Gaussian 09 GINC-KIMIK2031 CBGUSER 000018995 EM64L-G09RevD.01 24-Apr-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #popt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 272.16819999999984 0 1 AuxInfo=1/0/N:14,10,8,6,20,19,7,18,17,9,12,13,11,16,15,21,3,4,5,1,2/CRV:5.3,6.3,8.3,9.3,14.3,15.3,16.3,19.1/rA:45OOOOO1CCCCCCCCCC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s6;s6;s1s7;s8;s3;s1s11;s2s11;s10;s2;s15;s15;s16;s17;s18s19;s4s5s16;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s11;s12;s12;s13;s13;s14;s14;s14;s3;s17;s18;s19;s20;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-11245.inp" -scrdir="/scratch/" chk=000018995.chk nprocshared=4 mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 1/7=-1,14=-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=17,6=7,11=2,16=1,24=10,25=1,30=1,71=1,74=1009/1,2,3 4//1 5/5=2,38=5/2 6/7=3,28=1,40=-1,79=1/1,7 7/30=1/1,2,3,16 1/7=-1,14=-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=17,6=7,11=2,16=1,25=1,30=1,71=1,74=1009/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7/30=1/1,2,3,16 1/7=-1,14=-1,18=20,19=15,26=3/3(-5) 2/9=110,15=1/2 6/7=3,19=2,28=1,40=-1,79=1/1,7 99/9=1/99 000018995 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 16 16 16 16 16 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 0.0000000 0.0000000 0.0000000 0.0000000 (Enter /mnt/data/applications/G09/g09/l101.exe) Initialization pass. 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 R45 1 1 2 2 3 3 4 4 5 6 6 6 6 7 7 7 8 8 8 9 9 10 10 10 11 11 11 12 12 13 13 14 14 14 15 15 16 16 17 17 18 18 19 19 20 9 12 13 15 11 40 21 45 21 7 8 22 23 9 24 25 10 26 27 28 29 14 30 31 12 13 32 33 34 35 36 37 38 39 16 17 18 21 19 41 20 42 20 43 44 1.4209 1.4213 1.4237 1.3694 1.4294 0.9726 1.3605 0.981 1.2342 1.5279 1.5312 1.0962 1.0971 1.523 1.0967 1.0957 1.5292 1.0972 1.0971 1.096 1.0964 1.5213 1.096 1.0953 1.5245 1.523 1.095 1.0966 1.0962 1.0984 1.0974 1.0946 1.0947 1.0945 1.395 1.395 1.3948 1.4564 1.3949 1.0859 1.3949 1.0868 1.3948 1.0861 1.0861 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 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 9 13 11 21 7 7 7 8 8 22 6 6 6 9 9 24 6 6 6 10 10 26 1 1 1 7 7 28 8 8 8 14 14 30 3 3 3 12 12 13 1 1 1 11 11 33 2 2 2 11 11 35 10 10 10 37 37 38 2 2 16 15 15 18 15 15 19 16 16 20 17 17 20 18 18 19 4 4 5 1 2 3 4 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 12 15 40 45 8 22 23 22 23 23 9 24 25 24 25 25 10 26 27 26 27 27 7 28 29 28 29 29 14 30 31 30 31 31 12 13 32 13 32 32 11 33 34 33 34 34 11 35 36 35 36 36 37 38 39 38 39 39 16 17 17 18 21 21 19 41 41 20 42 42 20 43 43 19 44 44 5 16 16 111.5502 116.7223 107.8601 111.851 113.4307 109.8191 109.2412 108.2543 109.0957 106.7815 111.5154 108.7704 109.9668 109.2659 109.5391 107.6976 113.4213 108.8512 109.1435 109.3027 109.1691 106.7364 108.8672 109.6402 109.9099 109.4587 110.1565 108.7965 111.3651 109.9067 109.6183 109.5664 108.8848 107.4089 108.7201 107.9787 107.7497 111.4494 109.501 111.3245 109.8319 108.8094 109.4426 109.4034 110.3717 108.9536 108.9466 113.3286 108.9061 109.4069 109.1222 107.0494 110.9695 111.0318 110.2181 108.3301 108.108 108.0789 120.8867 119.1285 119.9847 120.0049 120.8788 119.1163 120.0117 122.6036 117.3497 119.9991 121.7581 118.239 119.9932 120.0396 119.9655 120.0064 120.022 119.9714 122.2506 112.4021 125.3473 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 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 D101 D102 D103 D104 D105 D106 D107 12 12 12 9 9 9 15 15 15 13 13 40 40 40 45 45 8 8 8 22 22 22 23 23 23 7 7 7 22 22 22 23 23 23 6 6 6 24 24 24 25 25 25 6 6 6 26 26 26 27 27 27 8 8 8 30 30 30 31 31 31 3 3 3 13 13 13 32 32 32 3 3 3 12 12 12 32 32 32 2 2 17 17 2 2 16 16 15 15 21 21 15 15 18 18 15 15 41 41 16 16 42 42 17 17 43 43 1 1 1 1 1 1 2 2 2 2 2 3 3 3 4 4 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 17 17 17 17 18 18 18 18 19 19 19 19 9 9 9 12 12 12 13 13 13 15 15 11 11 11 21 21 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 14 14 14 14 14 14 14 14 14 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 16 16 16 16 17 17 17 17 18 18 18 18 21 21 21 21 19 19 19 19 20 20 20 20 20 20 20 20 7 28 29 11 33 34 11 35 36 16 17 12 13 32 5 16 9 24 25 9 24 25 9 24 25 10 26 27 10 26 27 10 26 27 1 28 29 1 28 29 1 28 29 14 30 31 14 30 31 14 30 31 37 38 39 37 38 39 37 38 39 1 33 34 1 33 34 1 33 34 2 35 36 2 35 36 2 35 36 18 21 18 21 19 41 19 41 20 42 20 42 4 5 4 5 20 43 20 43 19 44 19 44 18 44 18 44 179.9919 60.273 -59.2727 178.0656 58.3346 -60.6194 149.1138 27.0658 -91.9606 -149.9369 30.0012 -57.6273 63.4299 -176.2187 0.0292 -179.9156 -178.6578 -58.0895 59.6256 -57.388 63.1803 -179.1046 59.4105 179.9788 -62.3061 -178.9807 59.1113 -57.0322 58.8755 -63.0324 -179.176 -56.968 -178.8759 64.9805 60.6459 -179.5226 -59.9378 -59.6315 60.2 179.7847 -177.3902 -57.5586 62.0261 -177.0278 61.3627 -56.4699 -55.3719 -176.9814 65.186 61.038 -60.5715 -178.4042 -60.3237 60.22 179.9501 61.4834 -177.9728 -58.2428 178.6883 -60.768 58.962 78.676 -161.956 -42.0798 -40.225 79.1431 -160.9807 -163.841 -44.473 75.4032 179.4603 -56.1481 60.6698 -61.1973 63.1943 -179.9878 61.3775 -174.2309 -57.413 179.9302 -0.0097 -0.0074 -179.9473 -179.9209 2.2894 0.0178 -177.7719 -0.003 179.2796 179.938 -0.7794 149.8772 -30.0654 -30.0632 149.9941 -0.0178 -179.5399 177.8859 -1.6362 0.003 179.8183 -179.3046 0.5107 0.0074 -179.808 179.5298 -0.2856 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|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 3.00e-01 1.00e-07 1.00e-06 241 270 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 45 45 45 1.00e+00 60 F 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. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 15225 NPrTT= 76758 LenC2= 13720 LenP2D= 42935. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 258 RedAO= T EigKep= 6.05D-04 NBF= 258 NBsUse= 258 1.00D-06 EigRej= -1.00D+00 NBFU= 258 Using GEDIIS/GDIIS optimizer. local minimum Step number 16 out of a maximum of 241 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00192 0.00324 0.00356 0.00369 0.00385 0.00417 0.00472 0.00486 0.00594 0.00797 0.01390 0.01456 0.01918 0.02046 0.02129 0.02155 0.02157 0.02159 0.02162 0.02164 0.02216 0.02222 0.02297 0.03474 0.03505 0.03540 0.03611 0.04358 0.04817 0.04821 0.04863 0.04866 0.05228 0.05407 0.05533 0.05603 0.05623 0.05787 0.05911 0.05974 0.06109 0.06395 0.07685 0.08397 0.08435 0.08442 0.08524 0.11037 0.11127 0.11345 0.12263 0.12271 0.12284 0.12349 0.13398 0.13433 0.13679 0.15121 0.15911 0.15995 0.16000 0.16002 0.16007 0.16011 0.16074 0.16383 0.17224 0.19963 0.21147 0.21899 0.21924 0.21981 0.22005 0.22116 0.22527 0.23300 0.23528 0.24538 0.24812 0.25016 0.25613 0.26010 0.26760 0.29309 0.29558 0.29749 0.30072 0.30293 0.31045 0.32540 0.33910 0.33952 0.33993 0.34001 0.34010 0.34066 0.34079 0.34095 0.34108 0.34150 0.34185 0.34199 0.34220 0.34266 0.34276 0.34295 0.34326 0.34550 0.35209 0.35257 0.35270 0.35421 0.36217 0.37749 0.39655 0.41674 0.42277 0.42488 0.43236 0.43609 0.46394 0.46508 0.47683 0.49035 0.50279 0.51342 0.52994 0.57369 0.88561 RFO step: Lambda=-2.61647378D-08. 1 2 3 0.00239092 0.00000150 0.00000000 0.00000030 0.00000001 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 R45 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 D101 D102 D103 D104 D105 D106 D107 2.78164 2.78930 2.79020 2.61692 2.77462 1.88361 2.67760 1.87948 2.37195 2.91907 2.91913 2.09277 2.09821 2.89514 2.09428 2.09645 2.92109 2.09830 2.09917 2.10238 2.10139 2.91792 2.09600 2.09607 2.89865 2.91132 2.08430 2.09264 2.09840 2.09255 2.09077 2.09119 2.09112 2.08935 2.71052 2.68272 2.68621 2.80625 2.66239 2.06609 2.65954 2.06513 2.67341 2.07077 2.06776 1.97303 2.09014 1.83981 1.87844 1.97220 1.90108 1.90559 1.91644 1.90837 1.85656 1.98008 1.91813 1.91469 1.89789 1.88654 1.86258 1.97528 1.90905 1.91091 1.90621 1.90492 1.85350 1.88851 1.90625 1.90470 1.93950 1.93381 1.89074 1.97227 1.90466 1.90468 1.91273 1.91206 1.85365 1.92862 1.88866 1.86143 1.95808 1.91348 1.91088 1.83164 1.94107 1.91423 1.93225 1.91957 1.92320 1.84361 1.91635 1.93602 1.92724 1.91538 1.92390 1.93753 1.93664 1.94688 1.87750 1.88099 1.88148 2.04494 2.14650 2.09148 2.07014 2.12324 2.08916 2.09722 2.09686 2.08905 2.11919 2.05757 2.10636 2.10524 2.08167 2.09627 2.08259 2.09802 2.10256 2.09286 1.94301 2.24703 -3.06874 1.10096 -0.96308 -3.07884 1.11429 -1.01750 3.08482 1.00671 -1.12404 -2.99646 0.16994 -0.64088 1.50930 -2.71951 0.00877 -3.10911 -3.12602 -0.99722 1.04549 -0.99118 1.13762 -3.10285 1.02941 -3.12498 -1.08226 -3.13127 1.02234 -1.00201 1.02569 -1.10388 -3.12823 -1.00508 -3.13465 1.12419 1.14831 -3.04214 -0.93914 -0.99172 1.10101 -3.07917 -3.00745 -0.91471 1.18829 3.14015 1.00744 -1.01116 -1.01187 3.13860 1.12000 1.00754 -1.12518 3.13942 -1.04971 1.03719 3.13534 1.07848 -3.11780 -1.01965 3.10574 -1.09054 1.00761 0.91185 3.00778 -1.14587 -1.19749 0.89845 3.02798 2.95864 -1.22861 0.90093 3.13041 -1.08190 1.04241 -1.02055 1.05033 -3.10854 1.10799 -3.10432 -0.98001 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0.00006 -0.00005 -0.00001 0.00075 0.00068 0.00073 -0.00119 -0.00115 -0.00120 -0.00082 -0.00075 -0.00080 0.00097 0.00111 0.00008 0.00001 0.00000 -0.00006 -0.00004 0.00028 0.00021 0.00020 0.00028 0.00021 0.00020 0.00026 0.00019 0.00018 0.00032 0.00032 0.00034 0.00032 0.00032 0.00034 0.00034 0.00034 0.00036 0.00023 0.00026 0.00025 0.00027 0.00030 0.00029 0.00027 0.00030 0.00028 0.00025 0.00024 0.00026 0.00024 0.00023 0.00025 0.00026 0.00025 0.00027 0.00009 0.00006 0.00007 0.00010 0.00008 0.00009 0.00007 0.00005 0.00006 0.00001 -0.00003 0.00000 0.00006 0.00002 0.00005 0.00006 0.00003 0.00005 0.00028 0.00023 0.00012 0.00026 0.00021 0.00010 0.00029 0.00024 0.00013 0.00020 0.00026 0.00006 0.00012 -0.00018 -0.00017 -0.00003 -0.00002 -0.00005 0.00000 -0.00011 -0.00006 0.00064 0.00066 0.00070 0.00072 -0.00001 0.00005 -0.00002 0.00004 0.00001 0.00000 -0.00004 -0.00005 0.00002 0.00003 -0.00004 -0.00003 2.78159 2.78920 2.79009 2.61690 2.77463 1.88359 2.67745 1.87949 2.37199 2.91906 2.91913 2.09278 2.09821 2.89514 2.09427 2.09646 2.92107 2.09830 2.09917 2.10238 2.10141 2.91793 2.09600 2.09608 2.89858 2.91135 2.08432 2.09265 2.09841 2.09256 2.09077 2.09119 2.09113 2.08934 2.71056 2.68272 2.68620 2.80625 2.66238 2.06609 2.65953 2.06514 2.67339 2.07077 2.06776 1.97316 2.09022 1.83986 1.87848 1.97223 1.90107 1.90558 1.91643 1.90837 1.85655 1.98002 1.91815 1.91470 1.89786 1.88663 1.86255 1.97529 1.90904 1.91088 1.90621 1.90495 1.85350 1.88845 1.90626 1.90472 1.93957 1.93382 1.89068 1.97227 1.90467 1.90469 1.91273 1.91206 1.85362 1.92865 1.88864 1.86144 1.95803 1.91353 1.91088 1.83161 1.94107 1.91425 1.93224 1.91957 1.92323 1.84365 1.91632 1.93616 1.92717 1.91531 1.92388 1.93751 1.93663 1.94688 1.87750 1.88101 1.88149 2.04495 2.14650 2.09146 2.07015 2.12329 2.08910 2.09723 2.09675 2.08915 2.11919 2.05752 2.10641 2.10525 2.08165 2.09627 2.08258 2.09801 2.10258 2.09292 1.94296 2.24702 -3.06800 1.10164 -0.96235 -3.08003 1.11314 -1.01869 3.08399 1.00596 -1.12484 -2.99550 0.17105 -0.64080 1.50932 -2.71951 0.00871 -3.10915 -3.12575 -0.99701 1.04570 -0.99090 1.13783 -3.10265 1.02966 -3.12479 -1.08208 -3.13095 1.02266 -1.00166 1.02601 -1.10356 -3.12789 -1.00474 -3.13431 1.12454 1.14854 -3.04188 -0.93889 -0.99145 1.10132 -3.07888 -3.00718 -0.91441 1.18858 3.14040 1.00768 -1.01090 -1.01163 3.13883 1.12025 1.00780 -1.12493 3.13968 -1.04962 1.03725 3.13542 1.07858 -3.11772 -1.01956 3.10581 -1.09049 1.00767 0.91185 3.00775 -1.14587 -1.19743 0.89847 3.02803 2.95871 -1.22858 0.90098 3.13069 -1.08167 1.04253 -1.02028 1.05054 -3.10844 1.10828 -3.10408 -0.97988 -3.08159 0.09872 0.03587 -3.06700 3.09386 -0.03669 -0.02214 3.13050 -0.02543 3.12852 3.07822 -0.05101 -2.93693 0.23103 0.24379 -2.87143 -0.00301 -3.13907 3.12758 -0.00847 0.00077 -3.13421 3.12966 -0.00532 0.01380 -3.13442 -3.13338 0.00159 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000058 0.000007 