Gaussian 09 GINC-KIMIK2027 CBGUSER 000036107 EM64L-G09RevD.01 5-May-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 327.07479999999975 0 1 AuxInfo=1/0/N:15,9,7,10,11,21,19,8,12,13,14,20,22,18,17,16,2,1,6,3,5,4/CRV:6.3,7.3,12.3,13.3,14.3,15.3,16.3,19.1/rA:44ClClOOOO1CCCCCCCCCC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s3s7;s7;;s10;s5s10;s3;s4s13;s9;s4s6s11;s5;s1s17;s17;s18;s19;s2s20s21;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s15;s15;s15;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-3072.inp" -scrdir="/scratch/" chk=000036107.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 000036107 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 35 35 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 34.9688527 34.9688527 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 3 3 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 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 1 2 3 3 4 4 5 5 6 7 7 7 7 8 8 9 9 9 10 10 10 10 11 11 11 12 12 13 13 13 14 14 15 15 15 17 17 18 19 19 20 20 21 21 18 22 8 13 14 16 12 17 16 8 9 23 24 25 26 15 27 28 11 12 29 30 16 31 32 33 34 14 35 36 37 38 39 40 41 18 19 20 21 42 22 43 22 44 1.7252 1.721 1.4207 1.4225 1.4313 1.3663 1.4208 1.3709 1.2232 1.5221 1.526 1.0972 1.097 1.0963 1.0965 1.5203 1.0954 1.0963 1.5252 1.5216 1.097 1.0969 1.5117 1.0956 1.0961 1.0969 1.0962 1.5165 1.0955 1.0959 1.0952 1.0957 1.0946 1.0947 1.0945 1.3909 1.3912 1.3947 1.3947 1.0857 1.3949 1.088 1.3949 1.0871 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 8 14 12 8 8 8 9 9 23 3 3 3 7 7 25 7 7 7 15 15 27 11 11 11 12 12 29 10 10 10 16 16 31 5 5 5 10 10 33 3 3 3 14 14 35 4 4 4 13 13 37 9 9 9 39 39 40 4 4 6 5 5 18 1 1 17 17 17 21 18 18 22 19 19 22 2 2 20 3 4 5 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 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 13 16 17 9 23 24 23 24 24 7 25 26 25 26 26 15 27 28 27 28 28 12 29 30 29 30 30 16 31 32 31 32 32 10 33 34 33 34 34 14 35 36 35 36 36 13 37 38 37 38 38 39 40 41 40 41 41 6 11 11 18 19 19 17 20 20 21 42 42 22 43 43 22 44 44 20 21 21 111.4937 115.4975 116.8234 111.6706 109.2155 109.3999 110.2299 110.3433 105.8057 108.8515 109.5364 109.5885 110.0771 109.9325 108.8432 111.4999 109.9937 109.8119 109.3662 108.9646 107.0962 111.7025 111.0644 109.4561 109.4528 109.2996 105.6763 112.0165 110.7651 110.2983 108.3195 108.2398 107.031 108.8719 111.2452 109.0821 108.0518 110.0861 109.4915 109.0419 109.5928 109.0363 109.6885 110.2825 109.1833 109.0461 106.4329 111.8063 110.08 111.741 107.5864 111.0392 110.952 110.2551 108.3212 108.1055 108.0623 125.8937 108.8609 125.2454 120.9805 118.4714 120.5481 121.2302 119.0414 119.7284 119.7221 122.9246 117.3198 120.0031 120.0746 119.9221 120.0006 119.2286 120.7695 120.0388 119.9636 119.9976 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 13 13 13 8 8 8 16 16 16 14 14 17 17 17 12 12 9 9 9 23 23 23 24 24 24 8 8 8 23 23 23 24 24 24 7 7 7 27 27 27 28 28 28 12 12 12 29 29 29 30 30 30 11 11 11 29 29 29 30 30 30 10 10 31 31 32 32 3 3 3 35 35 35 36 36 36 5 5 19 19 5 5 18 18 1 1 17 17 17 17 42 42 18 18 43 43 19 19 44 44 3 3 3 3 3 3 4 4 4 4 4 5 5 5 5 5 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 13 13 13 13 13 13 13 13 13 17 17 17 17 17 17 17 17 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 8 8 8 13 13 13 14 14 14 16 16 12 12 12 17 17 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 15 15 15 15 15 15 15 15 15 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 16 16 16 16 16 16 14 14 14 14 14 14 14 14 14 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 22 22 22 22 7 25 26 14 35 36 13 37 38 6 11 10 33 34 18 19 3 25 26 3 25 26 3 25 26 15 27 28 15 27 28 15 27 28 39 40 41 39 40 41 39 40 41 16 31 32 16 31 32 16 31 32 5 33 34 5 33 34 5 33 34 4 6 4 6 4 6 4 37 38 4 37 38 4 37 38 1 20 1 20 21 42 21 42 22 43 22 43 22 44 22 44 2 21 2 21 2 20 2 20 179.9999 59.5987 -59.744 179.0337 -60.8891 58.5684 -90.0035 151.2781 34.0654 0.0112 -179.926 -149.1809 -30.2171 90.6672 149.9582 -29.9994 -179.3478 -59.2807 60.6089 -57.171 62.896 -177.2144 58.2044 178.2715 -61.8389 178.2343 -60.2599 57.3591 56.6422 178.148 -64.233 -59.8598 61.646 179.265 -60.191 60.3347 -179.9832 177.9397 -61.5346 58.1474 61.1781 -178.2961 -58.6141 -61.9803 176.9612 58.6525 60.5263 -60.5322 -178.8409 176.8309 55.7724 -62.5363 -179.3572 59.7001 -59.828 57.219 -63.7237 176.7482 -58.0776 -179.0203 61.4516 -61.0746 118.9877 61.3862 -118.5515 177.1055 -2.8322 -60.8773 55.536 175.0152 179.1046 -64.4821 54.9971 58.8194 175.2328 -65.288 0.0287 -179.9582 179.9854 -0.0014 179.9549 -2.2059 -0.0029 177.8363 -179.9761 -0.1072 0.011 179.8799 -0.0024 179.5845 -177.961 1.6259 179.9311 -0.0162 0.062 -179.8853 -179.9354 0.0119 0.4841 -179.5685 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 232 264 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 44 44 44 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= 17020 NPrTT= 83962 LenC2= 14721 LenP2D= 44692. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 280 RedAO= T EigKep= 4.81D-04 NBF= 280 NBsUse= 280 1.00D-06 EigRej= -1.00D+00 NBFU= 280 Using GEDIIS/GDIIS optimizer. local minimum Step number 19 out of a maximum of 232 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00132 0.00255 0.00386 0.00455 0.00500 0.00506 0.00596 0.00655 0.01466 0.01524 0.02118 0.02149 0.02154 0.02161 0.02162 0.02167 0.02179 0.02184 0.02204 0.02822 0.03040 0.03548 0.03634 0.03724 0.04157 0.04708 0.04904 0.04919 0.05019 0.05122 0.05411 0.05444 0.05501 0.05594 0.05623 0.05659 0.05799 0.05815 0.05924 0.06368 0.08150 0.08337 0.08348 0.09052 0.10949 0.11131 0.11276 0.11387 0.11765 0.12133 0.12197 0.12257 0.13215 0.13638 0.13734 0.14107 0.15776 0.15942 0.16004 0.16013 0.16030 0.16039 0.16138 0.18249 0.21765 0.21909 0.22062 0.22132 0.22394 0.22478 0.22785 0.24173 0.24344 0.24784 0.24986 0.25008 0.25111 0.26358 0.26709 0.28238 0.29705 0.29847 0.30169 0.30319 0.30458 0.30852 0.31128 0.32801 0.33154 0.33984 0.34001 0.34017 0.34033 0.34070 0.34095 0.34104 0.34120 0.34125 0.34137 0.34163 0.34189 0.34208 0.34223 0.34265 0.34309 0.34338 0.34395 0.34896 0.35038 0.35179 0.35787 0.39474 0.39929 0.41940 0.42320 0.42538 0.42614 0.43208 0.46476 0.47023 0.47570 0.49097 0.51725 0.56788 0.95735 2.41383 RFO step: Lambda=-1.72337794D-07. 1 2 3 0.00223538 0.00000328 0.00000000 0.00000132 0.00000017 0.00000017 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 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 3.42562 3.44383 2.78231 2.76220 2.81324 2.63465 2.79210 2.62849 2.37036 2.89295 2.92214 2.09234 2.09189 2.10495 2.10671 2.91730 2.09577 2.09699 2.93762 2.89157 2.08407 2.08781 2.87555 2.08767 2.08522 2.09469 2.09715 2.88674 2.10618 2.09892 2.07963 2.08808 2.09066 2.09011 2.08887 2.68662 2.68295 2.65486 2.66999 2.06560 2.66423 2.06487 2.65525 2.06620 1.97019 2.04492 2.05299 1.96197 1.89978 1.89848 1.91977 1.91747 1.86359 1.88044 1.91628 1.91663 1.93684 1.93117 1.88272 1.96108 1.90944 1.91315 1.90851 1.91025 1.85858 1.94560 1.91278 1.90684 1.90301 1.90801 1.88665 1.95019 1.89437 1.94375 1.90251 1.87993 1.89195 1.86301 1.89960 1.91320 1.93540 1.94401 1.90770 1.88467 1.93495 1.93822 1.88893 1.93347 1.88335 1.95355 1.80465 1.91041 1.93361 1.92064 1.93848 1.93787 1.93549 1.94261 1.87883 1.88277 1.88377 2.15445 1.92164 2.20658 2.04354 2.17782 2.06182 2.08335 2.07385 2.12594 2.10955 2.09941 2.07419 2.06718 2.10039 2.11561 2.07962 2.09929 2.10428 2.07369 2.08725 2.12225 -3.12871 1.04320 -1.02412 3.12131 -1.09535 0.99825 -1.28260 2.91861 0.85165 -0.12145 2.98753 -3.10309 -1.01322 1.07244 3.07270 -0.07036 3.09221 -1.09261 0.99679 -1.05965 1.03871 3.12811 0.96471 3.06307 -1.13071 3.11367 -1.04631 0.98563 