -1.37147 -1.28538 -1.28514 -1.28277 -1.28262 -1.08110 -1.06643 -1.02762 -1.00027 -0.87860 -0.87254 -0.84695 -0.80144 -0.79254 -0.76479 -0.76088 -0.75723 -0.71586 -0.71205 -0.69465 -0.67730 -0.66853 -0.63578 -0.63481 -0.63476 -0.63153 -0.63012 -0.60074 -0.58438 -0.57310 -0.55793 -0.53640 -0.52977 -0.52716 -0.52101 -0.51644 -0.50933 -0.50833 -0.50681 -0.50386 -0.49876 -0.48826 -0.48374 -0.47924 -0.47346 -0.46997 -0.46938 -0.46402 -0.46140 -0.45235 -0.44848 -0.44846 -0.44531 -0.44304 -0.43904 -0.42977 -0.42014 -0.41767 -0.41189 -0.40797 -0.39539 -0.39309 -0.38569 -0.38448 -0.37053 -0.35765 -0.34738 -0.34223 -0.33862 -0.31603 -0.30808 -0.30454 -0.30014 -0.29158 -0.28500 -0.25381 -0.10057 -0.06693 -0.06137 -0.05973 -0.04669 -0.01014 -0.00098 0.05264 0.05569 0.05828 0.05874 0.07294 0.07408 0.07614 0.08306 0.09967 0.10449 0.10551 0.11246 0.11564 0.12084 0.12106 0.12420 0.12800 0.12853 0.13297 0.13757 0.14131 0.14429 0.14982 0.15430 0.15601 0.15664 0.16082 0.16906 0.17023 0.19124 0.19621 0.19679 0.19708 0.20043 0.20280 0.20418 0.21025 0.21210 0.21850 0.22697 0.22989 0.23205 0.23491 0.23675 0.24239 0.24391 0.24472 0.24601 0.24645 0.25850 0.26691 0.26745 0.26947 0.27534 0.28291 0.28440 0.28557 0.28707 0.28821 0.29476 0.29785 0.30576 0.30902 0.31371 0.31695 0.32206 0.32463 0.32947 0.33588 0.33897 0.34336 0.34412 0.34551 0.35420 0.35598 0.36077 0.36601 0.37277 0.37441 0.37625 0.37721 0.38214 0.38453 0.39288 0.39770 0.39847 0.39877 0.40218 0.41242 0.42002 0.42485 0.43036 0.43158 0.43340 0.43616 0.44140 0.44302 0.44867 0.45391 0.45840 0.46276 0.46818 0.47662 0.48123 0.49090 0.49130 0.49416 0.50703 0.51075 0.51406 0.51796 0.52053 0.52537 0.52755 0.52987 0.53571 0.54812 0.55878 0.56028 0.56753 0.57316 0.58440 0.58692 0.58865 0.58997 0.59387 0.59460 0.59881 0.60226 0.60581 0.60876 0.61717 0.62201 0.62742 0.62975 0.63227 0.63355 0.64286 0.64744 0.65016 0.65260 0.66110 0.66490 0.66611 0.67146 0.67378 0.67499 0.68287 0.68781 0.69472 0.69847 0.70503 0.71773 0.71882 0.72186 0.72623 0.73203 0.73855 0.74120 0.74629 0.74883 0.75390 0.75742 0.76608 0.76932 0.77675 0.77728 0.78304 0.78615 0.79172 0.79758 0.80071 0.80575 0.80982 0.81535 0.82425 0.82893 0.83306 0.83691 0.84499 0.85119 0.85669 0.86129 0.86328 0.86656 0.86811 0.87010 0.87830 0.88846 0.88950 0.89856 0.89910 0.90454 0.90761 0.90798 0.91646 0.92030 0.92491 0.93368 0.93702 0.93745 0.94896 0.95024 0.95678 0.95823 0.95994 0.96907 0.97657 0.97853 0.98537 0.98979 0.99339 0.99741 1.00187 1.01612 1.02035 1.02506 1.03777 1.04232 1.05029 1.05825 1.06280 1.07896 1.08487 1.08722 1.09288 1.09913 1.10573 1.10767 1.11272 1.11630 1.12300 1.13015 1.13282 1.13899 1.14937 1.15213 1.15555 1.15858 1.16468 1.17034 1.17991 1.19195 1.20202 1.20594 1.21834 1.22180 1.22737 1.23090 1.23977 1.24648 1.25977 1.26106 1.26931 1.27198 1.27525 1.27864 1.28956 1.29786 1.29989 1.31521 1.32200 1.32420 1.32583 1.33025 1.33909 1.34150 1.34692 1.35139 1.35444 1.36255 1.36504 1.37026 1.37208 1.37439 1.38087 1.38643 1.39023 1.40071 1.40533 1.40800 1.41493 1.41763 1.42201 1.43512 1.43632 1.44574 1.45588 1.46476 1.46733 1.47383 1.47865 1.48301 1.49011 1.49892 1.50505 1.50742 1.53163 1.53423 1.55079 1.56086 1.56330 1.56537 1.57344 1.57913 1.58131 1.59119 1.59832 1.60928 1.61352 1.64067 1.64965 1.65724 1.66656 1.67401 1.68594 1.69225 1.69553 1.70102 1.70412 1.72052 1.72440 1.73316 1.74009 1.74547 1.75485 1.76389 1.76893 1.78539 1.80908 1.81960 1.82819 1.82980 1.83264 1.84843 1.85853 1.86910 1.87922 1.88593 1.88982 1.89172 1.90565 1.91574 1.91988 1.93048 1.93987 1.94151 1.94389 1.95469 1.95649 1.96752 1.97371 1.97604 1.99081 1.99765 2.00661 2.01543 2.01896 2.02669 2.03969 2.05563 2.05654 2.07595 2.08163 2.10033 2.10789 2.11350 2.11492 2.12610 2.12970 2.13114 2.14487 2.15359 2.16196 2.18257 2.19863 2.20035 2.21565 2.22622 2.22872 2.25388 2.26670 2.27422 2.27872 2.29062 2.29840 2.30569 2.31332 2.31539 2.31873 2.33146 2.33466 2.34067 2.34707 2.35344 2.35787 2.36530 2.37223 2.37747 2.38487 2.38801 2.39293 2.39811 2.40241 2.40653 2.41720 2.43025 2.45010 2.45559 2.47160 2.49076 2.49452 2.50470 2.50940 2.51968 2.52804 2.53352 2.55114 2.55465 2.56280 2.56752 2.58335 2.59189 2.60032 2.60437 2.61572 2.62572 2.62717 2.63767 2.64206 2.64669 2.65761 2.67309 2.67837 2.68182 2.68220 2.68757 2.69003 2.70120 2.70423 2.71137 2.71405 2.71573 2.72719 2.72926 2.73684 2.74442 2.75117 2.75704 2.76535 2.76735 2.77222 2.78085 2.78884 2.79438 2.79717 2.79976 2.80766 2.81033 2.81477 2.81874 2.82225 2.82484 2.83613 2.84466 2.84844 2.85165 2.85929 2.86594 2.86874 2.87691 2.88039 2.88241 2.88613 2.89046 2.89579 2.89896 2.90947 2.91795 2.92513 2.92808 2.92936 2.93366 2.93624 2.93820 2.94214 2.94757 2.95156 2.95342 2.95605 2.96380 2.97455 2.98254 2.99557 2.99678 3.00097 3.00665 3.00859 3.01411 3.01971 3.02508 3.03182 3.04023 3.04852 3.05333 3.05991 3.06367 3.06869 3.06981 3.09006 3.09460 3.09857 3.10286 3.10509 3.10980 3.11517 3.11878 3.12285 3.12531 3.12907 3.13680 3.15057 3.15320 3.15520 3.15897 3.16411 3.17015 3.17298 3.18365 3.19216 3.19431 3.19472 3.19931 3.20046 3.20745 3.21140 3.21217 3.22194 3.22708 3.23269 3.23883 3.25701 3.25903 3.26443 3.27250 3.27978 3.28683 3.28835 3.29531 3.30435 3.31165 3.32516 3.33035 3.33763 3.34134 3.34894 3.35356 3.35648 3.36326 3.36692 3.37261 3.37790 3.39203 3.39769 3.40423 3.41087 3.42181 3.42593 3.42967 3.43615 3.44405 3.45169 3.45715 3.45843 3.45956 3.46345 3.46969 3.47440 3.48340 3.48656 3.48943 3.49769 3.50350 3.50710 3.50868 3.51363 3.51579 3.52145 3.52749 3.54119 3.54439 3.54901 3.55645 3.57358 3.58375 3.58697 3.59763 3.60281 3.62156 3.62839 3.63616 3.64486 3.65178 3.65647 3.66447 3.66604 3.67078 3.68052 3.68352 3.70277 3.71239 3.72067 3.72978 3.73970 3.75550 3.76408 3.76943 3.77224 3.77637 3.78023 3.78556 3.79311 3.79642 3.80634 3.81199 3.81522 3.81965 3.82021 3.82558 3.83062 3.83284 3.84000 3.84496 3.84798 3.84837 3.85140 3.86041 3.86894 3.87509 3.88417 3.88837 3.90189 3.90351 3.90547 3.92955 3.94307 3.94615 3.95800 3.95844 3.96232 3.96514 3.96848 3.97647 3.97907 3.98567 3.98679 3.99054 3.99384 3.99912 4.00326 4.00742 4.01020 4.02644 4.02941 4.03944 4.04376 4.05069 4.05359 4.06202 4.07180 4.07515 4.07769 4.07876 4.09486 4.10154 4.10450 4.11123 4.11294 4.12047 4.13726 4.14389 4.15094 4.15905 4.16497 4.18266 4.18706 4.19489 4.20286 4.20419 4.22997 4.23251 4.24329 4.27386 4.27800 4.29722 4.29963 4.30041 4.31355 4.31408 4.32002 4.32512 4.33408 4.34365 4.34880 4.35325 4.36485 4.36763 4.36832 4.37634 4.37835 4.39204 4.40885 4.42464 4.42667 4.45338 4.47186 4.47789 4.48300 4.50000 4.50854 4.51419 4.54157 4.55195 4.56808 4.57497 4.59001 4.59510 4.60119 4.60331 4.63310 4.63864 4.64034 4.65315 4.65966 4.66487 4.69143 4.70078 4.71856 4.73208 4.75451 4.75917 4.76154 4.76900 4.79140 4.80393 4.82116 4.82810 4.84401 4.85334 4.86947 4.88176 4.88711 4.91361 4.92947 4.93519 4.95024 4.95167 4.96204 4.98209 4.98773 4.99301 5.00002 5.00149 5.01724 5.02884 5.02959 5.03212 5.04990 5.05357 5.06158 5.08190 5.08642 5.10324 5.11173 5.11560 5.12837 5.12949 5.13676 5.14577 5.15134 5.16485 5.17777 5.18834 5.18906 5.18987 5.19279 5.20200 5.22157 5.23619 5.25780 5.27785 5.28106 5.29373 5.29991 5.32007 5.33564 5.34858 5.36943 5.38569 5.40478 5.41170 5.43835 5.45035 5.45754 5.48628 5.49323 5.50298 5.51770 5.53579 5.54256 5.55110 5.55746 5.57944 5.58502 5.59708 5.60147 5.62861 5.67877 5.70652 5.72143 5.74984 5.77329 5.79068 5.89789 5.91953 5.95665 5.95805 5.99705 6.00118 6.02107 6.08081 6.14949 6.30193 6.32878 6.38471 6.47255 6.51704 6.55118 6.63124 6.71497 6.81325 6.81469 6.83561 6.84743 6.85150 6.85382 6.85424 6.85628 6.86173 6.86290 6.86969 6.87039 6.87061 6.87153 6.87805 6.87984 6.88412 6.88654 6.88905 6.89026 6.89068 6.95953 6.99259 6.99650 6.99700 7.00176 7.02370 7.03173 7.07507 7.07896 7.10348 7.10764 7.15490 7.15642 7.23399 7.23474 7.32280 7.37218 7.37974 7.38083 7.39135 7.39470 7.44513 7.45387 7.53591 7.54353 7.60925 7.61645 7.64198 7.64621 8.35066 8.35430 8.38216 8.38753 8.39192 8.39559 8.53040 8.53490 8.55147 8.56196 8.64509 8.65447 8.74619 8.75101 8.82937 8.83545 8.84815 8.85925 8.95416 8.96215 9.00853 9.01526 9.04397 9.04586 9.06140 9.06461 9.15896 9.16419 9.22004 9.22495 9.97683 9.98235 