0.007883 0.002391 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -5.238063e-08 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 R45 1 1 2 2 3 3 4 4 5 6 6 6 6 7 7 7 8 8 8 9 9 10 10 10 11 11 11 12 12 13 13 14 14 14 15 15 16 16 17 17 18 18 19 19 20 9 12 13 15 11 40 21 45 21 7 8 22 23 9 24 25 10 26 27 28 29 14 30 31 12 13 32 33 34 35 36 37 38 39 16 17 18 21 19 41 20 42 20 43 44 1.472 1.476 1.4765 1.3848 1.4683 0.9968 1.4169 0.9946 1.2552 1.5447 1.5447 1.1074 1.1103 1.532 1.1082 1.1094 1.5458 1.1104 1.1108 1.1125 1.112 1.5441 1.1092 1.1092 1.5339 1.5406 1.103 1.1074 1.1104 1.1073 1.1064 1.1066 1.1066 1.1056 1.4343 1.4196 1.4215 1.485 1.4089 1.0933 1.4074 1.0928 1.4147 1.0958 1.0942 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 A76 A77 A78 A79 9 13 11 21 7 7 7 8 8 22 6 6 6 9 9 24 6 6 6 10 10 26 1 1 1 7 7 28 8 8 8 14 14 30 3 3 3 12 12 13 1 1 1 11 11 33 2 2 2 11 11 35 10 10 10 37 37 38 2 2 16 15 15 18 15 15 19 16 16 20 17 17 20 18 18 19 4 4 5 1 2 3 4 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 12 15 40 45 8 22 23 22 23 23 9 24 25 24 25 25 10 26 27 26 27 27 7 28 29 28 29 29 14 30 31 30 31 31 12 13 32 13 32 32 11 33 34 33 34 34 11 35 36 35 36 36 37 38 39 38 39 39 16 17 17 18 21 21 19 41 41 20 42 42 20 43 43 19 44 44 5 16 16 113.0463 119.7562 105.4132 107.6265 112.9986 108.9238 109.1821 109.804 109.3416 106.3729 113.4504 109.9008 109.7037 108.7411 108.0911 106.7177 113.1755 109.3804 109.4868 109.2176 109.1439 106.198 108.2035 109.2199 109.1315 111.1252 110.799 108.3314 113.0028 109.1288 109.1302 109.5915 109.5529 106.2061 110.5017 108.2125 106.6523 112.1898 109.6346 109.4856 104.9455 111.2152 109.6772 110.7098 109.9834 110.1913 105.6311 109.799 110.9255 110.4224 109.7429 110.2311 111.0122 110.9615 111.5479 107.573 107.7727 107.8009 117.1662 122.9856 119.8331 118.6105 121.6526 119.7001 120.1618 120.1412 119.694 121.4205 117.89 120.6857 120.6211 119.2709 120.1072 119.3234 120.2075 120.4681 119.9118 111.3264 128.7452 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 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 D101 D102 D103 D104 D105 D106 12 12 12 9 9 9 15 15 15 13 13 40 40 40 45 45 8 8 8 22 22 22 23 23 23 7 7 7 22 22 22 23 23 23 6 6 6 24 24 24 25 25 25 6 6 6 26 26 26 27 27 27 8 8 8 30 30 30 31 31 31 3 3 3 13 13 13 32 32 32 3 3 3 12 12 12 32 32 32 2 2 17 17 2 2 16 16 15 15 21 21 15 15 18 18 15 15 41 41 16 16 42 42 17 17 43 1 1 1 1 1 1 2 2 2 2 2 3 3 3 4 4 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 17 17 17 17 18 18 18 18 19 19 19 9 9 9 12 12 12 13 13 13 15 15 11 11 11 21 21 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 14 14 14 14 14 14 14 14 14 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 16 16 16 16 17 17 17 17 18 18 18 18 21 21 21 21 19 19 19 19 20 20 20 20 20 20 20 7 28 29 11 33 34 11 35 36 16 17 12 13 32 5 16 9 24 25 9 24 25 9 24 25 10 26 27 10 26 27 10 26 27 1 28 29 1 28 29 1 28 29 14 30 31 14 30 31 14 30 31 37 38 39 37 38 39 37 38 39 1 33 34 1 33 34 1 33 34 2 35 36 2 35 36 2 35 36 18 21 18 21 19 41 19 41 20 42 20 42 4 5 4 5 20 43 20 43 19 44 19 44 18 44 18 -175.826 63.0805 -55.1804 -176.4044 63.844 -58.2983 176.7469 57.6801 -64.4026 -171.6847 9.737 -36.7195 86.4767 -155.8164 0.5024 -178.1391 -179.1078 -57.1365 59.9024 -56.7906 65.1808 -177.7803 58.9808 -179.0479 -62.009 -179.4086 58.5759 -57.4107 58.7678 -63.2477 -179.2342 -57.5869 -179.6024 64.4111 65.7931 -174.3018 -53.8085 -56.8215 63.0835 -176.4232 -172.3142 -52.4091 68.0842 179.9175 57.7218 -57.9351 -57.976 179.8283 64.1714 57.7279 -64.4678 179.8753 -60.144 59.4268 179.642 61.7923 -178.637 -58.4218 177.9459 -62.4834 57.7318 52.2449 172.3331 -65.6534 -68.6111 51.4772 173.4906 169.5178 -70.394 51.6195 179.3592 -61.9882 59.7258 -58.4729 60.1796 -178.1063 63.4831 -177.8643 -56.1503 -176.5734 5.6417 2.052 -175.7329 177.2754 -2.0923 -1.2666 179.3657 -1.4541 179.2512 176.3752 -2.9195 -168.3106 13.1993 13.9282 -164.562 -0.1721 -179.8583 179.1984 -0.4878 0.0432 -179.5771 179.3183 -0.3019 0.7898 -179.591 -179.5267 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 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 0 0 0 0 272.16819999999984 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6.885649 2.512261 3.004776 7.625692 7.332702 2.457374 1.818839 0.000000 2.645160 2.124587 2.712024 6.106529 4.527840 4.140830 4.457140 5.286142 3.957607 5.656043 2.188649 2.812444 1.107331 7.031450 2.763585 4.063426 2.898091 5.094033 4.228953 5.174145 4.721457 3.144414 4.476912 4.555287 5.534210 5.349612 6.229164 4.756852 4.215639 5.904855 4.974222 3.095351 3.072263 3.848892 0.000000 3.945064 2.138005 2.682810 6.232593 4.843118 5.937366 6.094641 7.081850 5.368963 7.421329 2.179246 3.503773 1.106388 8.754183 2.826306 4.192281 2.875958 5.202103 4.228896 5.230837 4.920561 4.955592 6.246660 6.100484 7.161081 7.067189 8.027170 5.963115 5.613276 7.669582 6.664181 2.483548 3.766887 4.336620 1.815930 0.000000 7.248666 9.181155 9.267990 10.951587 9.868115 4.284677 5.312243 2.846922 6.711646 2.198681 9.261673 8.617979 8.836424 1.106608 9.150992 9.639880 8.999325 9.989780 9.365396 9.866119 10.043659 4.825196 4.471913 5.492162 5.214926 3.171585 2.618331 7.471081 6.855777 2.547087 3.108633 10.339133 8.718823 9.263245 7.789929 9.558432 0.000000 6.918138 8.775164 8.501828 11.121697 9.949634 4.280943 5.311021 2.840536 6.705185 2.198012 8.698558 8.321469 8.199183 1.106574 8.766956 9.486034 8.413184 9.860542 8.832453 9.562797 10.083546 4.481427 4.810346 5.199116 5.515004 2.614604 3.158507 7.490953 7.061918 3.108605 2.550269 9.797864 8.582575 9.016714 7.104191 8.765663 1.785642 0.000000 7.581680 8.890063 9.333353 10.643257 9.811681 4.778363 6.092958 3.540131 7.348170 2.204703 9.278789 8.870185 8.575746 1.105635 8.630862 9.137628 8.238618 9.284625 8.399367 8.938832 9.774437 4.948995 4.934485 6.266292 6.276631 3.818855 3.819378 8.256755 7.451497 2.533000 2.528082 10.345052 8.918633 9.673073 7.499050 9.163331 1.787160 1.787453 0.000000 2.141651 4.043988 