0.99371 3.11693 -1.13432 -1.05285 1.07036 3.10231 -1.05676 1.03128 3.12869 3.10269 -1.09246 1.00495 1.07292 -3.12223 -1.02482 -1.01067 -3.10911 1.09265 1.09769 -1.00074 -3.08217 -3.12133 1.06342 -1.01801 -3.11271 1.10387 -1.02485 1.05641 -1.01020 -3.13892 -1.00273 -3.06934 1.08512 -1.06933 2.03844 1.02433 -2.15108 3.07366 -0.10175 -1.03572 0.96856 3.11907 -3.13142 -1.12714 1.02336 1.09028 3.09456 -1.03812 -0.01676 3.13499 3.12621 -0.00523 -3.13476 -0.00317 0.00535 3.13693 -3.12954 0.00808 0.00194 3.13957 -0.00225 3.13640 -3.13398 0.00468 -3.14110 0.00135 0.00450 -3.13624 3.14127 -0.00119 0.00262 -3.13984 0.00001 -0.00003 0.00000 0.00005 -0.00001 0.00002 -0.00001 0.00011 0.00015 0.00001 0.00001 0.00001 0.00001 0.00003 0.00002 0.00001 0.00003 0.00001 -0.00001 0.00003 0.00000 0.00001 0.00000 0.00001 0.00001 0.00000 0.00002 -0.00002 0.00002 0.00002 0.00000 0.00002 0.00002 0.00001 0.00001 0.00007 0.00000 -0.00001 -0.00002 0.00001 0.00000 0.00002 0.00002 0.00001 0.00000 0.00002 0.00000 0.00000 -0.00001 0.00001 0.00002 -0.00001 0.00000 -0.00001 0.00001 -0.00001 0.00001 0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00001 0.00001 0.00000 -0.00011 0.00001 0.00005 0.00004 0.00001 -0.00001 0.00001 -0.00001 0.00002 -0.00003 0.00000 0.00000 0.00001 0.00002 -0.00002 0.00001 -0.00001 0.00000 -0.00010 0.00002 0.00005 0.00004 -0.00002 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00002 0.00002 -0.00004 0.00005 -0.00001 0.00000 0.00002 -0.00002 0.00001 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0.00002 -0.00005 0.00001 0.00003 -0.00001 0.00002 0.00003 -0.00001 -0.00001 0.00006 -0.00005 -0.00004 -0.00005 0.00001 -0.00001 0.00001 0.00001 0.00000 -0.00009 -0.00007 0.00004 -0.00004 -0.00007 0.00004 0.00004 -0.00002 0.00005 0.00006 -0.00001 0.00001 -0.00003 0.00008 -0.00012 0.00004 -0.00006 0.00004 -0.00003 0.00002 -0.00001 0.00008 -0.00006 -0.00003 0.00002 -0.00008 0.00007 -0.00015 -0.00003 -0.00007 0.00004 0.00007 0.00015 0.00001 0.00015 0.00005 -0.00002 0.00000 -0.00017 0.00008 -0.00001 0.00002 -0.00008 0.00002 -0.00003 -0.00003 0.00008 -0.00004 0.00009 -0.00018 0.00010 0.00001 -0.00004 0.00001 -0.00002 -0.00002 0.00006 -0.00011 0.00005 0.00006 -0.00004 0.00001 0.00003 0.00001 0.00003 -0.00004 -0.00001 -0.00016 0.00017 0.00002 -0.00003 0.00002 0.00001 0.00002 -0.00003 0.00000 0.00001 -0.00001 0.00072 0.00072 0.00086 -0.00100 -0.00105 -0.00108 0.00061 0.00047 0.00033 0.00030 0.00020 0.00112 0.00118 0.00109 -0.00017 -0.00043 0.00052 0.00053 0.00042 0.00050 0.00052 0.00040 0.00054 0.00056 0.00044 0.00031 0.00025 0.00023 0.00039 0.00033 0.00031 0.00032 0.00026 0.00024 0.00044 0.00040 0.00045 0.00052 0.00047 0.00053 0.00054 0.00049 0.00055 -0.00013 -0.00006 -0.00019 -0.00009 -0.00002 -0.00016 -0.00006 0.00001 -0.00012 -0.00017 -0.00034 -0.00011 -0.00016 -0.00034 -0.00010 -0.00021 -0.00038 -0.00014 -0.00176 -0.00187 -0.00187 -0.00197 -0.00163 -0.00173 -0.00017 -0.00003 0.00003 -0.00015 -0.00002 0.00005 -0.00008 0.00005 0.00012 -0.00016 -0.00015 0.00009 0.00010 0.00014 0.00014 -0.00013 -0.00012 -0.00001 0.00000 -0.00002 -0.00001 0.00007 0.00004 0.00007 0.00003 0.00011 -0.00004 0.00010 -0.00005 -0.00014 0.00002 -0.00010 0.00005 -0.00005 -0.00012 0.00002 0.00015 0.00017 0.00002 0.00003 0.00018 0.00017 0.00002 0.00004 0.00004 0.00001 0.00009 0.00006 0.00007 0.00008 0.00002 0.00000 0.00011 0.00002 0.00003 0.00009 0.00002 0.00002 0.00001 0.00004 -0.00010 0.00007 0.00007 0.00001 0.00005 0.00005 0.00001 0.00003 0.00018 -0.00002 -0.00001 -0.00004 0.00004 0.00001 0.00007 0.00007 0.00003 0.00005 -0.00005 -0.00007 -0.00005 -0.00027 0.00028 0.00008 -0.00009 0.00006 0.00002 0.00011 -0.00001 -0.00011 0.00014 -0.00014 0.00001 0.00000 -0.00001 -0.00005 0.00000 0.00005 -0.00008 0.00003 0.00003 0.00007 -0.00008 0.00003 -0.00018 0.00011 -0.00002 -0.00001 -0.00007 0.00018 0.00017 0.00003 0.00012 -0.00006 -0.00011 -0.00013 -0.00003 0.00007 -0.00001 -0.00009 0.00016 -0.00010 0.00007 0.00000 -0.00013 -0.00003 -0.00003 0.00013 -0.00005 0.00001 0.00003 0.00000 0.00000 0.00001 -0.00008 0.00011 -0.00004 -0.00013 0.00011 0.00002 0.00004 0.00011 -0.00015 0.00003 -0.00017 0.00014 0.00019 -0.00017 -0.00002 0.00005 -0.00004 -0.00001 0.00006 0.00007 -0.00014 0.00137 0.00142 0.00154 -0.00151 -0.00160 -0.00168 0.00087 0.00088 0.00079 -0.00034 -0.00048 0.00102 0.00106 0.00099 0.00005 -0.00007 0.00268 0.00276 0.00260 0.00256 0.00264 0.00248 0.00263 0.00271 0.00255 0.00098 0.00092 0.00098 0.00129 0.00124 0.00130 0.00123 0.00117 0.00123 0.00103 0.00101 0.00104 0.00106 0.00104 0.00108 0.00103 0.00100 0.00104 0.00075 0.00079 0.00051 0.00080 0.00085 0.00057 0.00087 0.00092 0.00064 0.00004 -0.00005 0.00023 0.00001 -0.00009 0.00019 -0.00002 -0.00012 0.00016 -0.00185 -0.00200 -0.00183 -0.00198 -0.00166 -0.00181 -0.00110 -0.00108 -0.00096 -0.00111 -0.00109 -0.00097 -0.00103 -0.00101 -0.00089 0.00021 0.00016 0.00032 0.00027 -0.00012 -0.00016 -0.00024 -0.00028 -0.00014 -0.00010 -0.00009 -0.00004 0.00005 -0.00003 0.00009 0.00001 0.00008 -0.00012 0.00004 -0.00017 -0.00006 0.00014 0.00001 0.00022 3.42557 3.44371 2.78234 2.76236 2.81341 2.63467 2.79212 2.62867 2.37053 2.89297 2.92218 2.09238 2.09190 2.10504 2.10677 2.91737 2.09585 2.09701 2.93762 2.89168 2.08409 2.08784 2.87564 2.08769 2.08524 2.09470 2.09719 2.88664 2.10625 2.09900 2.07965 2.08812 2.09071 2.09012 2.08890 2.68680 2.68293 2.65484 2.66995 2.06564 2.66424 2.06494 2.65532 2.06623 1.97024 2.04487 2.05292 1.96192 1.89951 1.89876 1.91985 1.91738 1.86364 1.88046 1.91639 1.91661 1.93673 1.93131 1.88258 1.96109 1.90944 1.91314 1.90846 1.91025 1.85863 1.94552 1.91281 1.90687 1.90308 1.90793 1.88668 1.95001 1.89448 1.94373 1.90250 1.87986 1.89213 1.86318 1.89963 1.91332 1.93534 1.94390 1.90757 1.88464 1.93502 1.93822 1.88884 1.93363 1.88326 1.95363 1.80465 1.91028 1.93357 1.92061 1.93861 1.93782 1.93550 1.94264 1.87883 1.88277 1.88377 2.15437 1.92175 2.20654 2.04341 2.17793 2.06184 2.08339 2.07396 2.12579 2.10958 2.09924 2.07432 2.06736 2.10022 2.11559 2.07967 2.09925 2.10426 2.07376 2.08732 2.12211 -3.12734 1.04463 -1.02258 3.11980 -1.09696 0.99656 -1.28173 2.91949 0.85244 -0.12179 2.98705 -3.10207 -1.01215 1.07343 3.07276 -0.07043 3.09489 -1.08985 0.99939 -1.05709 1.04135 3.13059 0.96735 3.06579 -1.12816 3.11464 -1.04539 0.98661 0.99501 3.11816 -1.13302 -1.05162 1.07154 3.10354 -1.05572 1.03229 3.12973 3.10375 -1.09142 1.00602 1.07395 -3.12122 -1.02378 -1.00992 -3.10832 1.09316 1.09850 -0.99989 -3.08160 -3.12045 1.06434 -1.01737 -3.11266 1.10382 -1.02462 1.05642 -1.01029 -3.13873 -1.00275 -3.06946 1.08529 -1.07118 2.03644 1.02250 -2.15306 3.07200 -0.10356 -1.03682 0.96748 3.11811 -3.13254 -1.12824 1.02239 1.08925 3.09355 -1.03901 -0.01655 3.13515 3.12653 -0.00496 -3.13488 -0.00334 0.00510 3.13665 -3.12968 0.00798 0.00186 3.13952 -0.00221 3.13637 -3.13389 0.00469 -3.14102 0.00123 0.00453 -3.13640 3.14121 -0.00105 0.00263 -3.13962 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000150 0.000025 0.007434 0.002236 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -2.775210e-07 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 2 3 3 4 4 5 5 6 7 7 7 7 8 8 9 9 9 10 10 10 10 11 11 11 12 12 13 13 13 14 14 15 15 15 17 17 18 19 19 20 20 21 21 18 22 8 13 14 16 12 17 16 8 9 23 24 25 26 15 27 28 11 12 29 30 16 31 32 33 34 14 35 36 37 38 39 40 41 18 19 20 21 42 22 43 22 44 1.8128 1.8224 1.4723 1.4617 1.4887 1.3942 1.4775 1.3909 1.2543 1.5309 1.5463 1.1072 1.107 1.1139 1.1148 1.5438 1.109 1.1097 1.5545 1.5302 1.1028 1.1048 1.5217 1.1047 1.1035 1.1085 1.1098 1.5276 1.1145 1.1107 1.1005 1.105 1.1063 1.106 1.1054 1.4217 1.4198 1.4049 1.4129 1.0931 1.4098 1.0927 1.4051 1.0934 -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 = 0.0001|-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 = 0.0001|-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 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 8 14 12 8 8 8 9 9 23 3 3 3 7 7 25 7 7 7 15 15 27 11 11 11 12 12 29 10 10 10 16 16 31 5 5 5 10 10 33 3 3 3 14 14 35 4 4 4 13 13 37 9 9 9 39 39 40 4 4 6 5 5 18 1 1 17 17 17 21 18 18 22 19 19 22 2 2 20 3 4 5 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 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 13 16 17 9 23 24 23 24 24 7 25 26 25 26 26 15 27 28 27 28 28 12 29 30 29 30 30 16 31 32 31 32 32 10 33 34 33 34 34 14 35 36 35 36 36 13 37 38 37 38 38 39 40 41 40 41 41 6 11 11 18 19 19 17 20 20 21 42 42 22 43 43 22 44 44 20 21 21 112.8837 117.1653 117.6275 112.4123 108.8495 108.775 109.9949 109.8631 106.7756 107.7411 109.795 109.8147 110.9728 110.6478 107.8718 112.3618 109.4028 109.6153 109.3498 109.4492 106.4885 111.4747 109.5943 109.2538 109.0345 109.3209 108.0971 111.7377 108.5394 111.3689 109.0058 107.7121 108.4007 106.7429 108.8391 109.6182 110.89 111.3835 109.3029 107.9839 110.8644 111.0521 108.228 110.7795 107.9082 111.9303 103.3988 109.4583 110.7876 110.0446 111.0667 111.0317 110.8955 111.3035 107.6491 107.8745 107.9318 123.4407 110.1018 126.4278 117.0861 124.7801 118.1338 119.3669 118.8231 121.8075 120.8684 120.2871 118.8421 118.4405 120.3436 121.2155 119.1532 120.2803 120.5662 118.8137 119.5904 121.5959 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 = 0.0001|-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 = -0.0001|-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 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 13 8 8 8 16 16 16 14 14 17 17 17 12 12 9 9 9 23 23 23 24 24 24 8 8 8 23 23 23 24 24 24 7 7 7 27 27 27 28 28 28 12 12 12 29 29 29 30 30 30 11 11 11 29 29 29 30 30 30 10 10 31 31 32 32 3 3 3 35 35 35 36 36 36 5 5 19 19 5 5 18 18 1 1 17 17 17 17 42 42 18 18 43 43 19 19 44 3 3 3 3 3 3 4 4 4 4 4 5 5 5 5 5 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 13 13 13 13 13 13 13 13 13 17 17 17 17 17 17 17 17 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 8 8 8 13 13 13 14 14 14 16 16 12 12 12 17 17 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 15 15 15 15 15 15 15 15 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-123.248 176.1079 -5.83 -59.3423 55.4946 178.7094 -179.4174 -64.5806 58.6342 62.4686 177.3055 -59.4797 -0.9602 179.6219 179.1184 -0.2995 -179.6083 -0.1819 0.3065 179.7329 -179.3096 0.4628 0.1114 179.8839 -0.1292 179.7026 -179.5637 0.2681 -179.972 0.0772 0.2576 -179.6932 179.9815 -0.0681 0.1502 -DE/DX = 0.0|-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 = 0.0001|-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|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 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 0 327.07479999999975 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2.0652 -148.1509 -138.7025 -149.5211 1.7284 -3.6265 -3.1008 -2.6927 6.7557 -4.0629 1.7284 -3.6265 -3.1008 -173.1587 12.4701 -15.9043 -75.1105 25.6337 45.2843 -45.3321 5.1031 -22.4692 26.3834 -7130.3427 -3124.9036 -1726.7661 -38.6442 -2.9245 37.8243 -0.8060 15.1130 19.2348 -1662.8020 -1561.9033 -810.7726 -107.6413 22.2041 -16.9744 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 0 327.07479999999975 AuxInfo=1/0/N:15,9,7,10,11,21,19,8,12,13,14,20,22,18,17,16,2,1,6,3,5,4/CRV:6.3,7.3,12.3,13.3,14.3,15.3,16.3,19.1/rA:44ClClOOOO1CCCCCCCCCC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s3s7;s7;;s10;s5s10;s3;s4s13;s9;s4s6s11;s5;s1s17;s17;s18;s19;s2s20s21;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s15;s15;s15;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 5.553548 0.000000 6.052386 7.936904 0.000000 7.049454 9.729310 2.882305 0.000000 2.963838 6.036279 4.282987 4.608088 0.000000 7.898663 9.516540 4.122792 2.333362 5.019651 0.000000 4.727271 6.373218 2.425908 5.046710 4.158262 6.181502 0.000000 5.733214 6.781758 1.472336 4.244831 4.353335 5.065124 1.530885 0.000000 4.823406 5.330768 3.822919 6.482911 4.838862 7.345014 1.546330 2.557316 0.000000 4.977068 8.325673 4.186605 2.936046 2.413916 3.534950 5.228304 4.993628 6.385263 0.000000 6.520103 9.433312 4.566529 2.391141 3.815940 2.481062 6.168545 5.595150 7.414259 1.554519 0.000000 4.431150 6.911512 3.875146 3.533228 1.477513 3.590079 4.564784 4.269519 5.476668 1.530151 2.549411 0.000000 7.234641 8.669789 1.461695 2.499695 5.045499 3.205504 3.761963 2.445010 4.997029 4.501705 4.392539 4.236377 0.000000 7.801285 9.908309 2.418454 1.488700 5.488815 2.782700 4.835728 3.764501 6.233038 4.253361 3.778943 4.498687 1.527600 0.000000 4.418807 5.468704 4.992642 7.497068 5.349467 8.566202 2.567251 3.932505 1.543769 7.074504 8.284107 6.284419 6.306878 7.396535 0.000000 7.135577 9.471817 3.689706 1.394195 4.365943 1.254339 5.697851 4.812496 6.988843 2.546403 1.521675 3.009965 3.132829 2.460736 8.061587 0.000000 2.799118 4.648216 4.678609 5.593628 1.390936 5.754621 4.023688 4.297655 4.259463 3.720905 4.989744 2.454336 5.472363 6.231481 4.767383 5.327285 0.000000 1.812762 4.094649 5.508323 6.720313 2.399323 7.118500 4.245911 4.942369 4.133364 4.802725 6.206193 3.746855 6.514364 7.321373 4.185113 6.609135 1.421699 0.000000 4.110962 4.111494 4.851229 5.874907 2.490655 5.548424 4.385365 4.282812 4.431270 4.392119 5.351152 2.890804 5.369039 6.314288 5.236817 5.435397 1.419756 2.437310 0.000000 2.777663 2.790238 6.352474 7.869132 3.705512 8.105096 4.791343 5.507331 4.210612 6.115583 7.449055 4.922910 7.330006 8.316473 4.145443 7.735879 2.469899 1.404890 2.832235 0.000000 4.628018 2.797197 5.788147 7.158092 3.765543 6.758792 4.914538 4.917737 4.500987 5.799072 6.751004 4.303193 6.326628 7.440621 5.208321 6.755535 2.463815 2.815351 1.412897 2.457182 0.000000 4.086650 1.822397 6.457848 8.039606 4.214391 7.927540 5.087473 5.479777 4.385583 6.512354 7.660908 5.122549 7.228244 8.349812 4.685302 7.777212 2.825832 2.418258 2.429981 1.409849 1.405100 0.000000 5.277530 7.335631 2.662633 5.239511 4.936937 6.693077 1.107220 2.159817 2.188138 5.731040 6.620330 5.317673 4.036804 4.928942 2.794893 6.114681 4.974673 5.106066 5.454881 5.691195 6.007856 6.104192 0.000000 3.762639 6.234965 2.616584 4.735031 3.203842 5.924460 1.106983 2.158676 2.186268 4.393991 5.511401 3.790021 3.995592 4.859243 2.819469 5.294409 3.233383 3.449936 3.893334 4.245686 4.614897 4.751948 1.777320 0.000000 6.718913 7.245281 2.125873 4.902207 5.452567 5.641336 2.192044 1.113892 2.846582 6.024228 6.487753 5.315938 2.708748 4.107279 4.264480 5.535031 5.308937 5.891779 5.143827 6.297480 5.596353 6.146730 2.511108 3.094983 0.000000 5.596917 6.045583 2.126827 4.425193 3.954728 4.744453 2.188618 1.114822 2.798263 4.810153 5.399046 3.803702 2.700893 4.089951 4.247292 4.665020 3.697659 4.497647 3.389510 4.974128 3.988690 4.733180 3.094922 2.540641 1.801600 0.000000 4.595963 4.335665 4.124465 6.599747 4.444182 7.134896 2.181862 2.802971 1.109035 6.217360 7.253018 5.098670 5.144251 6.444614 2.178928 6.885896 3.611475 3.532231 3.553472 3.430406 3.445060 3.373902 3.100392 2.526109 3.209468 2.584231 0.000000 5.926492 5.795158 4.141177 6.963096 5.823545 7.764114 2.185089 2.779215 1.109681 7.226835 8.123305 6.312932 5.152942 6.482420 2.180696 7.522765 5.228186 5.172306 5.202691 5.118012 5.144172 5.096130 2.556156 3.101345 2.612506 3.097354 1.777622 0.000000 4.788818 8.533794 3.650253 2.645404 2.645503 3.953233 4.650204 4.570278 5.933421 1.102843 2.186929 2.158321 4.196990 3.896057 6.537064 2.815824 3.955117 4.857131 4.785046 6.198971 6.145329 6.727019 4.980665 3.813503 5.589181 4.630139 5.951908 6.767046 0.000000 4.824576 8.564633 5.210577 3.936825 