9.98442 9.99996 10.00575 10.00609 10.00987 10.09831 10.12177 10.55743 10.56928 10.59438 10.62166 10.64231 10.93221 10.94650 22.70470 22.82687 22.87118 22.87784 22.98807 23.05741 23.07506 23.11065 23.17225 23.22735 23.28572 23.37616 23.43871 23.56440 23.58020 23.59971 23.68017 32.77502 32.90554 44.20436 44.23820 57.08985 57.13610 57.20616 57.22104 57.33080 57.37475 -277.81976 -33.08277 -28.64716 -28.64633 -28.62682 -24.82415 -24.82388 -24.82223 -24.82178 -24.82176 -24.82153 -19.22582 -19.22581 -14.45855 -14.45846 -10.51045 -10.51039 -10.33203 -10.33202 -10.32927 -10.32880 -10.31087 -10.31019 -10.30619 -10.30617 -10.28765 -10.28714 -10.28250 -10.28247 -10.23509 -10.23506 -10.22202 -3.77111 -2.44149 -2.44049 -2.39744 -1.37151 -1.37148 -1.28538 -1.28514 -1.28279 -1.28264 -1.08166 -1.06711 -1.02785 -1.00052 -0.87872 -0.87270 -0.84721 -0.80155 -0.79267 -0.76483 -0.76110 -0.75726 -0.71595 -0.71213 -0.69477 -0.67740 -0.66874 -0.63580 -0.63484 -0.63478 -0.63158 -0.63020 -0.60091 -0.58451 -0.57153 -0.55805 -0.53676 -0.53002 -0.52655 -0.52097 -0.51650 -0.50935 -0.50832 -0.50679 -0.50384 -0.49882 -0.48827 -0.48378 -0.47928 -0.47349 -0.47000 -0.46919 -0.46403 -0.46142 -0.45175 -0.44849 -0.44847 -0.44555 -0.44347 -0.43751 -0.42934 -0.41974 -0.41735 -0.41195 -0.40782 -0.39515 -0.39172 -0.38203 -0.37961 -0.36817 -0.35581 -0.34622 -0.33909 -0.33851 -0.30503 -0.28640 -0.27880 -0.27617 -0.26325 -0.24495 -0.10023 -0.08844 -0.06704 -0.06176 -0.04629 -0.03001 -0.01057 0.01209 0.04752 0.05264 0.05757 0.05848 0.07291 0.07410 0.07628 0.08320 0.09126 0.10445 0.10546 0.11230 0.11549 0.12075 0.12099 0.12388 0.12792 0.12831 0.13294 0.13799 0.14133 0.14476 0.14959 0.15424 0.15589 0.15817 0.16096 0.16909 0.17104 0.19107 0.19608 0.19618 0.19648 0.20016 0.20143 0.20383 0.20992 0.21197 0.21885 0.22658 0.22979 0.23198 0.23436 0.23654 0.24192 0.24300 0.24432 0.24592 0.24638 0.25844 0.26602 0.26705 0.26798 0.27505 0.28233 0.28395 0.28497 0.28647 0.28789 0.29468 0.29779 0.30481 0.30855 0.31313 0.31620 0.32099 0.32338 0.32856 0.33523 0.33852 0.34298 0.34410 0.34540 0.35390 0.35568 0.36034 0.36588 0.37240 0.37424 0.37594 0.37700 0.38189 0.38434 0.39136 0.39727 0.39812 0.39849 0.40185 0.41183 0.41994 0.42470 0.42890 0.43103 0.43266 0.43609 0.44110 0.44259 0.44827 0.45395 0.45801 0.46203 0.46814 0.47644 0.48153 0.49035 0.49108 0.49419 0.50671 0.51007 0.51378 0.51724 0.52009 0.52505 0.52708 0.52919 0.53560 0.54757 0.55812 0.55971 0.56628 0.57162 0.58374 0.58592 0.58761 0.58856 0.59343 0.59428 0.59728 0.60022 0.60386 0.60764 0.61653 0.62115 0.62688 0.62940 0.63241 0.63347 0.64231 0.64683 0.64976 0.65225 0.66017 0.66424 0.66503 0.67107 0.67301 0.67461 0.68181 0.68716 0.69438 0.69792 0.70487 0.71752 0.71856 0.72111 0.72558 0.73148 0.73807 0.74092 0.74532 0.74856 0.75364 0.75731 0.76546 0.76898 0.77611 0.77709 0.78293 0.78588 0.79153 0.79693 0.80034 0.80539 0.80925 0.81551 0.82408 0.82844 0.83286 0.83662 0.84500 0.85084 0.85595 0.86079 0.86256 0.86522 0.86774 0.86946 0.87782 0.88790 0.88950 0.89819 0.89876 0.90417 0.90734 0.90790 0.91635 0.91994 0.92451 0.93359 0.93679 0.93723 0.94872 0.94988 0.95669 0.95813 0.95958 0.96858 0.97671 0.97841 0.98505 0.98889 0.99310 0.99747 1.00172 1.01586 1.02019 1.02483 1.03741 1.04236 1.05096 1.05807 1.06296 1.07840 1.08481 1.08699 1.09256 1.09929 1.10552 1.10733 1.11261 1.11646 1.12289 1.13005 1.13281 1.13731 1.14733 1.15153 1.15477 1.15715 1.16425 1.17004 1.17978 1.19153 1.20197 1.20603 1.21815 1.22133 1.22722 1.23055 1.23962 1.24553 1.25967 1.26097 1.26805 1.27105 1.27525 1.27825 1.28924 1.29763 1.29970 1.31487 1.32166 1.32380 1.32529 1.32967 1.33867 1.34106 1.34415 1.35028 1.35409 1.36251 1.36486 1.36970 1.37103 1.37412 1.38090 1.38622 1.38992 1.40035 1.40516 1.40788 1.41480 1.41728 1.42165 1.43496 1.43612 1.44514 1.45572 1.46445 1.46719 1.47365 1.47843 1.48263 1.48967 1.49871 1.50508 1.50715 1.53113 1.53359 1.55032 1.56038 1.56286 1.56494 1.57297 1.57874 1.58084 1.59098 1.59825 1.60883 1.61292 1.64051 1.64923 1.65689 1.66633 1.67381 1.68573 1.69195 1.69523 1.70070 1.70384 1.72026 1.72420 1.73271 1.73994 1.74508 1.75442 1.76349 1.76851 1.78513 1.80889 1.81932 1.82813 1.82923 1.83225 1.84777 1.85834 1.86892 1.87899 1.88561 1.88971 1.89155 1.90543 1.91558 1.91971 1.93007 1.93959 1.94110 1.94369 1.95429 1.95640 1.96745 1.97317 1.97580 1.99065 1.99741 2.00636 2.01530 2.01858 2.02641 2.03934 2.05521 2.05629 2.07574 2.08110 2.10010 2.10770 2.11316 2.11485 2.12557 2.12969 2.13110 2.14440 2.15307 2.16132 2.18251 2.19852 2.20036 2.21561 2.22596 2.22897 2.25406 2.26656 2.27406 2.27867 2.29030 2.29828 2.30493 2.31303 2.31505 2.31842 2.33140 2.33461 2.34032 2.34679 2.35330 2.35781 2.36521 2.37178 2.37738 2.38466 2.38783 2.39279 2.39793 2.40236 2.40632 2.41707 2.43016 2.45048 2.45542 2.47150 2.49058 2.49375 2.50467 2.50936 2.51960 2.52799 2.53337 2.55110 2.55471 2.56296 2.56752 2.58334 2.59183 2.59964 2.60400 2.61570 2.62429 2.62652 2.63734 2.63860 2.64604 2.65103 2.67287 2.67744 2.68143 2.68198 2.68655 2.68966 2.70173 2.70610 2.71133 2.71376 2.71575 2.72713 2.72925 2.73671 2.74475 2.75395 2.75707 2.76538 2.76769 2.77246 2.78093 2.78890 2.79473 2.79760 2.79997 2.80781 2.81048 2.81447 2.81866 2.82326 2.82598 2.83670 2.84460 2.85122 2.85464 2.86022 2.86637 2.86875 2.87685 2.88023 2.88272 2.88596 2.89055 2.89681 2.90002 2.90995 2.91781 2.92507 2.92812 2.92935 2.93340 2.93627 2.93865 2.94217 2.94740 2.95140 2.95337 2.95515 2.96349 2.97405 2.98286 2.99561 2.99637 3.00101 3.00630 3.00844 3.01467 3.01826 3.02497 3.03180 3.04014 3.04853 3.05340 3.05992 3.06376 3.06862 3.06990 3.08989 3.09435 3.09854 3.10267 3.10502 3.10986 3.11509 3.11865 3.12285 3.12501 3.12906 3.13674 3.15061 3.15326 3.15510 3.15916 3.16432 3.17021 3.17310 3.18361 3.19206 3.19440 3.19468 3.19751 3.20027 3.20746 3.21120 3.21190 3.22163 3.22700 3.23256 3.23874 3.25675 3.25883 3.26450 3.27234 3.27961 3.28673 3.28831 3.29482 3.30418 3.31124 3.32495 3.33023 3.33755 3.34130 3.34832 3.35362 3.35637 3.36295 3.36667 3.37245 3.37760 3.39199 3.39775 3.40415 3.41049 3.42099 3.42581 3.42932 3.43584 3.44378 3.45144 3.45702 3.45826 3.45939 3.46337 3.46939 3.47361 3.48249 3.48609 3.48885 3.49742 3.50334 3.50690 3.50854 3.51348 3.51544 3.52131 3.52735 3.54105 3.54417 3.54875 3.55607 3.57311 3.58353 3.58657 3.59781 3.60230 3.62146 3.62849 3.63569 3.64474 3.65159 3.65626 3.66407 3.66567 3.67064 3.67992 3.68302 3.70246 3.71234 3.72068 3.72978 3.74004 3.75531 3.76402 3.76928 3.77319 3.77781 3.78144 3.78673 3.79319 3.79638 3.80636 3.81195 3.81507 3.81965 3.82013 3.82519 3.83080 3.83306 3.83986 3.84487 3.84792 3.84831 3.85132 3.86031 3.86881 3.87496 3.88383 3.88806 3.90179 3.90337 3.90514 3.92976 3.94312 3.94601 3.95760 3.95825 3.96215 3.96469 3.96742 3.97619 3.97851 3.98493 3.98661 3.99043 3.99369 3.99892 4.00296 4.00658 4.00952 4.02633 4.02917 4.03930 4.04352 4.05066 4.05357 4.06203 4.07161 4.07504 4.07755 4.07859 4.09464 4.10124 4.10413 4.11117 4.11276 4.12021 4.13699 4.14368 4.15075 4.15889 4.16470 4.18309 4.18691 4.19460 4.20270 4.20489 4.22964 4.23235 4.24314 4.27440 4.27758 4.29702 4.29940 4.30011 4.31324 4.31387 4.31984 4.32491 4.33392 4.34348 4.34861 4.35298 4.36465 4.36758 4.36813 4.37623 4.37809 4.39161 4.40869 4.42488 4.42662 4.45352 4.47175 4.47789 4.48372 4.50019 4.50803 4.51375 4.54135 4.55194 4.56792 4.57485 4.58982 4.59502 4.60025 4.60318 4.63264 4.63857 4.64030 4.65270 4.65887 4.66498 4.69145 4.70061 4.71815 4.73130 4.75427 4.75883 4.76111 4.76823 4.79085 4.80360 4.82090 4.82673 4.84379 4.85133 4.86802 4.88118 4.88645 4.91297 4.92899 4.93479 4.94992 4.95125 4.96209 4.98214 4.98751 4.99235 4.99961 5.00087 5.01692 5.02886 5.02950 5.03179 5.04939 5.05218 5.06101 5.08151 5.08516 5.10282 5.11151 5.11540 5.12842 5.12945 5.13665 5.14456 5.15067 5.16426 5.17736 5.18802 5.18841 5.18951 5.19243 5.20181 5.22038 5.23592 5.25711 5.27722 5.28064 5.29282 5.29922 5.31994 5.33538 5.34785 5.36914 5.38490 5.40468 5.41030 5.43786 5.44953 5.45734 5.48567 5.49235 5.50281 5.51719 5.53547 5.54244 5.55069 5.55741 5.57869 5.58472 5.59654 5.60142 5.62843 5.67812 5.70586 5.72080 5.74920 5.77264 5.79022 5.89711 5.91807 5.95479 5.95585 5.99558 6.00075 6.02063 6.07982 