0.996765 8.003278 5.951270 4.581275 4.020623 5.651777 3.423195 6.598753 1.981737 2.434968 2.792304 7.818515 5.171228 6.356243 5.505484 7.573345 6.875322 7.807092 6.592775 3.953860 5.263685 3.627868 5.004084 5.368883 6.388830 3.648046 4.232382 7.085570 6.186359 2.844644 3.463414 2.775425 2.684922 3.242328 8.402860 7.649471 8.565834 0.000000 5.033797 2.731392 4.692304 5.849721 5.149439 5.917622 6.626033 6.827745 6.238885 6.673105 4.100866 4.973915 2.567544 7.925157 2.183912 3.462517 1.093327 3.914923 2.169421 3.439632 4.727811 4.857542 6.056262 6.791493 7.670515 6.963836 7.854929 7.111448 6.275691 6.797352 5.750574 4.574204 4.902498 6.013620 2.438019 2.304251 8.838436 8.057532 8.071008 4.922245 0.000000 7.457264 4.562957 8.246837 2.309347 3.927006 7.875625 8.676623 8.955251 8.000834 8.581932 6.946013 6.990770 5.884513 9.924884 3.436961 2.160595 3.914333 1.092818 3.433254 2.178234 2.688641 7.286318 7.254166 9.410240 9.349852 9.650710 9.636663 8.845600 7.306142 8.016795 8.038616 7.050583 6.106573 7.877822 6.076771 6.208140 10.546865 10.567081 9.875858 8.480827 5.007635 0.000000 7.186484 4.625614 7.173872 6.073306 6.285621 7.383401 8.413887 8.062124 8.184799 7.450561 6.484051 7.177908 4.949473 8.526095 3.439699 3.937081 2.166890 3.431078 1.095802 2.181154 5.420133 6.413578 7.299089 8.716485 9.364860 8.351244 9.061685 9.161632 8.019152 7.370464 6.482462 6.877764 6.870185 8.251144 4.759962 4.719522 9.477444 8.804667 8.348915 7.357000 2.486277 4.344817 0.000000 8.201276 5.319757 8.653312 4.745871 5.847100 8.278873 9.331604 9.074888 8.949141 8.400202 7.623604 8.000915 6.228490 9.543593 3.936976 3.456022 3.444860 2.174303 2.183696 1.094212 4.686352 7.506061 7.857473 9.890345 10.131571 9.626038 9.915948 9.918664 8.474596 7.988673 7.630720 7.875713 7.362721 9.028242 6.201525 6.254770 10.343130 10.072700 9.294306 8.856756 4.342910 2.515609 2.519215 0.000000 6.958347 4.738220 8.022587 0.994576 2.348211 7.954547 8.249834 9.309732 7.184962 9.410734 6.558855 6.132947 6.185938 10.890874 4.484742 3.245365 5.706378 3.706672 5.958083 5.113428 1.962225 7.643572 7.227932 9.102554 8.713296 10.063936 9.756197 7.713817 6.300460 8.803539 9.148086 6.427095 5.053561 6.651793 6.629831 6.798776 11.287963 11.561248 11.120124 8.283450 6.649177 3.255754 7.032842 5.724431 0.000000 0.2906558 0.1550641 0.1284864 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 251 251 251 251 251 MxSgAt= 45 MxSgA2= 45. SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 45 45 45 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 45 45 45 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 45 45 45 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 45 45 45 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 45 45 45 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 45 45 45 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 45 45 45 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 45 45 45 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 45 45 45 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 45 45 45 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 45 45 45 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 45 45 45 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 45 45 45 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 45 45 45 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 45 45 45 1.00e+00 60 F 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. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 15225 NPrTT= 76758 LenC2= 12862 LenP2D= 39243. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 258 RedAO= T EigKep= 6.82D-04 NBF= 258 NBsUse= 258 1.00D-06 EigRej= -1.00D+00 NBFU= 258 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 244 245 245 245 246 MxSgAt= 45 MxSgA2= 45. 1 Closed 1 0 1 -998.443161963446 -998.480505517826 -0.037343554380 -998.763464409868 -0.282958892042 -997.190637477551 1.572826932317 -998.725158163534 -1.534520685983 -998.907903323160 -0.182745159625 -998.909664778600 -0.001761455440 -998.910282388180 -0.000617609581 -998.910390397831 -0.000108009651 -998.910395222527 -0.000004824696 -998.910309910102 0.000085312425 -998.910310434741 -0.000000524639 -998.910310512552 -0.000000077811 -998.910310966581 -0.000000454029 -998.910311018492 -0.000000051911 -998.910311020297 -0.000000001806 -998.910311020443 -0.000000000146 -998.910311020457 -0.000000000014 -998.910311020 18 9.955623303990e+02 -5.962404564017e+03 2.153935632010e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=567072454. IVT= 221428 IEndB= 221428 NGot= 939524096 MDV= 381138503 LenX= 381138503 LenY= 381071498 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 33411 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. -1.18344791e+00 5.60338244e-01 1.38279731e-01 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 8 8 8 8 8 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.010140964 -0.000373630 -0.027930196 0.001804100 -0.005063929 0.025964116 0.025588550 0.003781147 -0.018996565 -0.031595553 0.006311810 0.016101392 0.031625600 -0.003613882 0.012227739 -0.005580114 -0.001012689 -0.001765522 0.000738005 -0.005635300 -0.004185945 0.004663151 -0.001912751 0.003140997 -0.014577505 0.014908114 0.007539845 0.001050391 0.004834938 -0.000962204 -0.009461467 0.002012421 0.013674259 0.012109372 -0.017400083 0.012316590 0.015082316 0.002324754 -0.018998486 -0.004694452 -0.003434122 -0.000773670 0.008388608 0.001524806 -0.015548749 -0.003896804 -0.003811205 0.014943600 -0.009987124 -0.001216942 -0.017455867 -0.015172172 -0.004602527 -0.004903031 -0.001771557 0.000563467 -0.006815726 -0.013355181 -0.005046220 0.000636565 0.007442256 -0.001492438 -0.013937063 0.004946603 -0.003394188 -0.003471647 -0.000106844 -0.006277530 0.005892142 0.001674808 0.006422880 -0.004101058 -0.002029306 0.004212420 0.006274191 -0.000383921 0.005748274 -0.006356011 -0.004616810 0.005195119 0.005642574 0.007529306 0.008097591 0.005849241 -0.000071154 -0.006722454 