2.624919 4.446369 5.997380 5.940769 7.062862 1.104823 2.183998 2.163483 5.601894 5.312836 7.582346 3.492289 3.961657 4.881260 4.789108 6.229392 6.159995 6.752644 6.493196 5.055852 7.005161 5.733913 6.857449 7.983427 1.787139 0.000000 7.051188 10.401106 5.141488 2.637495 4.585947 3.187939 6.801957 6.312170 8.135826 2.174646 1.104748 3.490974 4.990287 4.090218 8.916892 2.151950 5.860481 6.976854 6.359072 8.281620 7.768318 8.606202 7.110353 6.123517 7.180498 6.261017 8.079501 8.850829 2.486048 2.505334 0.000000 6.959601 9.500475 5.394539 3.320341 4.166179 2.604666 6.929640 6.292637 8.062066 2.210016 1.103450 2.840955 5.094737 4.581905 8.967613 2.134191 5.220688 6.498032 5.413322 7.673539 6.775349 7.770662 7.488635 6.268851 7.174673 5.927746 7.767793 8.773940 3.111145 2.530794 1.790997 0.000000 4.902996 6.820638 2.961355 3.062336 2.114107 3.101396 3.900159 3.329552 4.869296 2.186240 2.835299 1.108464 3.226886 3.720163 5.888049 2.692580 2.720983 4.036454 2.831659 5.070475 4.168242 5.100474 4.680588 3.340470 4.319631 2.829366 4.529532 5.580078 2.496572 3.092200 3.819388 3.249019 0.000000 4.991782 6.872311 4.763760 4.219043 2.125011 3.657784 5.467356 5.061855 6.226835 2.193450 2.806695 1.109763 4.907515 5.174258 7.072600 3.361050 2.757818 4.104897 2.836155 5.140132 4.189215 5.150535 6.300702 4.746997 6.049902 4.412690 5.692329 7.031267 3.094177 2.537809 3.818109 2.648274 1.809292 0.000000 8.086511 9.118545 2.130541 3.444876 6.051555 4.010276 4.134278 2.746270 5.225441 5.615832 5.454236 5.304717 1.114542 2.154273 6.589745 4.114062 6.347740 7.318827 6.134412 8.009752 6.935904 7.819815 4.281568 4.619147 2.535307 3.114765 5.455423 5.142976 5.278644 6.715468 6.009699 6.124723 4.259210 5.937339 0.000000 7.171892 8.140583 2.129928 2.792570 4.746867 2.653206 4.101664 2.703968 5.152434 4.326148 4.154167 3.800673 1.110703 2.184288 6.540026 2.900117 5.056378 6.227022 4.723389 6.979797 5.668170 6.717011 4.628077 4.249071 3.058916 2.480769 5.058559 5.351362 4.291371 5.413237 4.937068 4.649119 2.740052 4.265048 1.799215 0.000000 8.044315 10.494660 2.642955 2.046118 6.016164 3.812163 4.911111 4.043935 6.375249 4.783334 4.433652 5.194609 2.176677 1.100495 7.414607 3.307613 6.807515 7.765507 7.042013 8.786032 8.151406 8.940989 4.755035 4.983893 4.296469 4.621018 6.763297 6.587743 4.200117 5.782932 4.537937 5.352662 4.481880 5.990591 2.526372 3.101251 0.000000 8.769805 10.583545 3.384429 2.129110 6.297377 2.585355 5.806830 4.598951 7.132783 4.914593 4.129640 5.155171 2.170620 1.104962 8.373605 2.671721 7.013430 8.187576 6.944674 9.147494 8.047659 9.065375 5.937468 5.880389 4.806536 4.796613 7.277417 7.303513 4.727551 5.951096 4.407777 4.756993 4.382601 5.658216 2.477713 2.520469 1.818304 0.000000 5.046208 6.556242 5.157435 7.683098 6.025061 8.989707 2.838241 4.251121 2.198426 7.511917 8.682840 6.901723 6.515348 7.505914 1.106330 8.414358 5.632296 5.089171 6.189426 5.175946 6.265824 5.782024 2.613573 3.197452 4.458587 4.806996 3.106253 2.542969 6.837560 8.039381 9.214562 9.460896 6.479315 7.781808 6.716440 6.920295 7.361732 8.510077 0.000000 3.367637 5.314560 5.131165 7.338759 4.686777 8.437700 2.824542 4.257663 2.196483 6.527145 7.856299 5.794459 6.496943 7.459371 1.106040 7.833697 4.160439 3.395589 4.875457 3.510189 4.961811 4.338728 3.137390 2.625288 4.827628 4.485276 2.546285 3.106488 6.011699 6.902482 8.457205 8.518464 5.584360 6.581119 6.949629 6.685439 7.505208 8.474581 1.785855 0.000000 4.934938 5.020620 5.939884 8.491679 6.088015 9.411862 3.531335 4.751588 2.201143 7.981736 9.205083 7.075744 7.181389 8.356666 1.105381 8.983426 5.308456 4.576129 5.631535 4.187821 5.322884 4.608017 3.817602 3.828478 4.965918 4.927357 2.519757 2.528819 7.519698 8.455580 9.888836 9.824276 6.691111 7.768333 7.402120 7.330578 8.420606 9.295829 1.787888 1.788304 0.000000 4.983772 4.960773 4.634182 5.330443 2.771580 4.660276 4.711544 4.254989 4.973247 4.091954 4.766698 2.572072 4.861828 5.747461 5.979452 4.721279 2.185372 3.436049 1.093069 3.925174 2.163585 3.414858 5.760319 4.297156 5.074197 3.274978 4.157327 5.635255 4.623307 4.610835 5.836621 4.723481 2.360266 2.303714 5.640176 4.062382 6.591080 6.245783 6.867881 5.707540 6.444458 0.000000 2.903450 2.930297 7.146356 8.758935 4.571238 9.132824 5.350647 6.260622 4.608836 6.973559 8.371951 5.883950 8.219917 9.202329 4.180569 8.704687 3.457063 2.172255 3.924901 1.092683 3.449497 2.185955 6.133999 4.834173 6.999100 5.840362 3.962188 5.486641 6.974906 7.012408 9.147305 8.634143 6.065675 6.146897 8.866601 7.946772 9.594113 10.078296 5.155060 3.485546 4.039901 5.017854 0.000000 5.721380 2.932441 6.249584 7.611930 4.663309 6.934295 5.553061 5.329622 5.077728 6.484635 7.256040 4.956356 6.589934 7.771450 5.928002 7.122983 3.453734 3.908728 2.179377 3.446489 1.093386 2.175393 6.655626 5.408177 5.858315 4.306036 3.989774 5.535731 6.898626 6.909611 8.319780 7.187852 4.701843 4.703926 7.094280 5.820547 8.554786 8.260728 6.981153 5.829390 5.956192 2.491549 4.352128 0.000000 0.3127738 0.1262856 0.1167144 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= 261 261 261 261 261 MxSgAt= 44 MxSgA2= 44. 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 44 44 44 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 44 44 44 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 44 44 44 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 44 44 44 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 44 44 44 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 44 44 44 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 44 44 44 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 44 44 44 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 44 44 44 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 44 44 44 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 44 44 44 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 44 44 44 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 44 44 44 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 44 44 44 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 44 44 44 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 44 44 44 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 44 44 44 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 44 44 44 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= 17020 NPrTT= 83962 LenC2= 14602 LenP2D= 44358. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 280 RedAO= T EigKep= 5.78D-04 NBF= 280 NBsUse= 280 1.00D-06 EigRej= -1.00D+00 NBFU= 280 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= 264 264 264 264 264 MxSgAt= 44 MxSgA2= 44. 