6.14833 6.30123 6.32799 6.38402 6.47012 6.51589 6.54837 6.63045 6.71427 6.81325 6.81469 6.83408 6.84615 6.85150 6.85381 6.85424 6.85627 6.86172 6.86289 6.86968 6.87038 6.87060 6.87152 6.87805 6.87983 6.88321 6.88644 6.88904 6.89023 6.89067 6.95709 6.99258 6.99649 6.99699 7.00175 7.02369 7.03172 7.07506 7.07895 7.10347 7.10763 7.15489 7.15641 7.23292 7.23364 7.32028 7.36931 7.37973 7.38083 7.39136 7.39471 7.44511 7.45385 7.53589 7.54351 7.60924 7.61644 7.64197 7.64621 8.35065 8.35428 8.38215 8.38751 8.39191 8.39557 8.53039 8.53489 8.55146 8.56194 8.64508 8.65445 8.74618 8.75100 8.82936 8.83544 8.84814 8.85924 8.95414 8.96213 9.00852 9.01525 9.04396 9.04585 9.06140 9.06460 9.15895 9.16418 9.22003 9.22494 9.99418 9.99535 10.01941 10.03057 10.03317 10.03451 10.03512 10.12212 10.15635 10.59274 10.60130 10.61559 10.63601 10.65188 10.96900 10.98449 22.70464 22.82688 22.87120 22.87786 22.98803 23.05731 23.07505 23.11057 23.17219 23.22730 23.28566 23.37612 23.43867 23.56438 23.58017 23.59961 23.68006 32.77442 32.90512 44.20395 44.23779 57.08984 57.13609 57.20616 57.22104 57.33079 57.37475 2-A. 6.3387 -0.2178 0.0734 6.3429 -126.1538 -134.6138 -162.5605 0.0029 -0.2787 1.5504 14.9556 6.4955 -21.4511 0.0029 -0.2787 1.5504 179.5272 -5.1306 0.2399 89.3920 1.3192 -0.1884 -12.7292 -1.6166 0.3560 1.6219 -7895.4708 -6899.5014 -306.2492 -8.4113 -1.8987 13.3196 6.9201 0.2472 -5.1276 -2689.8470 -1598.5344 -1276.3653 21.2138 -2.1294 0.3320 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|Beta|Orbitals: (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-NODO01 FUNES 2024-10-31T00:00:00.000 0 coments 1 2 Version=ES64L-G16RevC.02 State=2-A HF=-2897.1812231 S2=0.759868 S2-1=0. S2A=0.750076 RMSD=1.914e-09 Dipole=2.4935503,-0.092134,0.033716 Quadrupole=11.11968,4.8452664,-15.9649464,-0.0178274,-0.1590661,0.9989365 PG=C01 [X(C17H13Co1F6N2O2)] 0 1.828032363 -0.0088496313 0.0071300654 0 -0.8747239774 -0.747588018 0.0050331145 0 -2.0180409889 -1.5333778713 0.0436155192 0 -1.867789435 -2.9195893204 0.0339719031 0 -0.5983424355 -3.4786283337 -0.0192000839 0 0.4981087598 -2.6223696794 -0.0531958419 0 0.3561173288 -1.2980747147 -0.0387877625 0 -3.0083255804 -1.0791893156 0.0865240131 0 -0.4437570586 -4.5570246391 -0.0290065691 0 1.522792229 -2.9951776391 -0.0906069888 0 -0.8731254074 0.7317104253 0.0138316728 0 -2.0189832024 1.5185712086 -0.0253724068 0 0.3558347363 1.280401052 0.0556224272 0 -1.8694351742 2.9011931077 -0.019785907 0 -3.0072965572 1.0626005634 -0.0658775055 0 0.4985489543 2.6071724729 0.0684024012 0 -0.5961741149 3.4609733405 0.0330914836 0 1.5236138903 2.9787479859 0.1055984368 0 -0.4419246517 4.5404926936 0.0414647919 0 -3.1083860807 -3.783635272 0.0848820481 0 -3.8139416727 -3.5390194141 1.1924371531 0 -2.8190014298 -5.0826610402 0.0690647706 0 -3.9068355671 -3.5333672232 -0.9562679174 0 -3.0793936398 3.8060810824 -0.1065666373 0 -4.2156983913 3.1473128997 0.1181209047 0 -3.005209435 4.8002218557 0.7798619078 0 -3.1691076674 4.3604371401 -1.3189087922 0 5.0495907814 -0.0107166066 -0.001318478 0 6.139206641 -0.0112106577 -0.0050504185 0 4.3869302858 1.2214653755 0.1096075553 0 3.1222297117 1.3604361487 0.1340482788 0 4.3851026257 -1.2422757098 -0.1071888499 0 3.1201188848 -1.3797232001 -0.1229542065 0 5.174360675 2.4951163129 0.204979928 0 6.2567903816 2.3196786171 0.2147207364 0 4.9184090294 3.1383393702 -0.6514119538 0 4.8814679866 3.03551044 1.1180271455 0 5.1701658305 -2.5170153743 -0.2075084527 0 4.8713164861 -3.0564427932 -1.1192220993 0 6.2527890581 -2.3432291177 -0.2233165157 0 4.9180168281 -3.1603965208 0.6498821294 Gaussian 16 31-Oct-2024 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 117 C1[X(C17H13CoF6N2O2)] UPBE1PBE def2TZVPP SP #p PBE1PBE/Def2TZVPP EmpiricalDispersion=GD3BJ scrf(smd,solvent=acetonitrile) scf=(XQC) geom=allcheck guess=read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 437.1177191999997 AuxInfo=1/0/N:5,17,6,16,3,12,4,14,2,11,20,24,21,22,23,25,26,27,7,13;34,38,28,30,32,31,33;1/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14,15,16,17,18)(19,20);(1,2)(4,5)(6,7);/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,19-1,20-1;3.3,4.3,5.3,6-1,7-1;/rA:41nCoC3C3C3C3C3NHHHC3C3NC3HC3C3HHCFFFCFFFC3HC3OC3OCHHHCHHH/rB:;s2;s3;s4;s5;s1s2s6;s3;s5;s6;s2;s11;s1s11;s12;s12;s13;s14s16;s16;s17;s4;s20;s20;s20;s14;s24;s24;s24;;s28;s28;s1s30;s28;s1s32;s30;s34;s34;s34;s32;s38;s38;s38;/rC:1.828,-.0089,.0071;-.8747,-.7476,.005;-2.018,-1.5334,.0436;-1.8678,-2.9196,.034;-.5983,-3.4786,-.0192;.4981,-2.6224,-.0532;.3561,-1.2981,-.0388;-3.0083,-1.0792,.0865;-.4438,-4.557,-.029;1.5228,-2.9952,-.0906;-.8731,.7317,.0138;-2.019,1.5186,-.0254;.3558,1.2804,.0556;-1.8694,2.9012,-.0198;-3.0073,1.0626,-.0659;.4985,2.6072,.0684;-.5962,3.461,.0331;1.5236,2.9787,.1056;-.4419,4.5405,.0415;-3.1084,-3.7836,.0849;-3.8139,-3.539,1.1924;-2.819,-5.0827,.0691;-3.9068,-3.5334,-.9563;-3.0794,3.8061,-.1066;-4.2157,3.1473,.1181;-3.0052,4.8002,.7799;-3.1691,4.3604,-1.3189;5.0496,-.0107,-.0013;6.1392,-.0112,-.005;4.3869,1.2215,.1096;3.1222,1.3604,.134;4.3851,-1.2423,-.1072;3.1201,-1.3797,-.123;5.1744,2.4951,.205;6.2568,2.3197,.2147;4.9184,3.1383,-.6514;4.8815,3.0355,1.118;5.1702,-2.517,-.2075;4.8713,-3.0564,-1.1192;6.2528,-2.3432,-.2233;4.918,-3.1604,.6499;/R:/0/N:34,38,5,17,6,16,28,3,12,30,32,4,14,2,11,20,24,1,21,22,23,25,26,27,7,13,31,33/E:(1,2)(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)(16,17)(19,20,21,22,23,24)(25,26)(27,28)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,18.4 chk=CoII_acac.chk Mem=57428MB NProc=16 #p PBE1PBE/Def2TZVPP EmpiricalDispersion=GD3BJ scrf(smd,solvent=aceton 1/29=7,38=1,172=1/1 2/12=2,40=1/2 3/5=44,7=202,11=2,14=-4,25=1,30=1,70=32201,72=2,74=-13,116=-2,124=41/1,2,3 4/5=1/1 5/5=2,8=3,13=1,38=6,53=2/2,8 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 coments Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 59 12 12 12 12 12 14 1 1 1 12 12 14 12 1 12 12 1 1 12 19 19 19 12 19 19 19 12 1 12 16 12 16 12 1 1 1 12 1 1 1 58.9331978 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 14.0030740 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 14.0030740 12.0000000 1.0078250 12.0000000 12.0000000 1.0078250 1.0078250 12.0000000 18.9984032 18.9984032 18.9984032 12.0000000 18.9984032 18.9984032 18.9984032 12.0000000 1.0078250 12.0000000 15.9949146 12.0000000 15.9949146 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 7 0 0 0 0 0 2 1 1 1 0 0 2 0 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 0 0 0 0 0 1 1 1 0 1 1 1 25.3800000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 4.5500000 1.0000000 1.0000000 1.0000000 3.6000000 3.6000000 4.5500000 3.6000000 1.0000000 3.6000000 3.6000000 1.0000000 1.0000000 3.6000000 6.7500000 6.7500000 6.7500000 3.6000000 6.7500000 6.7500000 6.7500000 3.6000000 1.0000000 3.6000000 5.6000000 3.6000000 5.6000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/CompChem/Gaussian/g16/l101.exe) Structure from the checkpoint file: "CoII_acac.chk" def2TZVPP (5D, 7F) 0.10000e-02 0.10000e-05 F 1247 A 1083 A 1083 1728 1247 113 112 3205.3582736085 41 41 41 1.00e+00 60 F IExCor= 1009 DFT=T Ex+Corr=PBE1PBE ExCW=0 ScaHFX= 0.250000 ScaDFX= 0.750000 0.750000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 Grimme-D3(BJ) -0.0476815209 PCM SMD-Coulomb. Total charges None On-the-fly selection Acetonitrile 35.688000 1.806874 0.000000 2.801898 0.000000 4.137366 1.387850 0.000000 4.704490 2.388432 1.394364 0.000000 4.234070 2.745097 2.409043 1.388109 0.000000 2.933057 2.324407 2.743408 2.386087 1.391596 0.000000 1.957229 1.349046 2.387213 2.753246 2.380376 1.331963 0.000000 4.954017 2.160754 1.090317 2.165792 3.402426 3.833537 3.373884 0.000000 5.084115 3.833888 3.409704 2.170951 1.089464 2.151880 3.355689 4.322696 0.000000 3.003478 3.287688 3.833063 3.393711 2.176703 1.091037 2.060091 4.922745 2.512066 0.000000 2.800844 1.479325 2.538177 3.784409 4.219425 3.624173 2.373570 2.800665 5.306309 4.431819 0.000000 4.139275 2.538844 3.052729 4.441132 5.195215 4.846021 3.684396 2.782028 6.276481 5.737801 1.390567 0.000000 1.957520 2.372672 3.681410 4.752357 4.854319 3.906879 2.580204 4.109282 5.892542 4.434382 1.346533 