0.009599927 0.000887886 -0.005606183 0.005635032 0.005126135 -0.005665041 -0.004019496 0.004257799 -0.000946577 -0.000863982 0.001661053 -0.006510980 0.008446768 0.009959569 0.005127504 0.001493346 -0.006547974 0.003200255 0.003094977 0.005721754 -0.001290508 -0.006402595 -0.004318406 0.004409488 0.004374327 -0.000120547 0.004827572 -0.005630768 -0.006721909 -0.004177381 -0.002598325 -0.011689140 0.012235410 -0.004445933 0.005885945 0.002627206 -0.001396069 0.001759993 0.000825873 0.006845780 -0.002019634 0.000098624 -0.006164660 -0.005717264 -0.002034943 -0.000419151 0.006672603 -0.002048167 0.008449311 0.031625600 0.009023346 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -998.938499758501 -998.938513181986 -0.000013423485 -998.938513099134 0.000000082852 -998.938513238731 -0.000000139597 -998.938513246320 -0.000000007589 -998.938513253821 -0.000000007502 -998.938513253913 -0.000000000091 -998.938513253932 -0.000000000019 -998.938513254 8 9.940528127489e+02 -5.686019875068e+03 2.016781105172e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=567072454. IVT= 221428 IEndB= 221428 NGot= 939524096 MDV= 381138503 LenX= 381138503 LenY= 381071498 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 33411 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. (Enter /mnt/data/applications/G09/g09/l716.exe) alpha 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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V -18.802269 -18.799825 -18.767594 -18.759642 -18.753126 -10.034936 -9.984961 -9.954489 -9.954371 -9.943499 -9.937854 -9.932418 -9.924972 -9.919903 -9.918066 -9.912682 -9.894515 -9.886562 -9.885136 -9.884933 -9.878220 -1.008044 -0.982006 -0.941810 -0.925815 -0.915467 -0.790797 -0.727990 -0.716882 -0.706211 -0.692305 -0.671926 -0.642301 -0.618268 -0.601778 -0.571895 -0.562147 -0.536776 -0.527669 -0.518045 -0.510508 -0.491705 -0.464897 -0.454366 -0.439843 -0.433410 -0.426684 -0.420863 -0.412998 -0.409019 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AuxInfo=1/0/N:14,10,8,6,20,19,7,18,17,9,12,13,11,16,15,21,3,4,5,1,2/CRV:5.3,6.3,8.3,9.3,14.3,15.3,16.3,19.1/rA:45OOOOO1CCCCCCCCCC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s6;s6;s1s7;s8;s3;s1s11;s2s11;s10;s2;s15;s15;s16;s17;s18s19;s4s5s16;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s11;s12;s12;s13;s13;s14;s14;s14;s3;s17;s18;s19;s20;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2031 CBGUSER 000018995 EM64L-G09RevD.01 25-Apr-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 129 C1[X(C16H24O5)] RPBEPBE SDD Freq #pfreq=noraman PBEPBE/SDD 272.16819999999984 0 1 AuxInfo=1/0/N:14,10,8,6,20,19,7,18,17,9,12,13,11,16,15,21,3,4,5,1,2/CRV:5.3,6.3,8.3,9.3,14.3,15.3,16.3,19.1/rA:45OOOOO1CCCCCCCCCC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s6;s6;s1s7;s8;s3;s1s11;s2s11;s10;s2;s15;s15;s16;s17;s18s19;s4s5s16;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s11;s12;s12;s13;s13;s14;s14;s14;s3;s17;s18;s19;s20;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-12193.inp" -scrdir="/scratch/" chk=000018995-Freq.chk nprocshared=4 mem=7GB #p freq=noraman PBEPBE/SDD 1/10=4,30=1,38=1/1,3 2/12=2,17=6,18=5,40=1/2 3/5=17,6=7,11=2,16=1,25=1,30=1,71=2,74=1009,140=1/1,2,3 4//1 5/5=2,38=5,98=1/2 8/6=4,10=90,11=11/1 11/6=1,8=1,9=11,15=111,16=1/1,2,10 10/6=1/2 6/7=2,8=2,9=2,10=2,18=1,28=1/1 7/8=1,10=1,25=1/1,2,3,16 1/10=4,30=1/3 99//99 000018995 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 16 16 16 16 16 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 0.0000000 0.0000000 0.0000000 0.0000000 (Enter /mnt/data/applications/G09/g09/l101.exe) Initialization pass. 3.00e-01 1.00e-07 1.00e-07 2 2 Search for a local minimum. |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000195 0.000056 0.088676 0.025702 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -2.198723e-05 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 1676.2473949863 258 600 258 80 80 IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 45 45 45 1.00e+00 60 F 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 0 0 0 0 272.16819999999984 AuxInfo=1/0/N:14,10,8,6,20,19,7,18,17,9,12,13,11,16,15,21,3,4,5,1,2/CRV:5.3,6.3,8.3,9.3,14.3,15.3,16.3,19.1/rA:45OOOOO1CCCCCCCCCC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s6;s6;s1s7;s8;s3;s1s11;s2s11;s10;s2;s15;s15;s16;s17;s18s19;s4s5s16;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s11;s12;s12;s13;s13;s14;s14;s14;s3;s17;s18;s19;s20;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 3.564486 0.000000 2.724429 3.698683 0.000000 6.785582 4.223921 7.729208 0.000000 4.664768 2.749955 5.728989 2.314501 0.000000 3.022058 5.362717 5.378105 7.703825 6.090172 0.000000 2.433690 5.605404 4.879879 8.137375 6.216098 1.544704 0.000000 4.415209 6.719537 6.522313 9.015805 7.553512 1.544736 2.576220 0.000000 1.471980 4.660608 4.088282 7.156226 5.050751 2.572317 1.532041 3.949706 0.000000 5.424068 7.017999 7.379086 9.006075 7.887077 2.579741 3.959931 1.545774 5.152012 0.000000 2.387329 2.404026 1.468265 6.283875 4.276922 5.158668 4.809228 6.504552 3.745657 7.250603 0.000000 1.476034 2.875083 2.467029 6.029468 3.792193 4.348680 3.781360 5.814216 2.458964 6.719454 1.533900 0.000000 2.969332 1.476509 2.437869 5.696301 4.069459 5.018016 5.138453 6.272697 4.341603 6.701219 1.540602 2.551724 0.000000 6.812442 8.502988 8.643013 10.474086 9.424215 3.959186 5.152830 2.576642 6.491871 1.544098 8.654826 8.165321 8.107093 0.000000 4.601976 1.384815 4.892519 3.737418 3.043332 5.754987 6.321490 6.974948 5.581775 6.968995 3.722740 4.151077 2.475357 8.412162 0.000000 5.458993 2.406003 6.094833 2.396535 2.472620 6.379786 6.986228 7.619995 6.184683 7.529383 4.785752 4.913730 3.767688 8.984606 1.434348 0.000000 5.254026 2.464485 5.266493 4.859185 4.446915 6.046726 6.811086 7.042255 6.327804 6.822355 4.399835 5.066632 2.899535 8.139650 1.419635 2.469552 0.000000 6.697348 3.700320 7.335408 2.723591 3.696356 7.208164 8.018690 8.287582 7.376459 7.941835 