1 Closed 1 0 1 -1842.05117519271 -1842.10917614863 -0.058000955915 -1842.38812097628 -0.278944827658 -1841.12623877432 1.261882201962 -1842.35643634688 -1.230197572559 -1842.51202848443 -0.155592137554 -1842.51231394992 -0.000285465483 -1842.51271721539 -0.000403265468 -1842.51276052395 -0.000043308568 -1842.51281187358 -0.000051349624 -1842.51281146033 0.000000413251 -1842.51281237083 -0.000000910506 -1842.51281265383 -0.000000282993 -1842.51281275052 -0.000000096693 -1842.51281275416 -0.000000003639 -1842.51281275424 -0.000000000087 -1842.51281275430 -0.000000000060 -1842.51281275432 -0.000000000011 -1842.51281275 18 1.837135286256e+03 -8.700811426941e+03 2.840658715852e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=785188548. IVT= 257198 IEndB= 257198 NGot= 939524096 MDV= 165429429 LenX= 165429429 LenY= 165350588 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= 39340 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. -5.66467649e-01 3.02404952e-01 -4.97864775e-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 17 17 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 -0.001622786 0.006605179 0.039132795 0.036979032 0.011403737 -0.024621316 -0.012954829 0.001919403 0.025875612 -0.005856625 -0.000180001 0.015769607 0.012130930 0.004643386 0.033259597 -0.008338246 -0.000799533 -0.045013446 -0.003506624 -0.001097750 -0.002362404 0.015805972 0.003263521 0.006516553 -0.001742722 0.000763641 0.001573866 0.005160617 -0.002031320 0.013622531 -0.004410163 -0.004614536 -0.003140766 -0.025295783 -0.000828122 -0.003801984 -0.010306842 -0.001727643 -0.006172105 0.003308405 0.027091113 -0.007949538 0.005987455 0.000458264 0.000778220 0.002369719 -0.021105314 0.037968310 -0.018087402 -0.008734107 -0.004085149 0.009395609 -0.002001552 -0.019526370 0.010676632 -0.000372720 -0.020098469 0.009976172 0.003990464 0.003545806 -0.001662029 -0.002607111 -0.012300130 -0.025326265 -0.007664676 0.014975396 -0.002474705 0.006141259 0.002008329 -0.000010420 -0.006056718 0.003127979 0.002678104 0.008440521 -0.009389468 0.005812150 -0.008504593 -0.007713493 0.002306911 -0.006418852 -0.004861228 -0.000125911 0.005268383 -0.006580581 0.000519103 0.005281583 -0.000604731 -0.000319194 -0.005423706 0.003453091 -0.002203543 0.001957005 0.006030667 -0.001609695 -0.004071904 -0.003780508 0.002918212 0.003601317 -0.007174720 -0.003576968 -0.006547968 -0.006600098 -0.002189469 0.007254907 -0.010672262 0.000396270 -0.008197950 -0.009571875 0.001032606 0.003099209 0.005384993 -0.001412224 -0.004356061 -0.006310642 -0.001805386 0.005559345 0.004169614 0.000117499 -0.004826058 0.005604156 0.007763045 0.001746826 0.000135984 -0.005273464 -0.001711869 0.001662741 0.002963066 0.001800630 0.002826737 0.001813787 -0.000409630 -0.005091304 0.045013446 0.011183136 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 0 1 -1842.54119120982 -1842.54126063808 -0.000069428260 -1842.54125815906 0.000002479017 -1842.54144030866 -0.000182149595 -1842.54144034588 -0.000000037217 -1842.54144042855 -0.000000082678 -1842.54144090245 -0.000000473893 -1842.54144095348 -0.000000051033 -1842.54144095461 -0.000000001131 -1842.54144095477 -0.000000000163 -1842.54144095473 0.000000000040 -1842.54144095 11 1.835473579271e+03 -8.628787070888e+03 2.805822196166e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=785188548. IVT= 257198 IEndB= 257198 NGot= 939524096 MDV= 165429429 LenX= 165429429 LenY= 165350588 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= 39340 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. (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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 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 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 V V V V V V V V V V -100.710349 -100.709438 -18.811470 -18.809090 -18.768791 -18.766646 -10.036526 -9.991425 -9.979081 -9.976247 -9.967089 -9.965565 -9.956420 -9.943068 -9.937521 -9.934525 -9.933310 -9.926048 -9.915335 -9.890752 -9.887626 -9.876768 -9.189145 -9.188419 -7.015251 -7.014296 -7.001238 -7.000413 -7.000324 -7.000116 -1.015130 -0.988866 -0.941738 -0.932274 -0.828978 -0.794989 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0.278644 0.282741 0.286169 0.301824 0.303950 0.310585 0.313179 0.319215 0.322706 0.331241 0.332631 0.339525 0.343283 0.349449 0.353175 0.358592 0.364789 0.372061 0.380585 0.384690 0.390290 0.395736 0.401987 0.404089 0.413970 0.418423 0.425079 0.436430 0.442496 0.448899 0.452739 0.467422 0.472575 0.479444 0.483358 0.495194 0.500189 0.507234 0.513692 0.520937 0.533227 0.543103 0.547841 0.560114 0.594870 0.598820 0.612875 0.624015 0.660149 0.669965 0.673029 0.685138 0.694107 0.723836 0.731486 0.750709 0.754892 0.781970 0.793406 0.805375 0.812989 0.829482 0.857889 0.862422 0.869609 0.882994 0.892622 0.914330 0.927808 0.933943 0.940981 0.948437 0.961160 0.975896 0.981580 0.984360 1.000908 1.015077 1.028996 1.036859 1.047380 1.054455 1.058683 1.085051 1.098668 1.100591 1.115754 1.121295 1.124897 1.137780 1.155067 1.162574 1.177990 1.181819 1.200886 1.214661 1.229635 1.235016 1.245331 1.269878 1.309819 1.332318 1.344048 1.394470 1.413857 1.469207 1.678821 1.730594 1.782698 1.817844 5.868723 5.880919 5.896123 5.901869 5.908903 5.913148 8.774198 8.864584 22.240529 22.394996 22.470480 22.493082 22.515543 22.520395 22.558141 22.572605 22.594954 22.603543 22.623683 22.645067 22.650199 22.667581 22.675285 22.754790 41.508607 41.528345 41.543033 41.561948 217.668983 217.775929 137.016894 137.016900 29.115525 29.115632 29.116974 29.117853 15.956991 15.956116 15.955304 15.956505 15.958276 15.958155 15.958525 15.959212 15.954053 15.954819 15.954695 15.956081 15.956977 15.959029 15.957118 15.957599 21.398443 21.398137 20.478946 20.478996 20.497740 20.498458 20.497734 20.497608 2.478301 2.524174 2.617123 2.681104 1.872964 2.563624 2.306188 1.600820 1.474650 1.622564 1.950232 1.892704 1.794927 1.638149 1.649408 1.555708 1.614030 1.591458 1.695004 1.253015 1.492826 1.639034 1.262850 1.364601 1.184809 1.655403 1.581000 1.463927 1.171529 1.337537 1.771560 1.324292 1.483868 1.605305 1.436668 1.247575 1.147717 1.577102 1.718895 1.465546 1.376360 1.436937 1.238946 1.500445 1.612837 1.429556 1.416655 1.842986 1.923154 1.777990 1.624250 1.268095 1.199927 2.400405 1.980874 2.378223 2.014978 2.277810 1.643805 2.410018 2.171865 1.947194 1.489080 2.273128 1.766035 2.676554 2.719338 1.905481 1.970123 1.563147 1.542528 1.704747 1.489269 1.284777 1.509294 1.223237 1.341718 1.313182 1.410848 1.516874 1.148673 1.433426 1.365000 1.361680 1.349596 1.298173 1.283261 1.586553 1.446968 1.352214 1.157243 1.361808 1.323944 1.278091 1.274422 1.463076 1.478204 1.167065 1.711413 1.353214 1.363412 1.969046 1.628785 1.444640 1.413519 1.464732 1.572049 1.245053 1.269688 1.645763 1.475032 1.418391 1.575060 1.378448 1.389830 1.614457 1.901757 1.693041 1.784074 1.609107 1.798221 1.646949 1.679547 1.781951 2.125590 2.029654 1.882998 2.187135 1.575889 2.126755 1.870511 1.971376 2.319697 2.004295 1.696754 2.018955 1.888337 1.963816 2.031147 1.952445 2.148987 1.901806 2.360937 2.289941 2.452480 2.256091 2.220939 2.529659 2.289781 2.177608 1.906088 2.731587 2.031408 2.213576 2.950131 1.917410 2.084114 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2S 37 H 1S 2S 38 H 1S 2S 39 H 1S 2S 40 H 1S 2S 41 H 1S 2S 42 H 1S 2S 43 H 1S 2S 44 H 1S 2S 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 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 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1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|22 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|23 H 1S|2S|24 H 1S|2S|25 H 1S|2S|26 H 1S|2S|27 H 1S|2S|28 H 1S|2S|29 H 1S|2S|30 H 1S|2S|31 H 1S|2S|32 H 1S|2S|33 H 1S|2S|34 H 1S|2S|35 H 1S|2S|36 H 1S|2S|37 H 1S|2S|38 H 1S|2S|39 H 1S|2S|40 H 1S|2S|41 H 1S|2S|42 H 1S|2S|43 H 1S|2S|44 H 1S|2S 0.74384 1.22401 0.97483 1.00989 1.09180 0.92667 1.80386 1.80217 1.78124 0.22698 0.22782 0.22901 0.94031 0.91084 0.64954 0.95612 0.97025 0.55138 0.74383 1.22402 0.97460 1.01036 1.08828 0.92843 1.78613 1.80264 1.79874 0.22858 0.22787 0.22759 0.71208 0.91602 0.87264 0.64596 0.98182 0.88326 1.13240 0.85936 0.94361 0.92497 0.95328 1.34894 1.10562 0.16896 0.46484 0.36759 1.13241 0.85927 0.95221 0.89741 1.25482 0.97289 1.18712 0.46611 0.13500 0.38030 1.13233 0.85932 0.94586 0.90910 0.95780 1.30403 1.16758 0.15265 0.45938 0.35860 1.13253 0.85915 0.97536 0.85691 1.01326 1.30910 1.05420 0.38062 0.44786 0.21794 1.17428 0.81421 0.72575 0.61988 0.85887 0.93386 0.87399 0.05490 0.20478 0.11514 1.17444 0.81415 0.74562 0.61254 0.73165 0.94374 0.89875 0.00826 0.20188 0.12955 1.17430 0.81430 0.72353 0.61149 0.85160 0.91911 0.88090 0.06889 0.17038 0.13134 1.17426 0.81421 0.72455 0.64435 0.82802 