2.388105 0.000000 4.705352 3.782019 4.437513 5.821031 6.505213 6.009669 4.752609 4.141475 7.593264 6.802897 2.387555 1.390697 2.753993 0.000000 4.953155 2.798156 2.780237 4.143221 5.140817 5.085964 4.109267 2.147205 6.176834 6.081766 2.161141 1.089180 3.372366 2.162701 0.000000 2.935107 3.625509 4.845410 6.012141 6.184482 5.230956 3.909314 5.088002 7.226559 5.697428 2.324183 2.744415 1.334486 2.387797 3.833365 0.000000 4.232862 4.217863 5.192818 6.506042 6.939799 6.181583 4.853923 5.141440 8.019687 6.796117 2.743346 2.408470 2.379438 1.391885 3.402278 1.388755 0.000000 3.004681 4.432575 5.736414 6.804199 6.798234 5.696437 4.435663 6.083231 7.789514 5.977147 3.286633 3.833962 2.061695 3.396251 4.922416 1.090967 2.175155 0.000000 5.084329 5.305887 6.275034 7.595128 8.020876 7.224903 5.893401 6.178128 9.097790 7.788702 3.833213 3.409339 3.356310 2.174590 4.323007 2.150103 1.090516 2.511275 0.000000 6.214763 3.770040 2.500843 1.512695 2.530648 3.791360 4.265687 2.706297 2.776932 4.701093 5.038828 5.414088 6.135646 6.799477 4.849634 7.338438 7.668001 8.196687 8.740881 0.000000 6.760098 4.223863 2.927055 2.348030 3.436829 4.581007 4.891538 2.814751 3.726447 5.515677 5.317579 5.503104 6.473500 6.835710 4.838278 7.591884 7.790893 8.494234 8.830275 1.335786 0.000000 6.880576 4.751544 3.638626 2.363242 2.740810 4.131731 4.941266 4.007984 2.434686 4.820192 6.131590 6.650204 7.111141 8.040615 6.149626 8.374944 8.828134 9.156744 9.912434 1.330963 2.152836 0.000000 6.799932 4.228282 2.926990 2.348405 3.439072 4.587918 4.900109 2.813845 3.728351 5.524480 5.323099 5.472900 6.508967 6.814071 4.767063 7.626506 7.801289 8.545466 8.842414 1.335720 2.150720 2.152905 0.000000 6.216868 5.060526 5.445994 6.835377 7.696118 7.357061 6.153027 4.889601 8.768930 8.212033 3.786010 2.522650 4.266868 1.513391 2.744729 3.777522 2.510973 4.681578 2.741809 7.592186 7.495163 8.894290 7.434659 0.000000 6.819117 5.132753 5.171471 6.505925 7.550312 7.452420 6.378682 4.395687 8.579394 8.408569 4.125386 2.738421 4.938439 2.363164 2.416633 4.745351 3.634084 5.741801 4.023456 7.018924 6.783996 8.347793 6.773566 1.332535 0.000000 6.861815 5.993123 6.452212 7.838722 8.658572 8.249975 7.011271 5.920152 9.735161 9.056973 4.656755 3.519982 4.920394 2.352813 3.832113 4.194277 2.855644 4.927742 2.680134 8.612563 8.388517 9.910160 8.560128 1.334007 2.152973 0.000000 6.769081 5.754037 6.157799 7.518145 8.351588 7.988122 6.788570 5.620554 9.413422 8.810659 4.496153 3.327495 4.878645 2.346543 3.531571 4.295378 3.042520 5.095088 3.052960 8.264395 8.314089 9.550976 7.936492 1.336089 2.152226 2.150607 0.000000 3.221570 5.969969 7.229933 7.504194 6.627660 5.247801 4.866969 8.128922 7.130677 4.620962 5.969087 7.232153 4.868426 7.506829 8.128322 5.250732 6.627856 4.623942 7.132466 8.988600 9.614374 9.361854 9.671534 8.981058 9.789433 9.414626 9.401597 0.000000 4.311192 7.052487 8.298196 8.518930 7.577450 6.216306 5.924633 9.210120 8.000026 5.497514 7.051602 8.300404 5.926157 8.521775 9.209522 6.219192 7.577788 5.500527 8.001966 9.987855 10.627538 10.294396 10.688001 9.978207 10.826611 10.362737 10.367364 1.089622 0.000000 2.841150 5.618996 6.972602 7.501705 6.852767 5.470330 4.755792 7.744892 7.532974 5.101319 5.283675 6.414220 4.031888 6.479223 7.398015 4.128122 5.463751 3.359559 5.859900 9.012847 9.544058 9.574398 9.619307 7.903984 8.815565 8.240174 8.305872 1.403459 2.145486 0.000000 1.888385 4.520625 5.899553 6.574871 6.105955 4.773239 3.840434 6.598313 6.910802 4.645432 4.046308 5.146114 2.768663 5.226310 6.140014 2.905574 4.271882 2.274932 4.777502 8.079880 8.557764 8.764471 8.633994 6.670773 7.552375 7.056537 7.119833 2.369199 3.317064 1.272548 0.000000 2.841306 5.284230 6.411531 6.475490 5.462942 4.125081 4.029952 7.397763 5.857607 3.356451 5.617849 6.974330 4.756617 7.503014 7.743496 5.473060 6.852251 5.103963 7.534103 7.915035 8.613268 8.165705 8.644436 9.011360 9.658832 9.587249 9.482866 1.403386 2.145422 2.473262 2.902956 0.000000 1.888307 4.046572 5.143155 5.222551 4.271197 2.902408 2.766488 6.139384 4.775488 2.272046 4.519166 5.900848 3.840497 6.575145 6.596471 4.775414 6.104713 4.647293 6.911161 6.679541 7.380651 7.001555 7.396667 8.082499 8.623595 8.747939 8.598495 2.368931 3.316869 2.902599 2.752186 1.272527 0.000000 4.184125 6.866333 8.245329 8.884827 8.310234 6.937049 6.137034 8.930064 9.019462 6.600352 6.302240 7.262981 4.971522 7.059071 8.310534 4.679148 5.853332 3.683983 5.979378 10.394279 10.870853 11.015218 10.961717 8.363023 9.413082 8.517592 8.684188 2.517404 2.693829 1.500443 2.346012 3.832555 4.397935 0.000000 5.007897 7.765989 9.129521 9.669095 8.981533 7.593289 6.926063 9.869707 9.604467 7.124020 7.307373 8.317923 5.993888 8.150380 9.353197 5.767270 6.949724 4.780088 7.059378 11.179169 11.691874 11.712636 11.786800 9.459226 10.505586 9.605057 9.765463 2.633391 2.344178 2.171059 3.279043 4.036627 4.861924 1.096598 0.000000 4.459698 7.006550 8.391802 9.122540 8.638200 7.285787 6.393089 9.009174 9.399938 7.033118 6.306844 7.151432 4.976838 6.821292 8.213912 4.509483 5.566261 3.481834 5.583842 10.624749 11.146338 11.312447 11.067500 8.044102 9.166470 8.221565 8.206522 3.218134 3.439156 2.129795 2.646535 4.446390 4.891422 1.101206 1.792109 0.000000 4.452605 6.977416 8.344599 9.065918 8.588109 7.252393 6.371576 8.957879 9.344533 7.007903 6.296196 7.157143 4.968950 6.847434 8.217458 4.527159 5.600238 3.507623 5.635820 10.554900 10.901382 11.238428 11.166339 8.091275 9.152636 8.088773 8.515037 3.249723 3.482200 2.133597 2.620879 4.477386 4.912909 1.100667 1.794405 1.772809 0.000000 4.184115 6.302122 7.259540 7.053594 5.851141 4.675792 4.968837 8.309123 5.975754 3.680440 6.864735 8.246393 6.137377 8.885280 8.927743 6.939556 8.309327 6.602938 9.020309 8.379990 9.149783 8.395584 9.164364 10.394564 10.967456 11.016062 10.866372 2.517655 2.694269 3.832787 4.398333 1.500450 2.345906 5.029078 4.975202 5.678333 5.715849 0.000000 4.451749 6.293786 7.150886 6.838431 5.595128 4.522143 4.964496 8.212924 5.629416 3.503486 6.973703 8.342871 6.370090 9.063108 8.952575 7.253143 8.584754 7.009338 9.342974 8.102736 9.000575 8.041056 8.792609 10.551469 11.072102 11.285981 10.940677 3.249298 3.481718 4.477181 4.913126 2.133499 2.621189 5.715344 5.709783 6.212599 6.489783 1.100688 0.000000 5.008084 7.307507 8.314670 8.145071 6.947575 5.763957 5.991422 9.352114 7.055663 4.776559 7.764673 9.130986 6.926945 9.670363 9.867809 7.596240 8.981248 7.127182 9.605984 9.476358 10.235885 9.480894 10.255321 11.176640 11.825898 11.736515 11.615145 2.633929 2.344963 4.037241 4.862638 2.171137 3.279030 4.975543 4.683439 5.657864 5.710566 1.096597 1.794377 0.000000 4.460200 6.308195 7.150080 6.817954 5.565893 4.507702 4.975282 8.214359 5.582121 3.478961 7.006453 8.394681 6.394320 9.124737 9.008696 7.289353 8.638823 7.036143 9.402278 8.070365 8.756987 7.993366 8.977575 10.633090 11.112818 11.232357 11.217872 3.218984 3.440583 4.446871 4.891714 2.129869 2.645848 5.678774 5.657995 6.431753 6.213675 1.101198 1.772771 1.792165 0.000000 C17H13CoF6N2O2(1+,2) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 437.1177191999997 AuxInfo=1/0/N:5,17,6,16,3,12,4,14,2,11,20,24,21,22,23,25,26,27,7,13;34,38,28,30,32,31,33;1/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14,15,16,17,18)(19,20);(1,2)(4,5)(6,7);/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,19-1,20-1;3.3,4.3,5.3,6-1,7-1;/rA:41nCoC3C3C3C3C3NHHHC3C3NC3HC3C3HHCFFFCFFFC3HC3OC3OCHHHCHHH/rB:;s2;s3;s4;s5;s1s2s6;s3;s5;s6;s2;s11;s1s11;s12;s12;s13;s14s16;s16;s17;s4;s20;s20;s20;s14;s24;s24;s24;;s28;s28;s1s30;s28;s1s32;s30;s34;s34;s34;s32;s38;s38;s38;/rC:1.8287,-.0042,.0052;-.872,-.7502,.0021;-2.0132,-1.5393,.0368;-1.8592,-2.925,.0166;-.5884,-3.4802,-.0428;.5057,-2.6208,-.0723;.3602,-1.297,-.0478;-3.0046,-1.0881,.0847;-.4309,-4.5581,-.0609;1.5313,-2.9906,-.1142;-.8744,.729,.0219;-2.0224,1.513,-.0096;.3532,1.2807,.0657;-1.8765,2.896,.006;-3.0095,1.0547,-.0518;.4924,2.6077,.0881;-.6047,3.4588,.0609;1.5165,2.9817,.1263;-.4533,4.5386,.0771;-3.0974,-3.7927,.0631;-3.8018,-3.5582,1.1737;-2.8046,-5.0908,.0372;-3.8983,-3.5369,-.9748;-3.089,3.7982,-.072;-4.2232,3.1348,.1496;-3.016,4.786,.8216;-3.1823,4.3613,-1.2801;5.0503,.0026,-.0086;6.1399,.0051,-.0141;4.3845,1.2322,.1126;3.1195,1.3675,.1401;4.3889,-1.2299,-.1225;3.1243,-1.3706,-.1372;5.1687,2.5072,.2161;6.2516,2.3346,.2227;4.9096,3.156,-.6351;4.8759,3.04,1.1336;5.1772,-2.5018,-.2336;4.8783,-3.0352,-1.1488;6.2593,-2.325,-.2499;4.9282,-3.1522,.6194;/R:/0/N:34,38,5,17,6,16,28,3,12,30,32,4,14,2,11,20,24,1,21,22,23,25,26,27,7,13,31,33/E:(1,2)(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)(16,17)(19,20,21,22,23,24)(25,26)(27,28)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,18.4 0.1433855 0.1229557 0.0678794 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 1189 1189 1189 1189 1189 MxSgAt= 41 MxSgA2= 41. 