6.100675 6.281769 4.929491 9.299514 2.455735 1.421483 2.821659 0.000000 6.521516 3.736657 6.665621 5.008854 5.207172 6.903375 7.852975 7.750607 7.481281 7.268761 5.801009 6.391326 4.307607 8.481849 2.451562 2.841318 1.408876 2.435616 0.000000 7.164032 4.225803 7.589903 4.128059 4.914334 7.452830 8.416348 8.356121 7.959266 7.828535 6.534985 6.920482 5.157732 9.069683 2.842774 2.467212 2.452912 1.407368 1.414705 0.000000 5.432433 2.848727 6.335726 1.416925 1.255182 6.551974 6.932985 7.917505 5.929736 8.016070 4.901463 4.686770 4.309598 9.522232 2.549139 1.485003 3.839923 2.513483 4.324631 3.815223 0.000000 2.658184 4.557306 4.677404 7.282735 5.704194 1.107448 2.173046 2.184455 2.788892 2.821658 4.456176 3.928198 4.105132 4.260191 4.905771 5.691594 5.069209 6.516111 5.972966 6.650289 6.056036 0.000000 3.428997 5.294927 5.956027 7.022422 5.564945 1.110324 2.178534 2.180630 2.811133 2.806316 5.474399 4.526010 5.259912 4.246498 5.558579 5.941972 5.983910 6.705863 6.727046 7.072304 5.990909 1.775526 0.000000 2.638820 5.995213 4.583403 8.946992 6.964364 2.186264 1.108243 2.806738 2.160181 4.255391 4.849863 4.051346 5.264359 5.274928 6.783724 7.617945 7.143068 8.669384 8.245406 8.959528 7.673944 2.543676 3.098415 0.000000 3.383591 6.537558 5.858944 8.694866 6.807323 2.184587 1.109395 2.825809 2.152551 4.260764 5.767278 4.596325 6.177011 5.289460 7.236035 7.769997 7.790977 8.778732 8.780707 9.247567 7.581472 3.092534 2.525298 1.779408 0.000000 4.525287 7.031724 6.291720 9.740979 8.171057 2.181170 2.810677 1.110375 4.235522 2.179970 6.522635 5.986694 6.358689 2.804019 7.377391 8.186149 7.340720 8.899999 8.123778 8.880998 8.561312 2.537142 3.097118 2.584665 3.164867 0.000000 5.010875 7.533384 7.287189 9.553680 8.076201 2.182886 2.803382 1.110832 4.240568 2.179353 7.252924 6.389278 7.159755 2.801087 7.833005 8.369349 8.008419 9.049849 8.704645 9.213206 8.520101 3.100124 2.541409 3.118801 2.597001 1.776241 0.000000 2.117225 5.351399 4.273198 7.791583 5.586038 3.535932 2.193959 4.764906 1.112530 6.088172 4.076506 2.737460 4.986078 7.339929 6.408206 6.993137 7.227984 8.252763 8.436238 8.905817 6.596057 3.832637 3.802301 2.536172 2.457818 4.938536 4.901846 0.000000 2.115701 4.478523 4.751829 6.338032 4.316916 2.794453 2.189428 4.250189 1.112005 5.266277 4.080962 2.673499 4.520911 6.678961 5.278289 5.637003 6.170920 6.796843 7.226380 7.514288 5.214795 3.074591 2.575827 3.093821 2.556100 4.781442 4.470173 1.803461 0.000000 5.656103 6.964562 7.806621 8.429725 7.486345 2.803830 4.241412 2.177911 5.269356 1.109154 7.474969 6.830957 6.882174 2.182430 6.807446 7.162117 6.767877 7.490266 7.104072 7.469792 7.563060 3.141517 2.572709 4.782730 4.438396 3.093427 2.533833 6.240161 5.147840 0.000000 5.235325 6.424520 6.891671 8.646327 7.593662 2.805539 4.248683 2.177956 5.268769 1.109190 6.774090 6.460889 6.050353 2.181959 6.283811 6.952730 5.968884 7.313799 6.384710 7.061252 7.614688 2.592530 3.125721 4.455094 4.794136 2.532714 3.093202 6.272083 5.423861 1.774046 0.000000 3.353881 2.664969 2.073758 6.208516 4.269912 6.197066 5.785041 7.578611 4.588079 8.316724 1.102962 2.169413 2.173385 9.738380 3.997626 4.930283 4.784546 6.266164 6.150377 6.791576 4.913366 5.523248 6.435784 5.849551 6.683264 7.616630 8.298263 4.766891 4.818542 8.492482 7.833223 0.000000 2.141948 2.466847 3.426405 4.992439 2.725060 4.485361 4.132514 6.017760 2.772152 6.780192 2.186437 1.107378 2.748469 8.288337 3.626327 4.116932 4.753247 5.499757 5.976263 6.299215 3.691517 4.108927 4.391002 4.648467 4.858140 6.376293 6.558045 3.186829 2.518039 6.713860 6.541448 2.588850 0.000000 2.124972 3.835880 2.773163 6.684966 4.385277 5.005790 4.128658 6.435377 2.706619 7.493886 2.179467 1.110425 3.508310 8.895579 5.157307 5.833000 6.121289 7.231373 7.453490 7.945441 5.421751 4.750233 5.208826 4.316234 4.779640 6.554656 6.885649 2.512261 3.004777 7.625692 7.332703 2.457374 1.818839 0.000000 2.645160 2.124587 2.712024 6.106529 4.527840 4.140831 4.457140 5.286142 3.957607 5.656043 2.188649 2.812443 1.107331 7.031451 2.763585 4.063426 2.898091 5.094033 4.228953 5.174145 4.721457 3.144414 4.476913 4.555287 5.534210 5.349612 6.229164 4.756852 4.215638 5.904855 4.974223 3.095351 3.072263 3.848893 0.000000 3.945064 2.138005 2.682810 6.232593 4.843118 5.937367 6.094642 7.081850 5.368964 7.421330 2.179247 3.503773 1.106389 8.754184 2.826306 4.192282 2.875957 5.202103 4.228896 5.230837 4.920562 4.955592 6.246661 6.100485 7.161082 7.067189 8.027170 5.963115 5.613276 7.669582 6.664182 2.483548 3.766887 4.336620 1.815930 0.000000 7.248666 9.181155 9.267991 10.951587 9.868115 4.284677 5.312244 2.846922 6.711647 2.198681 9.261673 8.617980 8.836424 1.106608 9.150993 9.639881 8.999326 9.989780 9.365396 9.866119 10.043659 4.825196 4.471913 5.492162 5.214926 3.171585 2.618332 7.471082 6.855777 2.547088 3.108633 10.339134 8.718823 9.263246 7.789929 9.558432 0.000000 6.918138 8.775164 8.501828 11.121696 9.949633 4.280942 5.311021 2.840536 6.705185 2.198012 8.698558 8.321468 8.199182 1.106574 8.766956 9.486034 8.413183 9.860542 8.832452 9.562797 10.083545 4.481427 4.810345 5.199116 5.515004 2.614604 3.158508 7.490954 7.061918 3.108605 2.550268 9.797864 8.582574 9.016714 7.104191 8.765663 1.785642 0.000000 7.581680 8.890063 9.333353 10.643256 9.811680 4.778363 6.092958 3.540130 7.348170 2.204702 9.278789 8.870185 8.575746 1.105635 8.630862 9.137628 8.238618 9.284625 8.399366 8.938832 9.774437 4.948995 4.934485 6.266292 6.276631 3.818856 3.819378 8.256755 7.451496 2.533000 2.528082 10.345052 8.918633 9.673073 7.499050 9.163331 1.787160 1.787453 0.000000 2.141651 4.043988 0.996764 8.003278 5.951269 4.581276 4.020623 5.651778 3.423196 6.598754 1.981737 2.434968 2.792304 7.818516 5.171228 6.356243 5.505483 7.573345 6.875322 7.807092 6.592774 3.953861 5.263685 3.627868 5.004084 5.368883 6.388830 3.648046 4.232381 7.085570 6.186359 2.844643 3.463413 2.775425 2.684922 3.242328 8.402861 7.649471 8.565834 0.000000 5.033796 2.731393 4.692304 