0.95800 0.88382 0.04672 0.21646 0.12609 1.17424 0.81419 0.72399 0.66995 0.88988 0.89147 0.90486 0.13259 0.15558 0.14345 1.17441 0.81410 0.74533 0.64970 0.73469 0.96943 0.88073 0.01281 0.18333 0.12983 1.17439 0.81420 0.74603 0.60002 0.80163 0.95972 0.83377 0.02111 0.20335 0.10122 1.17442 0.81410 0.74905 0.62142 0.93350 0.76197 0.89072 0.11873 0.10361 0.14626 1.17426 0.81436 0.72458 0.69035 0.89712 0.91996 0.88408 0.18793 0.23061 0.16851 1.17468 0.81390 0.80926 0.26316 0.71606 0.83531 0.87237 0.17312 0.04280 0.05367 1.17440 0.81400 0.77430 0.24903 0.81221 0.82832 0.90783 -0.15321 0.18078 -0.09356 1.17442 0.81392 0.73681 0.73884 0.94062 0.85610 0.75713 0.06191 0.25958 -0.02836 1.17431 0.81415 0.74880 0.52104 0.93741 0.80310 0.89663 0.11089 0.28148 0.03544 1.17436 0.81404 0.75245 0.51677 0.93175 0.78691 0.90629 0.11558 0.21422 -0.01661 1.17437 0.81407 0.75072 0.53868 0.89320 0.77572 0.94908 -0.04720 0.22612 0.15505 1.17446 0.81402 0.74567 0.65881 0.79365 0.84910 0.90152 -0.04121 0.25278 -0.03129 0.51198 0.28172 0.51134 0.26462 0.51495 0.29485 0.51503 0.30177 0.51354 0.28334 0.51401 0.29752 0.50813 0.23222 0.51122 0.25823 0.50669 0.24823 0.50867 0.26118 0.51531 0.24273 0.51397 0.27457 0.51132 0.28974 0.51202 0.26442 0.51178 0.24794 0.50848 0.26839 0.51081 0.28094 0.51040 0.26501 0.51119 0.27486 0.51440 0.21891 0.50683 0.21122 0.51096 0.23058 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 Cl Cl 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 -0.020569 -0.052863 -0.269579 -0.237539 -0.246648 -0.246940 -0.375660 -0.260574 -0.345847 -0.416476 -0.500194 -0.294363 -0.255446 -0.313788 -0.691754 0.245674 0.505902 -0.310959 -0.323247 -0.195768 -0.229827 -0.117518 0.206294 0.224041 0.190201 0.183207 0.203121 0.188468 0.259651 0.230554 0.245079 0.230152 0.241958 0.211461 0.198937 0.223560 0.240281 0.223129 0.208250 0.224584 0.213949 0.266694 0.281950 0.258464 0.00000 -8.31940597e-01 3.83606648e-01 -5.65415636e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -2.1146 0.9750 -1.4371 2.7363 -152.1706 -138.8438 -149.7295 1.3361 -3.0639 -5.3098 -5.2559 8.0708 -2.8149 1.3361 -3.0639 -5.3098 -230.2405 28.4231 -51.1137 -96.4844 35.5195 39.1691 -56.6416 10.8110 -24.8138 26.1856 -8485.3938 -2766.7633 -1707.7620 312.9621 -6.6855 380.2572 60.2412 -85.6423 97.4861 -1798.3517 -1759.8109 -748.1768 -99.9454 4.4053 103.0696 0 -1842.541441 9.313E-9 3.349E-5 -3.9076559,6.0004586,-2.0928027,0.9933308,-2.2779396,-3.9476899 C01 [X(C16H22Cl2O4)] -0.8319406 0.3836066 -0.5654156 @ -0.000006286 0.000002105 0.000016185 -0.000021762 -0.000005288 0.000018860 0.000033787 0.000037861 0.000033788 -0.000022544 0.000024863 -0.000014109 -0.000081273 0.000013050 0.000079026 -0.000028413 -0.000005634 -0.000149748 -0.000000240 -0.000009962 0.000014003 -0.000013101 -0.000017698 0.000041967 -0.000013180 0.000020677 -0.000000410 -0.000039030 0.000012574 0.000010623 0.000000827 -0.000021959 0.000022038 0.000066561 -0.000002607 0.000023175 -0.000057784 -0.000038873 -0.000003869 0.000013177 0.000036568 0.000030637 0.000013826 -0.000020666 -0.000000981 0.000066041 -0.000025397 0.000130228 -0.000003317 -0.000000713 -0.000146215 0.000079600 0.000006663 0.000073534 0.000063563 0.000000580 -0.000026545 -0.000065971 -0.000006425 -0.000039357 -0.000043257 0.000000187 0.000036327 0.000080311 0.000018886 -0.000018455 -0.000021427 0.000008641 -0.000004900 0.000016348 -0.000005785 0.000003426 0.000018288 0.000015774 -0.000030052 -0.000003039 -0.000010881 -0.000027870 0.000003109 -0.000027927 -0.000008231 0.000006340 0.000003678 -0.000004502 -0.000004107 0.000002452 -0.000002149 0.000004657 -0.000011827 -0.000005996 -0.000011591 0.000014105 0.000006610 -0.000001382 -0.000002054 -0.000010871 -0.000010805 -0.000004476 -0.000008548 -0.000020717 -0.000009173 -0.000013569 -0.000014989 0.000011708 -0.000016326 0.000017856 -0.000011231 -0.000024294 0.000009251 0.000001407 -0.000001185 -0.000002066 -0.000012330 -0.000029564 -0.000010182 0.000012298 0.000012006 -0.000001329 -0.000006796 0.000001476 0.000006496 0.000010039 -0.000000960 -0.000017928 -0.000000900 0.000017462 0.000011397 0.000007406 0.000022693 0.000004288 -0.000002917 -0.000005357 327.07479999999975 AuxInfo=1/0/N:15,9,7,10,11,21,19,8,12,13,14,20,22,18,17,16,2,1,6,3,5,4/CRV:6.3,7.3,12.3,13.3,14.3,15.3,16.3,19.1/rA:44ClClOOOO1CCCCCCCCCC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s3s7;s7;;s10;s5s10;s3;s4s13;s9;s4s6s11;s5;s1s17;s17;s18;s19;s2s20s21;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s15;s15;s15;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2027 CBGUSER 000036107 EM64L-G09RevD.01 5-May-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 126 C1[X(C16H22Cl2O4)] RPBEPBE SDD Freq #p freq=noraman PBEPBE/SDD 327.07479999999975 0 1 AuxInfo=1/0/N:15,9,7,10,11,21,19,8,12,13,14,20,22,18,17,16,2,1,6,3,5,4/CRV:6.3,7.3,12.3,13.3,14.3,15.3,16.3,19.1/rA:44ClClOOOO1CCCCCCCCCC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s3s7;s7;;s10;s5s10;s3;s4s13;s9;s4s6s11;s5;s1s17;s17;s18;s19;s2s20s21;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s15;s15;s15;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-4132.inp" -scrdir="/scratch/" chk=000036107-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 000036107 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 35 35 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 34.9688527 34.9688527 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 3 3 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 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| 0.000173 0.000057 0.100247 0.025906 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -2.415675e-05 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 2144.9498058945 280 640 280 92 92 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 44 44 44 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 0 327.07479999999975 AuxInfo=1/0/N:15,9,7,10,11,21,19,8,12,13,14,20,22,18,17,16,2,1,6,3,5,4/CRV:6.3,7.3,12.3,13.3,14.3,15.3,16.3,19.1/rA:44ClClOOOO1CCCCCCCCCC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s3s7;s7;;s10;s5s10;s3;s4s13;s9;s4s6s11;s5;s1s17;s17;s18;s19;s2s20s21;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s15;s15;s15;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 5.553549 0.000000 6.052386 7.936904 0.000000 7.049454 9.729310 2.882304 0.000000 2.963838 6.036279 4.282986 4.608087 0.000000 7.898663 9.516540 4.122792 2.333362 5.019650 0.000000 4.727272 6.373219 2.425907 5.046709 4.158261 6.181501 0.000000 5.733214 6.781758 1.472336 4.244831 4.353335 5.065124 1.530884 0.000000 4.823407 5.330769 3.822918 6.482910 4.838861 7.345014 1.546330 2.557316 0.000000 4.977068 8.325673 4.186605 2.936046 2.413915 3.534950 5.228305 4.993628 6.385263 0.000000 6.520103 9.433313 4.566529 2.391142 3.815941 2.481062 6.168546 5.595151 7.414259 1.554520 0.000000 4.431150 6.911513 3.875146 3.533228 1.477514 3.590078 4.564784 4.269519 5.476667 1.530151 2.549411 0.000000 7.234641 8.669789 1.461696 2.499695 5.045499 3.205504 3.761962 2.445010 4.997029 4.501705 4.392540 4.236377 0.000000 7.801286 9.908309 2.418454 1.488701 5.488814 2.782700 4.835727 3.764501 6.233038 4.253362 3.778944 4.498687 1.527599 0.000000 4.418807 5.468704 4.992643 7.497068 5.349467 8.566203 2.567252 3.932505 1.543770 7.074504 8.284107 6.284419 6.306879 7.396535 0.000000 7.135577 9.471818 3.689706 1.394196 4.365943 1.254339 5.697851 4.812497 6.988843 2.546404 1.521675 3.009965 3.132829 2.460736 8.061588 0.000000 2.799117 4.648216 4.678609 5.593629 1.390936 5.754621 4.023689 4.297656 4.259464 3.720905 4.989744 2.454336 5.472364 6.231482 4.767384 5.327285 0.000000 1.812762 4.094649 5.508323 6.720313 2.399323 