1 open 1 1 1 -2896.24799527692 -2896.26593006957 -0.017934792647 -2896.26268168124 0.003248388328 -2896.26897565102 -0.006293969784 -2896.26945888673 -0.000483235713 -2896.26950168414 -0.000042797406 -2896.26950758187 -0.000005897727 -2896.26950838457 -0.000000802705 -2896.26950852986 -0.000000145293 -2896.26950859458 -0.000000064718 -2896.26950863119 -0.000000036604 -2896.26950865183 -0.000000020643 -2896.26950866598 -0.000000014150 -2896.26950867581 -0.000000009827 -2896.26950868495 -0.000000009147 -2896.26950869842 -0.000000013462 -2896.26950871649 -0.000000018074 -2896.26950873793 -0.000000021441 -2896.26950874445 -0.000000006520 -2896.26950874629 -0.000000001839 -2896.26950874652 -0.000000000230 -2896.26950874659 -0.000000000073 -2896.26950874680 -0.000000000211 -2896.26950874682 -0.000000000015 -2896.26950874668 0.000000000140 -2896.26950874675 -0.000000000070 -2896.26950874684 -0.000000000090 -2896.26950874681 0.000000000030 -2896.26950874681 -0.000000000003 -2896.26950874686 -0.000000000044 -2896.26950875 30 0.7569 2.887725770190e+03 -1.323737897678e+04 4.248074470474e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 7527202816 LenX= 7524061508 LenY= 7522505252 Requested convergence on RMS density matrix=1.00D-08 within 32 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. 0.7569 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 Co C C C C C N H H H C C N C H C C H H C F F F C F F F C H C O C O C H H H C H H H 59 13 13 13 13 13 14 1 1 1 13 13 14 13 1 13 13 1 1 13 19 19 19 13 19 19 19 13 1 13 17 13 17 13 1 1 1 13 1 1 1 0.45219 0.00017 0.00002 -0.00019 -0.00036 -0.00070 -0.01567 -0.00009 -0.00005 -0.00010 0.00015 0.00003 -0.01566 -0.00020 -0.00009 -0.00070 -0.00037 -0.00010 -0.00005 0.00014 -0.00011 0.00000 -0.00011 0.00014 -0.00000 -0.00006 -0.00013 0.00131 0.00007 0.00012 -0.00403 0.00012 -0.00403 -0.00131 -0.00009 -0.00002 -0.00001 -0.00131 -0.00001 -0.00009 -0.00002 478.37781 0.18766 0.02118 -0.21899 -0.40539 -0.79013 -5.06317 -0.42162 -0.23992 -0.43346 0.16381 0.03209 -5.05919 -0.22154 -0.42257 -0.78364 -0.41205 -0.43334 -0.24179 0.15209 -0.47619 0.01829 -0.47329 0.15523 -0.00285 -0.25180 -0.54328 1.47460 0.29364 0.13292 2.44591 0.13540 2.44144 -1.47089 -0.42248 -0.10237 -0.04695 -1.47216 -0.04799 -0.42291 -0.10110 170.69710 0.06696 0.00756 -0.07814 -0.14465 -0.28194 -1.80666 -0.15044 -0.08561 -0.15467 0.05845 0.01145 -1.80524 -0.07905 -0.15078 -0.27962 -0.14703 -0.15463 -0.08628 0.05427 -0.16992 0.00653 -0.16888 0.05539 -0.00102 -0.08985 -0.19386 0.52617 0.10478 0.04743 0.87276 0.04831 0.87117 -0.52485 -0.15075 -0.03653 -0.01675 -0.52531 -0.01712 -0.15091 -0.03607 159.56966 0.06260 0.00706 -0.07305 -0.13522 -0.26356 -1.68889 -0.14064 -0.08003 -0.14459 0.05464 0.01071 -1.68756 -0.07390 -0.14095 -0.26139 -0.13745 -0.14455 -0.08065 0.05073 -0.15884 0.00610 -0.15787 0.05178 -0.00095 -0.08399 -0.18122 0.49187 0.09795 0.04434 0.81587 0.04516 0.81438 -0.49064 -0.14092 -0.03415 -0.01566 -0.49106 -0.01601 -0.14107 -0.03372 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 -1.336793 0.012016 0.001932 0.003163 -0.001342 0.000006 -0.005928 0.002224 -0.000535 -0.005774 0.012211 0.001922 -0.005886 0.003184 0.002232 -0.000045 -0.001349 -0.005735 -0.000527 0.000549 -0.000153 0.000232 -0.000210 0.000565 0.000636 0.000427 0.000350 0.009951 0.003495 0.008470 0.028146 0.008519 0.028168 0.001450 0.001333 0.000787 0.000740 0.001455 0.000745 0.001342 0.000812 -1.520080 -0.003631 -0.002023 0.002229 0.001004 0.008770 0.003219 -0.001163 0.001501 0.010538 -0.003546 -0.002042 0.003146 0.002222 -0.001171 0.008568 0.000956 0.010494 0.001495 0.000099 0.000255 0.000333 0.000267 0.000086 -0.000065 -0.000261 -0.000206 -0.007099 -0.001908 -0.000847 -0.042824 -0.000900 -0.042868 -0.000938 -0.000384 0.000697 0.000598 -0.000945 0.000581 -0.000395 0.000676 2.856874 -0.008385 0.000091 -0.005392 0.000338 -0.008776 0.002708 -0.001061 -0.000966 -0.004765 -0.008665 0.000120 0.002740 -0.005405 -0.001061 -0.008523 0.000393 -0.004759 -0.000968 -0.000648 -0.000102 -0.000565 -0.000057 -0.000651 -0.000571 -0.000166 -0.000144 -0.002852 -0.001587 -0.007622 0.014678 -0.007618 0.014700 -0.000512 -0.000949 -0.001483 -0.001338 -0.000510 -0.001325 -0.000946 -0.001489 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 -0.001037 0.006473 0.001608 0.001988 0.001745 0.006505 0.004277 0.000757 0.001332 0.001849 -0.006392 -0.001572 -0.004327 -0.001977 -0.000740 -0.006534 -0.001779 -0.001920 -0.001342 0.000846 0.000392 0.000696 0.000378 -0.000843 -0.000617 -0.000427 -0.000134 0.000033 0.000011 0.006603 -0.010834 -0.006557 0.011071 0.000735 0.001482 0.002348 0.002261 -0.000723 -0.002257 -0.001474 -0.002348 0.012840 0.000224 0.000131 -0.000268 0.000130 0.000122 0.001755 -0.000048 0.000032 0.000079 -0.000325 -0.000142 -0.001775 0.000307 0.000032 -0.000176 -0.000132 -0.000076 -0.000033 -0.000006 0.000048 -0.000017 0.000008 0.000012 -0.000173 -0.000114 -0.000082 -0.000046 -0.000022 0.000367 -0.002246 -0.000502 0.002189 0.000091 0.000131 -0.000437 0.000805 -0.000101 -0.000825 -0.000150 0.000418 -0.336300 -0.000095 -0.000029 0.000084 0.000031 0.000845 0.001115 -0.000013 0.000044 0.000678 -0.000058 -0.000007 0.001167 0.000028 -0.000009 0.000864 0.000043 0.000687 0.000048 -0.000002 -0.000056 -0.000000 0.000055 -0.000005 -0.000001 0.000149 0.000181 -0.000108 -0.000024 0.000588 -0.008474 0.000622 -0.008581 0.000004 0.000057 -0.000238 0.000574 0.000003 0.000590 0.000068 -0.000216 3.0E-4 0.9971 0.0762 1.0 -0.0 -0.0031 0.0031 -0.0762 0.9971 -1.5458 -1.3368 2.8826 -195.198 -168.814 364.013 -69.652 -60.237 129.889 -65.111 -56.31 121.422 1 Co 59 -0.0303 0.0609 0.9977 -0.3375 0.9389 -0.0676 0.9409 0.3387 0.0079 -0.0084 -0.006 0.0143 -1.127 -0.798 1.925 -0.402 -0.285 0.687 -0.376 -0.266 0.642 2 C 13 -0.3353 0.9417 0.0264 -0.0356 -0.0407 0.9985 0.9414 0.3339 0.0472 -0.0026 1.0E-4 0.0025 -0.348 0.012 0.337 -0.124 0.004 0.12 -0.116 0.004 0.112 3 C 13 0.036 -0.0204 0.9991 -0.6194 0.7841 0.0383 0.7842 0.6203 -0.0156 -0.0054 7.0E-4 0.0047 -0.725 0.089 0.636 -0.259 0.032 0.227 -0.242 0.03 0.212 4 C 13 0.8823 -0.4691 -0.0383 0.008 -0.0665 0.9978 0.4706 0.8806 0.055 -0.0023 3.0E-4 0.0019 -0.305 0.045 0.26 -0.109 0.016 0.093 -0.102 0.015 0.087 5 C 13 0.0297 -0.0589 0.9978 0.8828 -0.4666 -0.0538 0.4688 0.8825 0.0382 -0.0088 -0.0034 0.0123 -1.184 -0.462 1.645 -0.422 -0.165 0.587 -0.395 -0.154 0.549 6 C 13 0.9293 -0.3499 -0.1185 -0.0756 -0.4941 0.8661 0.3616 0.7959 0.4856 -0.0078 0.0019 0.0058 -0.299 0.074 0.225 -0.107 0.026 0.08 -0.1 0.025 0.075 7 N 14 -0.2086 0.978 0.0097 0.016 -0.0065 0.9999 0.9779 0.2087 -0.0143 -0.0013 -0.0011 0.0024 -0.707 -0.567 1.273 -0.252 -0.202 0.454 -0.236 -0.189 0.425 8 H 1 0.896 -0.4421 -0.0409 0.029 -0.0336 0.999 0.4431 0.8963 0.0173 -0.0012 -0.001 0.0022 -0.637 -0.515 1.152 -0.227 -0.184 0.411 -0.212 -0.172 0.384 9 H 1 0.9938 -0.1111 -0.0028 -0.002 -0.0439 0.999 0.1112 0.9928 0.0439 -0.006 -0.0048 0.0108 -3.191 -2.558 5.749 -1.139 -0.913 2.051 -1.064 -0.853 1.918 10 H 1 0.0307 0.0496 0.9983 0.3329 0.9412 -0.0571 0.9425 -0.3341 -0.0124 -0.0087 -0.0058 0.0145 -1.165 -0.779 1.943 -0.416 -0.278 0.693 -0.388 -0.26 0.648 11 C 13 0.3295 0.9439 0.0197 0.0461 -0.037 0.9983 0.943 -0.328 -0.0557 -0.0026 1.0E-4 0.0025 -0.348 0.015 0.332 -0.124 0.005 0.119 -0.116 0.005 0.111 12 C 13 0.9274 0.3552 0.1172 0.0844 -0.5041 0.8595 -0.3644 0.7872 0.4975 -0.0078 0.0019 0.0059 -0.3 0.073 0.227 -0.107 0.026 0.081 -0.1 0.024 0.076 13 N 14 -0.0388 -0.0136 