5.849721 5.149439 5.917623 6.626033 6.827745 6.238885 6.673105 4.100867 4.973915 2.567545 7.925157 2.183913 3.462518 1.093326 3.914923 2.169420 3.439632 4.727811 4.857542 6.056263 6.791494 7.670515 6.963836 7.854929 7.111449 6.275691 6.797351 5.750574 4.574205 4.902499 6.013621 2.438020 2.304252 8.838436 8.057532 8.071008 4.922245 0.000000 7.457264 4.562957 8.246836 2.309347 3.927007 7.875625 8.676623 8.955251 8.000834 8.581932 6.946013 6.990771 5.884514 9.924884 3.436961 2.160595 3.914334 1.092818 3.433255 2.178235 2.688641 7.286318 7.254166 9.410240 9.349853 9.650711 9.636663 8.845599 7.306142 8.016795 8.038616 7.050583 6.106573 7.877822 6.076771 6.208140 10.546865 10.567080 9.875858 8.480827 5.007636 0.000000 7.186483 4.625614 7.173871 6.073306 6.285621 7.383401 8.413888 8.062123 8.184799 7.450560 6.484051 7.177908 4.949473 8.526096 3.439700 3.937081 2.166890 3.431078 1.095803 2.181154 5.420133 6.413578 7.299089 8.716486 9.364860 8.351244 9.061685 9.161632 8.019151 7.370463 6.482462 6.877765 6.870185 8.251144 4.759962 4.719522 9.477444 8.804667 8.348914 7.357000 2.486276 4.344818 0.000000 8.201276 5.319757 8.653312 4.745871 5.847101 8.278874 9.331605 9.074887 8.949142 8.400202 7.623605 8.000916 6.228491 9.543593 3.936976 3.456022 3.444860 2.174303 2.183696 1.094212 4.686353 7.506061 7.857473 9.890345 10.131571 9.626039 9.915948 9.918664 8.474596 7.988673 7.630720 7.875713 7.362722 9.028243 6.201526 6.254770 10.343130 10.072700 9.294306 8.856756 4.342910 2.515610 2.519216 0.000000 6.958347 4.738221 8.022587 0.994577 2.348212 7.954548 8.249835 9.309733 7.184962 9.410735 6.558856 6.132947 6.185939 10.890874 4.484742 3.245365 5.706379 3.706672 5.958084 5.113428 1.962226 7.643572 7.227933 9.102554 8.713297 10.063937 9.756197 7.713817 6.300461 8.803539 9.148086 6.427096 5.053562 6.651793 6.629832 6.798777 11.287964 11.561248 11.120124 8.283450 6.649178 3.255754 7.032843 5.724432 0.000000 C16H24O5 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 0 0 0 0 272.16819999999984 AuxInfo=1/0/N:14,10,8,6,20,19,7,18,17,9,12,13,11,16,15,21,3,4,5,1,2/CRV:5.3,6.3,8.3,9.3,14.3,15.3,16.3,19.1/rA:45OOOOO1CCCCCCCCCC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s6;s6;s1s7;s8;s3;s1s11;s2s11;s10;s2;s15;s15;s16;s17;s18s19;s4s5s16;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s11;s12;s12;s13;s13;s14;s14;s14;s3;s17;s18;s19;s20;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2906558 0.1550641 0.1284864 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. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 15225 NPrTT= 76758 LenC2= 12862 LenP2D= 39243. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 258 RedAO= T EigKep= 6.82D-04 NBF= 258 NBsUse= 258 1.00D-06 EigRej= -1.00D+00 NBFU= 258 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 244 245 245 245 246 MxSgAt= 45 MxSgA2= 45. 1 Closed 1 0 1 -998.497678711581 -998.509187111891 -0.011508400310 -998.793093229668 -0.283906117777 -998.728202574402 0.064890655266 -998.916214925008 -0.188012350606 -998.936247277941 -0.020032352933 -998.938015944825 -0.001768666884 -998.938545013067 -0.000529068242 -998.938556650890 -0.000011637822 -998.938484901466 0.000071749424 -998.938484882563 0.000000018903 -998.938485456391 -0.000000573829 -998.938485559047 -0.000000102656 -998.938485624401 -0.000000065354 -998.938485631284 -0.000000006883 -998.938485631385 -0.000000000101 -998.938485631371 0.000000000014 -998.938485631412 -0.000000000041 -998.938485631 18 9.940530775226e+02 -5.686020123450e+03 2.016781165309e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep J ints in memory in canonical form, NReq=567072886. IVT= 221860 IEndB= 221860 NGot= 939524096 MDV= 381138071 LenX= 381138071 LenY= 381071066 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 33411 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. Using compressed storage, NAtomX= 45. Will process 46 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=111111111111111111111111111111111111111111111 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. MDV= 939523384 using IRadAn= 2. Generate precomputed XC quadrature information. Keep J ints in memory in canonical form, NReq=566864233. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 33411 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Solving linear equations simultaneously, MaxMat= 0. There are 138 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 135 vectors produced by pass 0 Test12= 1.42D-14 1.00D-09 XBig12= 2.71D+02 8.16D+00. AX will form 135 AO Fock derivatives at one time. 135 vectors produced by pass 1 Test12= 1.42D-14 1.00D-09 XBig12= 7.60D+01 1.93D+00. 135 vectors produced by pass 2 Test12= 1.42D-14 1.00D-09 XBig12= 3.42D-01 5.12D-02. 134 vectors produced by pass 3 Test12= 1.42D-14 1.00D-09 XBig12= 1.25D-04 8.19D-04. 73 vectors produced by pass 4 Test12= 1.42D-14 1.00D-09 XBig12= 1.93D-08 1.10D-05. 6 vectors produced by pass 5 Test12= 1.42D-14 1.00D-09 XBig12= 1.54D-12 6.81D-08. 3 vectors produced by pass 6 Test12= 1.42D-14 1.00D-09 XBig12= 5.74D-16 1.66D-09. InvSVY: IOpt=1 It= 1 EMax= 1.07D-14 Solved reduced A of dimension 621 with 138 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 191.94 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 181.582 -25.238 207.454 -17.343 -16.816 186.781 276.785 -69.590 357.927 -45.483 -38.149 348.351 (Enter /mnt/data/applications/G09/g09/l716.exe) PT4002.500S 2017-04-25T00:18:37.000+02:00 -18.80227 -18.79985 -18.76758 -18.75964 -18.75313 -10.03493 -9.98495 -9.95450 -9.95438 -9.94349 -9.93786 -9.93241 -9.92496 -9.91990 -9.91806 -9.91267 -9.89450 -9.88656 -9.88513 -9.88492 -9.87822 -1.00804 -0.98202 -0.94181 -0.92581 -0.91547 -0.79079 -0.72799 -0.71688 -0.70621 -0.69230 -0.67193 -0.64230 -0.61827 -0.60178 -0.57189 -0.56215 -0.53678 -0.52767 -0.51804 -0.51050 -0.49170 -0.46490 -0.45437 -0.43984 -0.43341 -0.42668 -0.42087 -0.41300 -0.40902 -0.40641 -0.39946 -0.39284 -0.38931 -0.37871 -0.37022 -0.36303 -0.35625 -0.34777 -0.34182 -0.33794 -0.33579 -0.32931 -0.32180 -0.32044 -0.30181 -0.29626 -0.28925 -0.28638 -0.28134 -0.27861 -0.27235 -0.27085 -0.26825 -0.26465 -0.24209 -0.22343 -0.21891 -0.21091 -0.20565 -0.08752 -0.03967 -0.00137 0.02788 0.04376 0.04775 0.08368 0.08468 0.08984 0.09527 0.10204 0.10578 0.10858 0.11430 0.11895 0.12619 0.12875 0.13656 0.13876 0.14103 0.14571 0.14824 0.15628 0.15703 0.16209 0.16691 0.17502 0.17727 0.18035 0.18385 0.18700 0.18860 0.19492 0.19868 0.20315 0.20431 0.21149 0.21467 0.22481 0.23129 0.23635 0.24182 0.24961 0.25404 0.25746 0.26252 0.27091 0.27479 0.27675 0.27948 0.28964 0.29166 0.30150 0.30859 0.31164 0.31859 0.32434 0.33438 0.33874 0.34334 0.35022 0.35324 0.35740 0.36044 0.36368 0.36770 0.36960 0.38493 0.39080 0.39366 0.40313 0.40791 0.41780 0.42093 0.42485 0.42584 0.43078 0.44283 0.44622 0.45158 0.46227 0.47922 0.48733 0.49606 0.49876 0.50492 0.51739 0.52715 0.53808 0.54632 0.58307 0.60497 0.60952 0.62219 0.62832 0.65035 0.65519 0.67391 0.67704 0.70487 0.70983 0.75370 0.76528 0.77392 0.80795 0.81516 0.82374 0.83790 0.83953 0.84836 0.86629 0.89245 0.89790 0.90474 0.91457 0.92208 0.94796 0.97252 0.97922 0.98715 0.99260 0.99376 0.99903 1.01354 1.02761 1.03645 1.04304 1.05725 1.07576 1.07999 1.08512 1.09929 1.10956 1.11846 1.12471 1.13870 1.14886 1.15653 1.16248 1.17096 1.18250 1.21602 1.24594 1.24991 1.26682 1.30255 1.31315 1.33079 1.33701 1.38172 1.46756 1.48949 1.59308 1.70375 1.72738 1.76441 1.81504 22.25107 22.46690 22.48299 22.49813 22.54768 22.56331 22.57111 22.57996 22.60566 22.62948 22.64686 22.65660 22.67270 22.67962 22.68759 22.76454 41.46191 41.51435 41.52749 41.54930 41.56845 1-A. Mulliken charges: 1 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 O O O O O C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H -0.328153 -0.252552 -0.455723 -0.449528 -0.242651 -0.349108 -0.408147 -0.339623 -0.237953 -0.356037 -0.143957 -0.307388 -0.325822 -0.694605 0.277794 0.106824 -0.343038 -0.294155 -0.220897 -0.245105 0.111163 0.209461 0.183684 0.207229 0.193212 0.187052 0.180601 0.196677 0.193412 0.195379 0.195101 0.238959 0.274443 0.208240 0.231175 0.232851 0.209322 0.209473 0.215428 0.355275 0.256497 0.280295 0.230871 0.234759 0.379265 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 O O O O O C C C C C C C C C C C C C C C C -0.328153 -0.252552 -0.100448 -0.070263 -0.242651 0.044037 -0.007706 0.028031 0.152136 0.034442 0.095002 0.175295 0.138204 -0.060383 0.277794 0.106824 -0.086542 -0.013860 0.009974 -0.010346 0.111163 0.00000 3.23125143e-01 8.47139850e-01 3.43469258e-01 1.81582338e+02 -2.52382473e+01 2.07453626e+02 -1.73427269e+01 -1.68159825e+01 1.86781361e+02 -9.0853 -3.4437 -0.0006 0.0003 0.0009 4.4087 8.5406 15.9009 22.1422 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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 7.8676 15.6412 21.7409 35.1215 45.0961 50.9270 67.1694 82.0030 91.8649 114.8852 126.4261 129.0901 137.8537 168.8772 180.3902 196.7237 230.8855 232.4537 243.4376 261.2371 278.9568 308.9548 340.0244 367.6327 403.5139 415.7544 423.6345 450.4304 509.9448 520.6854 527.8873 540.5283 578.2272 580.6782 603.8468 612.8683 683.7513 721.5690 723.3965 745.0384 762.3313 775.0118 808.2482 810.8574 855.6947 864.1494 879.6644 889.3509 892.9259 931.7088 959.1073 963.4748 964.3070 982.1915 990.8225 998.4196 1009.7536 1028.6970 1045.3062 1050.0679 1077.5951 1084.2584 1091.7831 1115.8469 1120.1135 1131.1699 1142.7378 1159.0470 1176.2598 1183.2042 1197.5546 1214.8044 1223.3769 1239.9793 1247.8824 1253.6667 1267.9747 1272.7414 1283.9914 1293.1732 1301.7730 1311.3416 1329.5610 1338.7608 1351.9872 1362.4349 1363.5805 1386.7480 1391.3181 1392.7109 1397.3636 1430.9881 1450.4126 1461.6775 1464.6134 1468.2551 1469.8413 1478.3670 1480.5202 1483.5960 1487.8182 1488.2007 1580.9501 1602.4757 1642.8817 2927.3581 2951.0407 2957.4538 2963.5123 2969.0547 2971.5456 2971.9671 2985.2140 2986.8704 2991.8353 3015.3185 3027.1007 3035.1311 3049.7176 3052.9413 3067.8588 3070.8058 3072.8318 3135.5704 3158.3739 3172.7339 3185.5383 3476.5902 3531.2885 5.0434 5.1355 3.9356 4.8731 11.4169 1.7658 3.7341 5.6661 3.1126 3.1260 3.7137 2.8389 2.7631 2.8050 2.9509 5.6468 2.8958 1.2086 5.2315 2.3863 5.2588 5.5191 2.8772 6.5584 3.2238 3.3199 2.7754 5.0592 2.3188 3.2993 1.1636 4.8346 1.6607 2.6407 5.5969 2.7338 3.8673 4.8226 1.1000 1.2091 1.9544 2.1378 3.8971 1.6920 2.9213 1.5507 2.1703 1.8913 1.5760 2.0355 1.7996 4.0955 1.5612 5.1168 1.3578 1.8099 2.1093 3.0678 2.2734 2.6607 2.3147 2.0080 2.4035 1.8480 2.2364 1.8817 1.8281 1.6574 1.0878 1.1175 1.4682 1.2709 1.3489 3.0571 1.3194 1.2722 1.2377 1.6720 1.0445 1.1299 2.2829 1.3381 1.2592 1.2360 1.5773 1.6535 1.4404 3.0195 1.2227 1.8546 1.4238 2.3018 1.0822 1.2443 1.0703 1.0892 1.0744 1.0422 1.0738 1.7889 1.1343 1.0878 7.0748 6.3333 8.3640 1.0556 1.0590 1.0590 1.0618 1.0603 1.0386 1.0745 1.0549 1.0908 1.0953 1.0980 1.1025 1.1048 1.1032 1.1000 1.1007 1.0992 1.0962 1.0869 1.0912 1.0946 1.0973 1.0648 1.0641 0.0002 0.0007 0.0011 0.0035 0.0137 0.0027 0.0099 0.0224 0.0155 0.0243 0.0350 0.0279 0.0309 0.0471 0.0566 0.1288 0.0910 0.0385 0.1827 0.0959 0.2411 0.3104 0.1960 0.5222 0.3093 0.3381 0.2935 0.6048 0.3553 0.5270 0.1910 0.8322 0.3271 0.5246 1.2024 0.6050 1.0652 1.4794 0.3391 0.3954 0.6692 0.7565 1.5000 0.6555 1.2603 0.6823 0.9895 0.8814 0.7404 1.0411 0.9754 2.2400 0.8553 2.9083 0.7854 1.0630 1.2671 1.9127 1.4636 1.7285 1.5836 1.3908 1.6880 1.3557 1.6532 1.4186 1.4065 1.3118 0.8868 0.9218 1.2406 1.1050 1.1895 2.7694 1.2106 1.1780 1.1724 1.5958 1.0145 1.1132 2.2794 1.3558 1.3115 1.3052 1.6987 1.8084 1.5780 3.4212 1.3945 2.1194 1.6381 2.7771 1.3413 1.5664 1.3528 1.3834 1.3676 1.3421 1.3868 2.3199 1.4793 1.4195 10.4184 9.5822 13.3007 5.3296 5.4337 5.4576 5.4943 5.5070 5.4031 5.5920 5.5388 5.7335 5.7766 5.8818 5.9523 5.9964 6.0456 6.0405 6.1038 6.1070 6.0987 6.2963 6.4130 6.4917 6.5605 7.5830 7.8181 0.0083 0.2580 1.2688 0.6592 0.8636 0.0903 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