0.9992 0.616 0.787 0.0347 0.7868 -0.6169 0.0221 -0.0054 7.0E-4 0.0047 -0.727 0.091 0.636 -0.259 0.032 0.227 -0.243 0.03 0.212 14 C 13 0.2037 0.979 0.0075 -0.0109 -0.0054 0.9999 0.979 -0.2038 0.0096 -0.0013 -0.0011 0.0024 -0.707 -0.566 1.273 -0.252 -0.202 0.454 -0.236 -0.189 0.425 15 H 1 -0.0254 -0.06 0.9979 0.8806 0.4711 0.0507 -0.4732 0.88 0.0408 -0.0086 -0.0036 0.0121 -1.15 -0.476 1.627 -0.41 -0.17 0.58 -0.384 -0.159 0.543 16 C 13 0.8784 0.4766 0.035 7.0E-4 -0.0745 0.9972 -0.4779 0.876 0.0658 -0.0023 4.0E-4 0.0019 -0.311 0.052 0.259 -0.111 0.019 0.092 -0.104 0.017 0.086 17 C 13 0.9932 0.116 -0.0031 0.0083 -0.0439 0.999 -0.1158 0.9923 0.0445 -0.006 -0.0048 0.0107 -3.18 -2.556 5.735 -1.135 -0.912 2.046 -1.061 -0.853 1.913 18 H 1 0.8946 0.4453 0.0363 -0.0243 -0.0326 0.9992 -0.4461 0.8948 0.0183 -0.0012 -0.001 0.0022 -0.638 -0.517 1.155 -0.228 -0.184 0.412 -0.213 -0.172 0.385 19 H 1 0.0145 -0.0138 0.9998 -0.6091 0.7928 0.0198 0.7929 0.6093 -0.003 -6.0E-4 -6.0E-4 0.0012 -0.087 -0.074 0.161 -0.031 -0.026 0.057 -0.029 -0.025 0.054 20 C 13 0.83 -0.5103 -0.2252 0.2129 -0.0835 0.9735 0.5156 0.8559 -0.0393 -4.0E-4 -1.0E-4 5.0E-4 -0.204 -0.044 0.248 -0.073 -0.016 0.088 -0.068 -0.015 0.083 21 F 19 0.0633 -0.0485 0.9968 0.7294 -0.6794 -0.0794 0.6811 0.7321 -0.0077 -6.0E-4 -4.0E-4 0.001 -0.284 -0.208 0.492 -0.101 -0.074 0.176 -0.095 -0.069 0.164 22 F 19 0.8728 -0.4851 0.0539 -0.0939 -0.0587 0.9938 0.4789 0.8725 0.0968 -4.0E-4 -1.0E-4 5.0E-4 -0.211 -0.031 0.241 -0.075 -0.011 0.086 -0.07 -0.01 0.08 23 F 19 -0.0235 -0.0198 0.9995 0.6024 0.7976 0.03 0.7978 -0.6028 0.0068 -7.0E-4 -6.0E-4 0.0012 -0.087 -0.074 0.161 -0.031 -0.026 0.058 -0.029 -0.025 0.054 24 C 13 0.2755 0.3057 0.9114 0.423 0.8128 -0.4005 0.8632 -0.4959 -0.0946 -6.0E-4 -4.0E-4 0.001 -0.313 -0.194 0.507 -0.112 -0.069 0.181 -0.104 -0.065 0.169 25 F 19 0.3778 0.8842 -0.2747 0.2955 0.166 0.9408 0.8775 -0.4366 -0.1986 -5.0E-4 -2.0E-4 7.0E-4 -0.246 -0.088 0.334 -0.088 -0.032 0.119 -0.082 -0.029 0.111 26 F 19 0.0756 0.7817 -0.6191 0.3459 0.5618 0.7515 0.9352 -0.2709 -0.2279 -4.0E-4 -0.0 4.0E-4 -0.182 -0.023 0.205 -0.065 -0.008 0.073 -0.061 -0.008 0.068 27 F 19 -0.0019 0.9997 0.0253 0.0036 -0.0253 0.9997 1.0 0.002 -0.0036 -0.0071 -0.0028 0.01 -0.953 -0.382 1.335 -0.34 -0.136 0.476 -0.318 -0.128 0.445 28 C 13 -0.0018 0.9973 0.0732 0.0045 -0.0732 0.9973 1.0 0.0021 -0.0043 -0.0019 -0.0016 0.0035 -1.019 -0.846 1.865 -0.364 -0.302 0.665 -0.34 -0.282 0.622 29 H 1 0.0205 -0.1054 0.9942 -0.4611 0.8814 0.1029 0.8871 0.4605 0.0305 -0.0077 -0.0042 0.0119 -1.03 -0.568 1.598 -0.368 -0.203 0.57 -0.344 -0.189 0.533 30 C 13 0.1479 0.9786 0.1428 0.0472 -0.1513 0.9874 0.9879 -0.1393 -0.0685 -0.0457 0.0159 0.0298 3.307 -1.148 -2.158 1.18 -0.41 -0.77 1.103 -0.383 -0.72 31 O 17 -0.0101 -0.1012 0.9948 0.4582 0.8838 0.0945 0.8888 -0.4568 -0.0374 -0.0077 -0.0042 0.0119 -1.03 -0.568 1.598 -0.368 -0.203 0.57 -0.344 -0.189 0.533 32 C 13 -0.1506 0.978 0.1441 -0.0395 -0.1516 0.9877 0.9878 0.143 0.0615 -0.0458 0.0159 0.0299 3.317 -1.153 -2.164 1.183 -0.411 -0.772 1.106 -0.384 -0.722 33 O 17 -0.2732 0.9614 0.0328 -0.0301 -0.0426 0.9986 0.9615 0.2718 0.0406 -0.0011 -5.0E-4 0.0017 -0.154 -0.069 0.223 -0.055 -0.025 0.08 -0.051 -0.023 0.074 34 C 13 -0.5007 0.8638 0.0565 -0.0108 -0.0714 0.9974 0.8656 0.4988 0.0451 -0.0012 -0.001 0.0022 -0.661 -0.509 1.17 -0.236 -0.182 0.418 -0.22 -0.17 0.39 35 H 1 0.5998 -0.5256 0.6034 -0.3649 0.4914 0.7908 0.7121 0.6945 -0.1029 -0.0017 -0.0014 0.0031 -0.913 -0.763 1.675 -0.326 -0.272 0.598 -0.304 -0.254 0.559 36 H 1 -0.6232 0.4499 0.6397 0.3359 -0.5847 0.7385 0.7062 0.6751 0.2133 -0.0017 -0.0014 0.0031 -0.916 -0.761 1.677 -0.327 -0.272 0.599 -0.306 -0.254 0.56 37 H 1 0.269 0.9624 0.0378 0.0335 -0.0486 0.9983 0.9626 -0.2672 -0.0453 -0.0011 -5.0E-4 0.0017 -0.154 -0.069 0.223 -0.055 -0.025 0.08 -0.051 -0.023 0.074 38 C 13 0.6266 0.4521 0.6348 -0.3278 -0.5862 0.7409 0.7071 -0.6724 -0.2191 -0.0017 -0.0014 0.0031 -0.917 -0.761 1.679 -0.327 -0.272 0.599 -0.306 -0.254 0.56 39 H 1 0.4977 0.8657 0.0528 0.0191 -0.0717 0.9972 0.8671 -0.4953 -0.0522 -0.0012 -0.001 0.0022 -0.661 -0.509 1.17 -0.236 -0.182 0.417 -0.22 -0.17 0.39 40 H 1 PT27492.500S 2024-10-31T14:48:28.000 -277.84720 -32.98100 -28.58886 -28.58752 -28.58440 -24.82029 -24.81999 -24.81831 -24.81778 -24.81774 -24.81743 -19.22174 -19.22173 -14.45693 -14.45686 -10.49051 -10.49044 -10.31578 -10.31534 -10.31475 -10.31474 -10.29623 -10.29562 -10.29340 -10.29337 -10.27540 -10.27506 -10.26990 -10.26979 -10.21954 -10.21951 -10.21146 -3.81442 -2.48597 -2.48071 -2.47749 -1.37079 -1.37076 -1.27958 -1.27933 -1.27687 -1.27671 -1.08640 -1.07049 -1.04416 -1.01608 -0.89171 -0.88535 -0.86185 -0.81154 -0.80603 -0.77148 -0.77040 -0.76303 -0.72500 -0.72273 -0.69970 -0.68188 -0.67746 -0.63572 -0.63472 -0.63304 -0.63303 -0.63061 -0.60772 -0.58919 -0.57769 -0.56229 -0.53998 -0.53324 -0.52971 -0.52357 -0.52021 -0.50808 -0.50729 -0.50558 -0.50364 -0.50121 -0.49019 -0.48716 -0.48126 -0.47172 -0.47072 -0.46787 -0.46206 -0.46005 -0.45276 -0.44646 -0.44591 -0.44574 -0.44323 -0.43940 -0.42842 -0.42181 -0.41836 -0.41368 -0.40975 -0.39534 -0.39153 -0.38703 -0.38154 -0.37048 -0.35765 -0.34651 -0.34358 -0.34036 -0.31912 -0.30249 -0.29717 -0.29650 -0.29061 -0.28365 -0.25005 -0.10225 -0.06821 -0.06256 -0.05204 -0.04933 -0.00976 0.02256 0.05987 0.06513 0.06630 0.07182 0.07568 0.08960 0.09030 0.09641 0.10169 0.10567 0.10869 0.11748 0.12209 0.12756 0.12893 0.13416 0.13847 0.13975 0.14217 0.14490 0.14860 0.15269 0.15324 0.16075 0.16353 0.16481 0.16724 0.17835 0.18897 0.19723 0.19874 0.20181 0.20556 0.20880 0.21089 0.21178 0.21919 0.22225 0.23001 0.23231 0.23579 0.23596 0.24233 0.24568 0.24735 0.24853 0.24962 0.25008 0.25377 0.26941 0.27645 0.27920 0.28103 0.28475 0.29074 0.29278 0.29459 0.29675 0.29780 0.30595 0.31057 0.31539 0.32109 0.32865 0.32900 0.33417 0.33672 0.34508 0.34846 0.35379 0.35490 0.36343 0.36676 0.37058 0.37559 0.38463 0.38674 0.39249 0.39524 0.39990 0.40657 0.40864 0.41174 0.41356 0.42195 0.42242 0.42565 0.43440 0.43509 0.44975 0.45517 0.45607 0.45679 0.46267 0.46989 0.47091 0.47209 0.47290 0.48108 0.48260 0.48747 0.48960 0.49312 0.49983 0.50713 0.51468 0.51731 0.52872 0.52982 0.53709 0.53903 0.54144 0.54501 0.54854 0.55435 0.56290 0.57369 0.57916 0.58349 0.58953 0.59808 0.60125 0.60556 0.60906 0.61008 0.62116 0.62287 0.62432 0.62862 0.62933 0.63406 0.64317 0.64885 0.65322 0.65671 0.65889 0.66205 0.66866 0.67475 0.67753 0.67944 0.68356 0.68665 0.69292 0.69672 0.69852 0.70178 0.70264 0.71000 0.71181 0.71592 0.71947 0.73895 0.74502 0.74839 0.75354 0.75746 0.75991 0.76500 0.76978 0.77323 0.78084 0.78798 0.79485 0.79534 0.79966 0.80093 0.80816 0.80989 0.81401 0.81854 0.82753 0.83309 0.83753 0.84530 0.85543 0.85721 0.86257 0.86910 0.88036 0.88424 0.88685 0.89029 0.89224 0.89702 0.89905 0.90435 0.90718 0.91884 0.92068 0.92511 0.92727 0.93393 0.93700 0.93915 0.94853 0.94978 0.95814 0.96454 0.96953 0.97302 0.98267 0.98669 0.99226 0.99519 0.99600 0.99828 1.00755 1.01068 1.01995 1.02399 1.02602 1.02707 1.04088 1.04835 1.05058 1.05967 1.06981 1.07742 1.08094 1.08668 1.09669 1.10432 1.11414 1.12394 1.12804 1.13163 1.13549 1.14445 1.14480 1.15066 1.15314 1.15788 1.16970 1.17386 1.18398 1.19062 1.19297 1.19540 1.19761 1.20412 1.21682 1.22875 1.23908 1.24359 1.25485 1.26151 1.26772 1.26854 1.28392 1.28937 1.29517 1.30130 1.30465 1.31284 1.31529 1.31733 1.32442 1.33812 1.34019 1.34505 1.35168 1.36226 1.36568 1.36904 1.37437 1.37776 1.38091 1.39188 1.39390 1.40190 1.41489 1.41949 1.42357 1.42457 1.42873 1.43214 1.43924 1.44479 1.44866 1.45532 1.46252 1.46612 1.47238 1.47583 1.48862 1.49101 1.49275 1.50146 1.50565 1.51043 1.51352 1.51800 1.52577 1.54388 1.55424 1.55639 1.56159 1.56797 1.58780 1.59407 1.60231 1.60444 1.61400 1.61793 1.62097 1.62560 1.62969 1.64918 1.65109 1.67529 1.68366 1.68558 1.69627 1.70204 1.70835 1.71608 1.72390 1.73306 1.73414 1.74832 1.75065 1.76249 1.77543 1.78404 1.78589 1.79236 1.79992 1.82094 1.83935 1.84183 1.85272 1.85761 1.86507 1.87010 1.87385 1.87823 1.88660 1.89218 1.91066 1.92519 1.93191 1.93808 1.94316 1.94770 1.95348 1.95733 1.96352 1.97325 1.97978 1.98417 1.99169 2.00293 2.01426 2.02481 2.03050 2.03414 2.04737 2.06029 2.07510 2.08040 2.09132 2.10243 2.11059 2.11769 2.11887 2.12888 2.13866 2.14346 2.15211 2.15860 2.17816 2.18185 2.19854 2.20563 2.20877 2.23022 2.23517 2.25352 2.25781 2.27752 2.27846 2.28178 2.30963 2.32260 2.32603 2.33255 2.33782 2.34354 2.34834 2.35425 2.36049 2.36806 2.37063 2.37599 2.38108 2.38718 2.38947 2.39667 2.41049 2.42299 2.43080 2.45184 2.45842 2.46703 2.47079 2.47441 2.48523 2.48783 2.50583 2.51130 2.52268 2.53826 2.55042 2.55582 2.55756 2.56734 2.57671 2.58790 2.60409 2.61164 2.61669 2.61851 2.62014 2.63410 2.63878 2.65934 2.66186 2.66862 2.66923 2.67609 2.69001 2.69956 2.70957 2.71907 2.72332 2.73160 2.73606 2.74185 2.74490 2.75872 2.77429 2.78085 2.78830 2.79426 2.79857 2.80130 2.80367 2.80996 2.81347 2.82414 2.82475 2.82792 2.83202 2.83356 2.83964 2.84757 2.84930 2.85474 2.86230 2.86819 2.87192 2.87773 2.88082 2.88662 2.89030 2.89118 2.90540 2.91546 2.92341 2.92766 2.92996 2.93426 2.93585 2.94284 2.94416 2.95139 2.95813 2.96631 2.96989 2.97276 2.97956 2.98695 2.99303 2.99483 2.99726 2.99871 2.99986 3.00098 3.01385 3.01669 3.02029 3.02696 3.03358 3.04625 3.04761 3.05606 3.06261 3.07017 3.07331 3.07708 3.08453 3.08662 3.09384 3.10167 3.10538 3.10989 3.11357 3.12453 3.13278 3.13631 3.14410 3.14873 3.15023 3.15319 3.15587 3.16312 3.16789 3.17507 3.17747 3.18066 3.18166 3.19016 3.20394 3.20696 3.20862 3.21419 3.22536 3.22731 3.23175 3.23436 3.23773 3.24343 3.25141 3.25472 3.26024 3.26402 3.26622 3.27081 3.27839 3.28345 3.29129 3.29545 3.30585 3.30972 3.31488 3.31930 3.33019 3.34098 3.34657 3.35915 3.36540 3.37358 3.37979 3.38958 3.39780 3.40304 3.40493 3.41426 3.41847 3.42760 3.43544 3.43800 3.44533 3.45529 3.46483 3.47119 3.47292 3.47917 3.48549 3.49255 3.49573 3.49923 3.50252 3.51339 3.51866 3.52157 3.52702 3.53039 3.53626 3.53804 3.54143 3.54823 3.55502 3.55844 3.56968 3.57107 3.57742 3.58419 3.58629 3.59670 3.60157 3.62024 3.63014 3.64289 3.64574 3.65032 3.65836 3.66675 3.67768 3.68330 3.68746 3.69418 3.70886 3.70999 3.71774 3.72390 3.72913 3.73212 3.73839 3.74968 3.75726 3.75900 3.77051 3.78974 3.80166 3.81250 3.81485 3.81936 3.82280 3.82873 3.83073 3.84725 3.85741 3.86153 3.86558 3.86823 3.87162 3.87634 3.87928 3.88126 3.88962 3.89873 3.90373 3.91102 3.91257 3.92428 3.92748 3.93116 3.93243 3.93535 3.94056 3.95801 3.96394 3.96535 3.96587 3.97682 3.98389 3.99113 3.99497 4.00286 4.00599 4.01254 4.01419 4.02068 4.02471 4.03025 4.03819 4.04139 4.04672 4.05286 4.06039 4.06802 4.07877 4.08300 4.08989 4.09351 4.09710 4.10522 4.10672 4.11949 4.12481 4.13185 4.14144 4.14942 4.15125 4.15423 4.16305 4.16691 4.16820 4.19498 4.20467 4.22040 4.22064 4.22833 4.23039 4.24626 4.24741 4.25611 4.28964 4.29233 4.29851 4.30930 4.33519 4.35715 4.36535 4.37005 4.37304 4.37653 4.38038 4.38785 4.39476 4.40134 4.40586 4.41873 4.42394 4.43332 4.43588 4.44573 4.45288 4.46332 4.46817 4.47245 4.48481 4.50479 4.53005 4.53116 4.54874 4.56022 4.57568 4.58255 4.62132 4.62278 4.63389 4.64542 4.66081 4.68344 4.69190 4.70642 4.71425 4.71585 4.71905 4.75549 4.76155 4.76966 4.78028 4.78759 4.81499 4.81936 4.83645 4.85279 4.86336 4.87384 4.87487 4.88682 4.89024 4.89472 4.90766 4.90854 4.93415 4.96018 4.98074 4.99441 5.01585 5.02788 5.03894 5.04713 5.06293 5.07760 5.08569 5.09280 5.09679 5.10061 5.11107 5.11598 5.11685 5.11833 5.14639 5.15382 5.15824 5.17741 5.18964 5.19159 5.19461 5.20678 5.21246 5.22686 5.23948 5.24849 5.26088 5.26428 5.26689 5.28698 5.30519 5.31609 5.31782 5.32383 5.33601 5.34251 5.35625 5.36244 5.37217 5.38261 5.39401 5.39994 5.40861 5.43050 5.44172 5.49020 5.50378 5.50424 5.52107 5.52602 5.54099 5.54775 5.55058 5.56762 5.59213 5.60452 5.61621 5.61778 5.63983 5.64467 5.64763 5.67344 5.68791 5.71291 5.77627 5.78721 5.79472 5.82326 5.83420 5.85411 5.99931 6.00089 6.01674 6.01897 6.03811 6.04983 6.07567 6.17699 6.24499 6.35568 6.38383 6.42055 6.48666 6.49761 6.55785 6.70689 6.73019 6.79432 6.79590 6.81252 6.83448 6.83694 6.83739 6.83953 6.84512 6.84624 6.85244 6.85269 6.85356 6.85432 6.85483 6.85571 6.86251 6.86428 6.87073 6.87345 6.87494 6.87885 6.91592 6.97573 6.97982 6.98111 6.98608 7.00880 7.01718 7.05802 7.06212 7.08830 7.09329 7.14098 7.14259 7.23019 7.23178 7.29091 7.33920 7.36543 7.36676 7.37974 7.38309 7.43598 7.44606 7.51651 7.52467 7.60014 7.60776 7.63403 7.63829 8.28736 8.29115 8.31890 8.32435 8.32916 8.33253 8.46760 8.47215 8.48884 8.49947 8.58174 8.59095 8.69699 8.70169 8.77607 8.78204 8.79539 8.80657 8.89882 8.90722 8.95473 8.96106 8.99573 8.99760 9.01331 9.01656 9.10276 9.10804 9.16365 9.16848 9.97740 9.98617 9.98740 10.00878 10.00947 10.01061 10.01877 10.09866 10.11486 10.54249 10.56048 10.61365 10.62035 10.63581 10.93104 10.94636 22.80710 22.92794 22.97286 22.97963 23.08961 23.15694 23.17795 23.21039 23.27241 23.32806 23.38792 23.47525 23.54047 23.66798 23.68247 23.70045 23.77887 32.88045 33.01056 44.32376 44.35770 57.22245 57.26864 57.33857 57.35343 57.46327 57.50715 -277.84676 -32.95795 -28.57558 -28.57501 -28.55264 -24.82029 -24.81999 -24.81831 -24.81778 -24.81775 -24.81744 -19.22227 -19.22226 -14.45729 -14.45723 -10.49050 -10.49044 -10.31584 -10.31539 -10.31478 -10.31478 -10.29630 -10.29568 -10.29345 -10.29343 -10.27539 -10.27504 -10.26989 -10.26979 -10.21958 -10.21956 -10.21147 -3.76001 -2.43853 -2.43777 -2.39174 -1.37080 -1.37076 -1.27959 -1.27933 -1.27688 -1.27672 -1.08727 -1.07148 -1.04452 -1.01647 -0.89183 -0.88550 -0.86202 -0.81174 -0.80615 -0.77154 -0.77065 -0.76309 -0.72513 -0.72279 -0.69979 -0.68198 -0.67760 -0.63575 -0.63473 -0.63305 -0.63304 -0.63063 -0.60782 -0.58927 -0.57593 -0.56235 -0.54047 -0.53356 -0.52922 -0.52346 -0.52027 -0.50809 -0.50727 -0.50555 -0.50360 -0.50128 -0.49016 -0.48718 -0.48131 -0.47174 -0.47069 -0.46786 -0.46207 -0.46006 -0.45255 -0.44662 -0.44592 -0.44577 -0.44364 -0.43746 -0.42804 -0.42132 -0.41808 -0.41370 -0.40949 -0.39515 -0.39083 -0.38040 -0.38017 -0.36826 -0.35679 -0.34598 -0.34027 -0.33881 -0.30230 -0.28730 -0.28313 -0.27732 -0.26886 -0.24593 -0.10171 -0.06818 -0.06283 -0.05005 -0.04835 -0.01736 -0.00994 0.03601 0.06480 0.06573 0.06783 0.07440 0.07564 0.08966 0.09050 0.09649 0.10524 0.10801 0.11166 0.11790 0.12224 0.12747 0.12896 0.13419 0.13863 0.14013 0.14214 0.14744 0.14873 0.15290 0.15476 0.16094 0.16352 0.16487 0.16744 0.17844 0.19062 0.19784 0.19888 0.20250 0.20678 0.20882 0.21179 0.21613 0.21982 0.22314 0.23198 0.23395 0.23590 0.23619 0.24245 0.24630 0.24848 0.24892 0.24997 0.25048 0.25437 0.26970 0.27780 0.28089 0.28110 0.28554 0.29119 0.29282 0.29476 0.29702 0.29828 0.30618 0.31069 0.31580 0.32192 0.32899 0.32986 0.33530 0.33792 0.34544 0.34862 0.35382 0.35510 0.36351 0.36681 0.37132 0.37702 0.38473 0.38750 0.39261 0.39527 0.40039 0.40760 0.40876 0.41207 0.41379 0.42237 0.42295 0.42575 0.43442 0.43633 0.44992 0.45584 0.45671 0.45913 0.46284 0.47006 0.47125 0.47227 0.47340 0.48237 0.48355 0.48833 0.48988 0.49327 0.50059 0.50750 0.51508 0.51855 0.52901 0.53424 0.53789 0.54032 0.54469 0.54667 0.54931 0.55433 0.56337 0.57439 0.57947 0.58383 0.58994 0.59884 0.60147 0.60599 0.60935 0.61035 0.62143 0.62326 0.62459 0.62917 0.63083 0.63494 0.64357 0.64910 0.65331 0.65707 0.65923 0.66271 0.66902 0.67502 0.67807 0.67957 0.68388 0.68816 0.69349 0.69704 0.69879 0.70222 0.70317 0.71064 0.71199 0.71612 0.71982 0.73928 0.74508 0.74878 0.75371 0.75789 0.76034 0.76510 0.77018 0.77349 0.78121 0.78818 0.79514 0.79551 0.79998 0.80123 0.80844 0.81037 0.81429 0.81890 0.82813 0.83363 0.83804 0.84566 0.85583 0.85761 0.86268 0.86950 0.88086 0.88445 0.88907 0.89083 0.89383 0.89776 0.89956 0.90448 0.90758 0.91946 0.92112 0.92673 0.92817 0.93453 0.93739 0.93921 0.94912 0.95084 0.95877 0.96559 0.96964 0.97332 0.98288 0.98677 0.99296 0.99552 0.99612 0.99864 1.00768 1.01086 1.02119 1.02462 1.02618 1.02867 1.04121 1.04854 1.05071 1.05981 1.07305 1.07752 1.08156 1.08851 1.09723 1.10440 1.11539 1.12483 1.12859 1.13268 1.13717 1.14483 1.14503 1.15195 1.15375 1.15853 1.17071 1.18334 1.18569 1.19121 1.19339 1.19792 1.20346 1.20492 1.21813 1.22919 1.23986 1.24635 1.25515 1.26318 1.26781 1.26943 1.28410 1.29021 1.29593 1.30157 1.30545 1.31334 1.31544 1.31978 1.32589 1.33882 1.34098 1.34515 1.35216 1.36287 1.36602 1.36929 1.37542 1.37844 1.38161 1.39231 1.39694 1.40501 1.41595 1.41981 1.42395 1.42484 1.42894 1.43214 1.43942 1.44488 1.44894 1.45537 1.46279 1.46629 1.47242 1.47732 1.48936 1.49125 1.49301 1.50157 1.50578 1.51084 1.51366 1.51838 1.52597 1.54432 1.55433 1.55708 1.56172 1.56894 1.58804 1.59402 1.60253 1.60456 1.61407 1.61834 1.62159 1.62600 1.62980 1.64930 1.65111 1.67569 1.68403 1.68596 1.69690 1.70249 1.70846 1.71626 1.72464 1.73353 1.73462 1.74856 1.75089 1.76290 1.77628 1.78454 1.78623 1.79286 1.80032 1.82160 1.83954 1.84362 1.85287 1.85771 1.86582 1.87027 1.87395 1.87832 1.88675 1.89232 1.91087 1.92546 1.93264 1.93823 1.94322 1.94780 1.95390 1.95766 1.96413 1.97438 1.98178 1.98481 1.99175 2.00366 2.01442 2.02549 2.03065 2.03452 2.04778 2.06045 2.07516 2.08056 2.09182 2.10254 2.11076 2.11769 2.11887 2.12919 2.13878 2.14395 2.15328 2.15868 2.17808 2.18210 2.19898 2.20623 2.20880 2.23449 2.23556 2.25571 2.25909 2.27762 2.28041 2.28389 2.31041 2.32322 2.32730 2.33424 2.33839 2.34359 2.34843 2.35454 2.36052 2.36848 2.37090 2.37650 2.38137 2.38724 2.38993 2.39688 2.41080 2.42407 2.43176 2.45209 2.45857 2.46764 2.47094 2.47474 2.48566 2.48790 2.50595 2.51171 2.52287 2.53890 2.55064 2.55640 2.55874 2.56860 2.57840 2.58962 2.60617 2.61262 2.61766 2.62018 2.62345 2.63555 2.64201 2.66219 2.66751 2.66964 2.67575 2.68282 2.69143 2.70198 2.71010 2.72218 2.72380 2.73184 2.73663 2.74290 2.74506 2.75905 2.77565 2.78192 2.78866 2.79472 2.80118 2.80365 2.80480 2.80995 2.82079 2.82560 2.82598 2.82859 2.83311 2.83843 2.84325 2.84918 2.85458 2.86359 2.86504 2.87097 2.87533 2.88029 2.88195 2.88762 2.89210 2.89875 2.90860 2.91693 2.92404 2.92816 2.93232 2.93617 2.93820 2.94295 2.94483 2.95165 2.95859 2.96753 2.97024 2.97317 2.98011 2.98754 2.99338 2.99529 2.99778 2.99927 3.00070 3.00181 3.01429 3.01776 3.02099 3.02796 3.03378 3.04759 3.04867 3.05655 3.06334 3.07068 3.07453 3.07759 3.08510 3.08754 3.09464 3.10326 3.10563 3.11163 3.11454 3.12509 3.13295 3.13658 3.14501 3.15044 3.15077 3.15421 3.15652 3.16341 3.16829 3.17524 3.17764 3.18108 3.18184 3.19123 3.20473 3.20751 3.20924 3.21561 3.22565 3.22859 3.23235 3.23521 3.23843 3.24392 3.25168 3.25490 3.26037 3.26427 3.26644 3.27181 3.27881 3.28440 3.29149 3.29673 3.30641 3.31030 3.31542 3.32055 3.33017 3.34129 3.34669 3.35997 3.36631 3.37421 3.38058 3.39023 3.39916 3.40379 3.40613 3.41465 3.41884 3.42822 3.43585 3.43833 3.44687 3.45673 3.46504 3.47225 3.47337 3.47996 3.48731 3.49314 3.49577 3.49950 3.50348 3.51372 3.51867 3.52280 3.52719 3.53054 3.53701 3.53854 3.54156 3.54834 3.55526 3.55846 3.56961 3.57129 3.57744 3.58438 3.58646 3.59832 3.60285 3.62117 3.63101 3.64437 3.64628 3.65195 3.65861 3.66739 3.67848 3.68344 3.68762 3.69413 3.70984 3.71043 3.71885 3.72770 3.73095 3.73288 3.73874 3.74996 3.75945 3.76041 3.78650 3.80055 3.81277 3.81521 3.82012 3.82259 3.82713 3.82886 3.83281 3.84803 3.85911 3.86221 3.86616 3.86971 3.87230 3.87643 3.88019 3.88248 3.89190 3.90065 3.90537 3.91185 3.91311 3.92477 3.92762 3.93143 3.93285 3.93768 3.94607 3.95835 3.96560 3.96736 3.96948 3.98104 3.98519 3.99344 3.99932 4.00336 4.00640 4.01356 4.01510 4.02222 4.02618 4.03139 4.03844 4.04225 4.04772 4.05294 4.06168 4.06825 4.07893 4.08376 4.08998 4.09392 4.09710 4.10546 4.10680 4.11976 4.12544 4.13192 4.14160 4.14966 4.15156 4.15460 4.16334 4.16717 4.16840 4.19529 4.20487 4.22059 4.22302 4.23039 4.23231 4.24659 4.25476 4.25626 4.28978 4.29294 4.29857 4.31411 4.33562 4.35797 4.36541 4.37024 4.37311 4.37650 4.38090 4.38879 4.39514 4.40223 4.40657 4.41881 4.42455 4.43346 4.43608 4.44593 4.45324 4.46365 4.47017 4.47840 4.48582 4.50832 4.53117 4.53896 4.54926 4.56051 4.57622 4.58294 4.62161 4.62293 4.63520 4.64538 4.66260 4.68356 4.69255 4.70653 4.71429 4.71616 4.71899 4.75649 4.76177 4.76973 4.78030 4.78811 4.81575 4.82157 4.83789 4.85330 4.86339 4.87399 4.87504 4.88660 4.89161 4.89437 4.90790 4.90897 4.93413 4.96027 4.98239 4.99441 5.01666 5.02788 5.03881 5.04781 5.06352 5.07776 5.08610 5.09290 5.09677 5.10064 5.11098 5.11597 5.11684 5.11829 5.14608 5.15351 5.15816 5.17701 5.18943 5.19159 5.19407 5.20688 5.21185 5.22709 5.23943 5.24851 5.26104 5.26420 5.26723 5.28723 5.30509 5.31610 5.31812 5.32393 5.33597 5.34222 5.35631 5.36239 5.37240 5.38267 5.39397 5.39987 5.40846 5.43077 5.44168 5.49035 5.50372 5.50418 5.52130 5.52613 5.54134 5.54776 5.55063 5.56758 5.59164 5.60437 5.61589 5.61768 5.63971 5.64460 5.64747 5.67348 5.68785 5.71288 5.77617 5.78713 5.79445 5.82302 5.83404 5.85414 5.99891 6.00054 6.01692 6.01871 6.03789 6.04944 6.07550 6.17724 6.24495 6.35549 6.38337 6.41914 6.48640 6.49660 6.55726 6.70606 6.72989 6.79432 6.79589 6.81221 6.83448 6.83694 6.83739 6.83952 6.84512 6.84624 6.85243 6.85268 6.85354 6.85364 6.85445 6.85551 6.86251 6.86427 6.87072 6.87345 6.87493 6.87883 6.91526 6.97573 6.97981 6.98110 6.98607 7.00880 7.01717 7.05801 7.06211 7.08829 7.09329 7.14097 7.14258 7.22949 7.23128 7.29057 7.33875 7.36542 7.36675 7.37974 7.38308 7.43598 7.44605 7.51650 7.52467 7.60013 7.60776 7.63403 7.63829 8.28736 8.29115 8.31889 8.32435 8.32915 8.33253 8.46760 8.47215 8.48883 8.49946 8.58173 8.59094 8.69699 8.70168 8.77607 8.78203 8.79539 8.80656 8.89882 8.90721 8.95472 8.96105 8.99572 8.99759 9.01331 9.01655 9.10275 9.10804 9.16364 9.16847 10.01292 10.01419 10.03798 10.04353 10.04905 10.04936 10.04983 10.13048 10.16043 10.55077 10.63174 10.66531 10.66913 10.68969 10.98411 10.99949 22.80708 22.92793 22.97286 22.97963 23.08959 23.15689 23.17791 23.21035 23.27241 23.32805 23.38787 23.47522 23.54042 23.66793 23.68242 23.70042 23.77885 32.88014 33.01023 44.32330 44.35724 57.22244 57.26864 57.33857 57.35343 57.46327 57.50714 2-A. 6.4593 -0.1912 0.0674 6.4624 -125.2385 -134.2984 -163.1171 0.0104 -0.2755 1.5382 15.6462 6.5862 -22.2324 0.0104 -0.2755 1.5382 185.2522 -4.2717 0.2036 90.3625 1.1224 -0.1916 -12.2526 -1.5047 0.2771 1.7283 -7847.9313 -6894.7631 -308.0561 -7.3323 -2.3197 11.9230 7.1846 0.3311 -5.2613 -2698.7402 -1603.6013 -1281.7759 21.1428 -2.0348 0.3078 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|Beta|Orbitals: (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-NODO01 FUNES 2024-10-31T00:00:00.000 0 coments 1 2 Version=ES64L-G16RevC.02 State=2-A HF=-2896.2695087 S2=0.756861 S2-1=0. S2A=0.750029 RMSD=1.062e-09 Dipole=2.5410092,-0.0818184,0.0313307 Quadrupole=11.6331371,4.9125095,-16.5456466,-0.0134311,-0.1549385,0.9850907 PG=C01[X(C17H13Co1F6N2O2)] 0 1.828032363 -0.0088496313 0.0071300654 0 -0.8747239774 -0.747588018 0.0050331145 0 -2.0180409889 -1.5333778713 0.0436155192 0 -1.867789435 -2.9195893204 0.0339719031 0 -0.5983424355 -3.4786283337 -0.0192000839 0 0.4981087598 -2.6223696794 -0.0531958419 0 0.3561173288 -1.2980747147 -0.0387877625 0 -3.0083255804 -1.0791893156 0.0865240131 0 -0.4437570586 -4.5570246391 -0.0290065691 0 1.522792229 -2.9951776391 -0.0906069888 0 -0.8731254074 0.7317104253 0.0138316728 0 -2.0189832024 1.5185712086 -0.0253724068 0 0.3558347363 1.280401052 0.0556224272 0 -1.8694351742 2.9011931077 -0.019785907 0 -3.0072965572 1.0626005634 -0.0658775055 0 0.4985489543 2.6071724729 0.0684024012 0 -0.5961741149 3.4609733405 0.0330914836 0 1.5236138903 2.9787479859 0.1055984368 0 -0.4419246517 4.5404926936 0.0414647919 0 -3.1083860807 -3.783635272 0.0848820481 0 -3.8139416727 -3.5390194141 1.1924371531 0 -2.8190014298 -5.0826610402 0.0690647706 0 -3.9068355671 -3.5333672232 -0.9562679174 0 -3.0793936398 3.8060810824 -0.1065666373 0 -4.2156983913 3.1473128997 0.1181209047 0 -3.005209435 4.8002218557 0.7798619078 0 -3.1691076674 4.3604371401 -1.3189087922 0 5.0495907814 -0.0107166066 -0.001318478 0 6.139206641 -0.0112106577 -0.0050504185 0 4.3869302858 1.2214653755 0.1096075553 0 3.1222297117 1.3604361487 0.1340482788 0 4.3851026257 -1.2422757098 -0.1071888499 0 3.1201188848 -1.3797232001 -0.1229542065 0 5.174360675 2.4951163129 0.204979928 0 6.2567903816 2.3196786171 0.2147207364 0 4.9184090294 3.1383393702 -0.6514119538 0 4.8814679866 3.03551044 1.1180271455 0 5.1701658305 -2.5170153743 -0.2075084527 0 4.8713164861 -3.0564427932 -1.1192220993 0 6.2527890581 -2.3432291177 -0.2233165157 0 4.9180168281 -3.1603965208 0.6498821294