7.118500 4.245911 4.942369 4.133364 4.802725 6.206193 3.746855 6.514364 7.321373 4.185113 6.609135 1.421699 0.000000 4.110962 4.111494 4.851228 5.874907 2.490655 5.548424 4.385365 4.282812 4.431270 4.392118 5.351152 2.890804 5.369038 6.314288 5.236818 5.435397 1.419756 2.437310 0.000000 2.777663 2.790238 6.352474 7.869132 3.705512 8.105096 4.791343 5.507332 4.210613 6.115583 7.449055 4.922910 7.330006 8.316473 4.145443 7.735880 2.469898 1.404890 2.832235 0.000000 4.628018 2.797197 5.788146 7.158092 3.765543 6.758792 4.914537 4.917737 4.500987 5.799071 6.751004 4.303193 6.326627 7.440621 5.208321 6.755535 2.463815 2.815351 1.412897 2.457182 0.000000 4.086650 1.822397 6.457848 8.039606 4.214391 7.927540 5.087474 5.479777 4.385584 6.512354 7.660908 5.122550 7.228244 8.349812 4.685303 7.777212 2.825832 2.418259 2.429982 1.409849 1.405100 0.000000 5.277530 7.335632 2.662633 5.239511 4.936937 6.693078 1.107220 2.159818 2.188138 5.731041 6.620331 5.317673 4.036805 4.928942 2.794893 6.114681 4.974674 5.106066 5.454881 5.691195 6.007856 6.104193 0.000000 3.762640 6.234965 2.616583 4.735031 3.203841 5.924460 1.106983 2.158676 2.186268 4.393991 5.511401 3.790021 3.995592 4.859242 2.819470 5.294409 3.233383 3.449936 3.893333 4.245686 4.614897 4.751949 1.777320 0.000000 6.718914 7.245281 2.125873 4.902207 5.452567 5.641336 2.192044 1.113891 2.846582 6.024228 6.487754 5.315938 2.708749 4.107279 4.264480 5.535031 5.308938 5.891779 5.143826 6.297481 5.596353 6.146730 2.511108 3.094983 0.000000 5.596918 6.045583 2.126827 4.425193 3.954727 4.744453 2.188618 1.114822 2.798262 4.810153 5.399046 3.803701 2.700893 4.089951 4.247293 4.665020 3.697659 4.497647 3.389509 4.974128 3.988690 4.733180 3.094922 2.540641 1.801601 0.000000 4.595963 4.335665 4.124465 6.599747 4.444182 7.134896 2.181862 2.802970 1.109035 6.217360 7.253018 5.098669 5.144251 6.444613 2.178930 6.885896 3.611476 3.532231 3.553472 3.430406 3.445059 3.373902 3.100392 2.526109 3.209468 2.584230 0.000000 5.926492 5.795159 4.141177 6.963095 5.823544 7.764115 2.185089 2.779215 1.109681 7.226836 8.123306 6.312932 5.152943 6.482420 2.180696 7.522765 5.228186 5.172306 5.202691 5.118013 5.144172 5.096131 2.556155 3.101345 2.612506 3.097354 1.777623 0.000000 4.788818 8.533794 3.650253 2.645404 2.645503 3.953232 4.650203 4.570278 5.933421 1.102843 2.186929 2.158321 4.196990 3.896057 6.537064 2.815824 3.955117 4.857131 4.785045 6.198971 6.145328 6.727019 4.980665 3.813503 5.589181 4.630138 5.951907 6.767046 0.000000 4.824576 8.564633 5.210577 3.936826 2.624919 4.446369 5.997380 5.940770 7.062862 1.104823 2.183998 2.163484 5.601894 5.312837 7.582346 3.492290 3.961657 4.881260 4.789108 6.229392 6.159995 6.752645 6.493197 5.055852 7.005162 5.733914 6.857448 7.983427 1.787140 0.000000 7.051188 10.401106 5.141487 2.637495 4.585947 3.187938 6.801957 6.312170 8.135825 2.174646 1.104747 3.490974 4.990286 4.090218 8.916892 2.151950 5.860481 6.976854 6.359071 8.281620 7.768317 8.606203 7.110353 6.123517 7.180498 6.261016 8.079500 8.850829 2.486048 2.505334 0.000000 6.959601 9.500476 5.394539 3.320340 4.166179 2.604665 6.929640 6.292637 8.062065 2.210016 1.103450 2.840955 5.094736 4.581905 8.967614 2.134191 5.220688 6.498032 5.413322 7.673539 6.775349 7.770663 7.488636 6.268850 7.174673 5.927746 7.767793 8.773940 3.111146 2.530795 1.790997 0.000000 4.902996 6.820639 2.961354 3.062336 2.114107 3.101395 3.900159 3.329552 4.869296 2.186239 2.835299 1.108463 3.226885 3.720163 5.888049 2.692579 2.720984 4.036454 2.831659 5.070476 4.168242 5.100475 4.680588 3.340469 4.319631 2.829366 4.529532 5.580078 2.496572 3.092200 3.819387 3.249019 0.000000 4.991782 6.872311 4.763759 4.219043 2.125011 3.657784 5.467356 5.061855 6.226835 2.193449 2.806695 1.109763 4.907515 5.174258 7.072600 3.361050 2.757818 4.104897 2.836155 5.140132 4.189215 5.150535 6.300702 4.746997 6.049902 4.412690 5.692328 7.031267 3.094177 2.537809 3.818108 2.648274 1.809292 0.000000 8.086512 9.118546 2.130542 3.444876 6.051555 4.010277 4.134278 2.746270 5.225441 5.615833 5.454236 5.304717 1.114543 2.154273 6.589746 4.114062 6.347741 7.318827 6.134412 8.009753 6.935905 7.819816 4.281569 4.619147 2.535308 3.114766 5.455423 5.142976 5.278644 6.715469 6.009699 6.124723 4.259210 5.937340 0.000000 7.171893 8.140584 2.129929 2.792570 4.746867 2.653206 4.101665 2.703968 5.152434 4.326149 4.154168 3.800673 1.110703 2.184288 6.540028 2.900117 5.056379 6.227023 4.723389 6.979798 5.668170 6.717012 4.628078 4.249071 3.058916 2.480769 5.058559 5.351362 4.291371 5.413238 4.937068 4.649119 2.740052 4.265048 1.799215 0.000000 8.044315 10.494660 2.642955 2.046118 6.016163 3.812163 4.911110 4.043935 6.375249 4.783334 4.433652 5.194608 2.176677 1.100495 7.414607 3.307613 6.807515 7.765506 7.042013 8.786032 8.151405 8.940989 4.755036 4.983893 4.296469 4.621018 6.763296 6.587743 4.200117 5.782932 4.537936 5.352661 4.481880 5.990590 2.526372 3.101251 0.000000 8.769806 10.583545 3.384430 2.129110 6.297377 2.585356 5.806829 4.598951 7.132783 4.914594 4.129641 5.155171 2.170620 1.104962 8.373606 2.671721 7.013431 8.187576 6.944674 9.147494 8.047659 9.065376 5.937469 5.880389 4.806536 4.796614 7.277417 7.303513 4.727551 5.951097 4.407777 4.756993 4.382600 5.658216 2.477713 2.520468 1.818303 0.000000 5.046208 6.556242 5.157435 7.683098 6.025060 8.989707 2.838241 4.251121 2.198427 7.511917 8.682841 6.901723 6.515348 7.505914 1.106330 8.414358 5.632296 5.089171 6.189426 5.175946 6.265824 5.782024 2.613573 3.197452 4.458588 4.806996 3.106254 2.542969 6.837560 8.039381 9.214561 9.460896 6.479315 7.781808 6.716441 6.920296 7.361732 8.510077 0.000000 3.367637 5.314560 5.131165 7.338759 4.686777 8.437700 2.824543 4.257663 2.196483 6.527145 7.856299 5.794459 6.496943 7.459371 1.106040 7.833697 4.160439 3.395589 4.875456 3.510189 4.961811 4.338729 3.137390 2.625289 4.827628 4.485275 2.546286 3.106488 6.011698 6.902482 8.457204 8.518464 5.584360 6.581119 6.949630 6.685439 7.505208 8.474581 1.785855 0.000000 4.934938 5.020620 5.939884 8.491679 6.088015 9.411862 3.531335 4.751588 2.201143 7.981736 9.205083 7.075744 7.181390 8.356666 1.105381 8.983427 5.308456 4.576128 5.631535 4.187820 5.322884 4.608017 3.817602 3.828478 4.965919 4.927357 2.519758 2.528820 7.519698 8.455580 9.888836 9.824277 6.691112 7.768333 7.402121 7.330579 8.420606 9.295829 1.787888 1.788304 0.000000 4.983772 4.960773 4.634181 5.330442 2.771580 4.660275 4.711544 4.254989 4.973246 4.091953 4.766698 2.572071 4.861828 5.747461 5.979453 4.721278 2.185372 3.436049 1.093069 3.925174 2.163585 3.414859 5.760319 4.297155 5.074197 3.274977 4.157327 5.635255 4.623307 4.610835 5.836621 4.723481 2.360266 2.303714 5.640177 4.062382 6.591079 6.245783 6.867880 5.707540 6.444458 0.000000 2.903449 2.930298 7.146355 8.758934 4.571237 9.132824 5.350648 6.260622 4.608837 6.973558 8.371951 5.883950 8.219917 9.202328 4.180570 8.704687 3.457063 2.172254 3.924901 1.092683 3.449497 2.185956 6.134000 4.834173 6.999100 5.840362 3.962189 5.486642 6.974906 7.012407 9.147304 8.634143 6.065675 6.146897 8.866601 7.946772 9.594113 10.078296 5.155060 3.485546 4.039901 5.017854 0.000000 5.721379 2.932441 6.249584 7.611930 4.663309 6.934295 5.553061 5.329622 5.077728 6.484635 7.256041 4.956356 6.589934 7.771450 5.928002 7.122984 3.453734 3.908728 2.179378 3.446489 1.093386 2.175392 6.655626 5.408177 5.858315 4.306037 3.989774 5.535732 6.898626 6.909611 8.319780 7.187852 4.701844 4.703926 7.094281 5.820548 8.554786 8.260728 6.981153 5.829389 5.956192 2.491549 4.352128 0.000000 C16H22Cl2O4 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 0 327.07479999999975 AuxInfo=1/0/N:15,9,7,10,11,21,19,8,12,13,14,20,22,18,17,16,2,1,6,3,5,4/CRV:6.3,7.3,12.3,13.3,14.3,15.3,16.3,19.1/rA:44ClClOOOO1CCCCCCCCCC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s3s7;s7;;s10;s5s10;s3;s4s13;s9;s4s6s11;s5;s1s17;s17;s18;s19;s2s20s21;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s15;s15;s15;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3127738 0.1262856 0.1167144 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= 17020 NPrTT= 83962 LenC2= 14602 LenP2D= 44358. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 280 RedAO= T EigKep= 5.78D-04 NBF= 280 NBsUse= 280 1.00D-06 EigRej= -1.00D+00 NBFU= 280 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= 264 264 264 264 264 MxSgAt= 44 MxSgA2= 44. 1 Closed 1 0 1 -1842.11766849542 -1842.13242191875 -0.014753423336 -1842.38459130244 -0.252169383688 -1841.32439868756 1.060192614878 -1842.42550295790 -1.101104270339 -1842.53899277341 -0.113489815507 -1842.54095563018 -0.001962856778 -1842.54130786012 -0.000352229931 -1842.54136422009 -0.000056359976 -1842.54137059203 -0.000006371937 -1842.54145597141 -0.000085379382 -1842.54145600424 -0.000000032827 -1842.54145617936 -0.000000175119 -1842.54145654050 -0.000000361147 -1842.54145659307 -0.000000052567 -1842.54145659528 -0.000000002213 -1842.54145659575 -0.000000000470 -1842.54145659583 -0.000000000076 -1842.54145660 18 1.835473538003e+03 -8.628786940433e+03 2.805822139939e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep J ints in memory in canonical form, NReq=785189012. IVT= 257662 IEndB= 257662 NGot= 939524096 MDV= 165428965 LenX= 165428965 LenY= 165350124 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= 39340 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= 44. Will process 45 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111111111111111111111 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= 939523372 using IRadAn= 2. Generate precomputed XC quadrature information. Keep J ints in memory in canonical form, NReq=784944338. 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= 39340 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Solving linear equations simultaneously, MaxMat= 0. There are 135 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 132 vectors produced by pass 0 Test12= 1.73D-14 1.00D-09 XBig12= 3.46D+02 1.06D+01. AX will form 132 AO Fock derivatives at one time. 132 vectors produced by pass 1 Test12= 1.73D-14 1.00D-09 XBig12= 1.33D+02 2.97D+00. 132 vectors produced by pass 2 Test12= 1.73D-14 1.00D-09 XBig12= 6.17D-01 9.60D-02. 132 vectors produced by pass 3 Test12= 1.73D-14 1.00D-09 XBig12= 6.03D-04 3.38D-03. 83 vectors produced by pass 4 Test12= 1.73D-14 1.00D-09 XBig12= 1.01D-07 1.91D-05. 8 vectors produced by pass 5 Test12= 1.73D-14 1.00D-09 XBig12= 1.13D-11 2.19D-07. 2 vectors produced by pass 6 Test12= 1.73D-14 1.00D-09 XBig12= 2.66D-15 5.68D-09. InvSVY: IOpt=1 It= 1 EMax= 1.78D-14 Solved reduced A of dimension 621 with 135 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 202.59 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 250.027 20.121 159.687 -6.604 -8.624 198.046 383.490 39.616 241.031 -20.488 -20.436 412.460 (Enter /mnt/data/applications/G09/g09/l716.exe) PT5017.300S Fri May 5 07:21:43 2017 -100.71035 -100.70944 -18.81148 -18.80909 -18.76879 -18.76667 -10.03653 -9.99143 -9.97908 -9.97624 -9.96708 -9.96557 -9.95642 -9.94307 -9.93751 -9.93452 -9.93330 -9.92605 -9.91533 -9.89075 -9.88762 -9.87677 -9.18915 -9.18842 -7.01525 -7.01430 -7.00124 -7.00042 -7.00033 -7.00012 -1.01513 -0.98886 -0.94174 -0.93228 -0.82897 -0.79499 -0.76025 -0.74870 -0.72387 -0.70315 -0.69437 -0.68316 -0.65197 -0.63978 -0.59781 -0.58217 -0.55813 -0.55387 -0.54642 -0.51744 -0.50414 -0.49953 -0.46604 -0.45798 -0.45216 -0.44467 -0.43940 -0.43229 -0.42448 -0.42206 -0.41563 -0.40443 -0.40224 -0.39454 -0.38416 -0.37769 -0.37624 -0.36439 -0.36256 -0.35452 -0.35323 -0.34473 -0.34158 -0.33102 -0.32612 -0.31671 -0.31137 -0.30834 -0.29852 -0.29650 -0.29590 -0.28757 -0.27795 -0.27689 -0.27092 -0.26986 -0.26895 -0.26305 -0.23969 -0.23377 -0.21053 -0.20618 -0.06354 -0.05683 -0.04840 -0.03954 -0.00283 0.02888 0.03789 0.05049 0.07037 0.07798 0.08373 0.08922 0.09336 0.10118 0.10396 0.11555 0.12116 0.12779 0.12872 0.13095 0.13776 0.13965 0.14111 0.14935 0.15379 0.15589 0.16063 0.16170 0.16470 0.17003 0.17306 0.18071 0.18419 0.18788 0.19550 0.19848 0.20159 0.20323 0.21188 0.21618 0.22176 0.23050 0.23854 0.24515 0.25074 0.25863 0.26218 0.26353 0.27864 0.28273 0.28618 0.30183 0.30394 0.31057 0.31319 0.31920 0.32273 0.33119 0.33267 0.33952 0.34328 0.34944 0.35318 0.35858 0.36479 0.37205 0.38061 0.38467 0.39027 0.39574 0.40198 0.40411 0.41397 0.41842 0.42509 0.43644 0.44249 0.44891 0.45273 0.46741 0.47257 0.47943 0.48336 0.49519 0.50018 0.50723 0.51370 0.52093 0.53323 0.54311 0.54781 0.56014 0.59488 0.59881 0.61288 0.62402 0.66016 0.66998 0.67305 0.68514 0.69411 0.72384 0.73149 0.75073 0.75486 0.78198 0.79340 0.80538 0.81299 0.82949 0.85787 0.86243 0.86962 0.88301 0.89262 0.91434 0.92780 0.93395 0.94100 0.94845 0.96117 0.97591 0.98159 0.98436 1.00090 1.01508 1.02900 1.03687 1.04738 1.05446 1.05869 1.08505 1.09867 1.10059 1.11576 1.12130 1.12489 1.13778 1.15507 1.16258 1.17800 1.18182 1.20089 1.21464 1.22965 1.23501 1.24532 1.26989 1.30983 1.33230 1.34404 1.39448 1.41386 1.46922 1.67881 1.73059 1.78267 1.81784 5.86873 5.88093 5.89611 5.90188 5.90891 5.91315 8.77420 8.86459 22.24053 22.39499 22.47048 22.49308 22.51555 22.52040 22.55815 22.57260 22.59496 22.60354 22.62369 22.64507 22.65020 22.66759 22.67529 22.75479 41.50859 41.52834 41.54302 41.56195 217.66898 217.77593 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 Cl Cl 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 -0.020573 -0.052827 -0.269537 -0.237525 -0.246606 -0.246935 -0.375519 -0.260717 -0.345735 -0.416496 -0.500160 -0.294358 -0.255460 -0.313786 -0.691821 0.245658 0.505670 -0.310803 -0.323125 -0.195855 -0.229637 -0.117619 0.206243 0.224023 0.190220 0.183265 0.203082 0.188436 0.259665 0.230541 0.245080 0.230133 0.241967 0.211453 0.198897 0.223574 0.240276 0.223131 0.208258 0.224592 0.213955 0.266668 0.281938 0.258368 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 22 Cl Cl O O O O C C C C C C C C C C C C C C C C -0.020573 -0.052827 -0.269537 -0.237525 -0.246606 -0.246935 0.054746 0.112769 0.045783 0.073710 -0.024947 0.159062 0.167011 0.149620 -0.045016 0.245658 0.505670 -0.310803 -0.056457 0.086083 0.028731 -0.117619 0.00000 -8.79098360e-01 3.72919699e-01 -4.97565709e-01 2.50026858e+02 2.01213020e+01 1.59686533e+02 -6.60398322e+00 -8.62390708e+00 1.98046279e+02 -7.7758 -4.6373 0.0013 0.0014 0.0014 5.8268 14.4499 19.6012 21.7803 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 14.2740 19.5722 21.7752 39.2812 42.3072 53.0506 62.1143 68.2293 79.3429 95.1213 113.6827 124.7225 132.7649 140.1785 163.5275 170.3119 177.1545 183.4042 209.4871 237.9946 241.7971 262.1427 272.9373 304.7953 330.7635 364.6182 367.8147 379.7391 412.5893 433.3050 439.9934 450.5377 518.1667 533.6591 547.2216 609.9982 634.8573 670.9194 699.4923 703.3490 743.9048 750.5298 795.7368 807.4565 811.0722 821.8546 829.1552 862.4347 873.7049 894.5123 904.7718 925.6148 937.9788 975.6926 983.2464 990.7272 1011.3589 1030.5509 1040.0876 1052.5582 1080.9843 1083.0504 1084.1615 1095.8814 1103.2937 1126.6158 1146.9839 1149.9253 1162.4077 1204.4016 1208.2602 1213.4539 1225.6557 1236.3151 1253.2777 1261.9165 1274.4069 1276.4612 1286.2649 1289.1156 1317.6312 1328.1139 1339.1611 1355.2046 1356.8197 1368.3048 1383.8843 1391.5464 1395.5196 1401.9674 1436.4105 1452.1442 1457.7506 1465.7686 1467.8241 1472.6654 1477.1995 1477.7731 1479.1786 1486.3764 1494.8161 1567.1838 1595.3565 1633.6849 2905.0557 2922.9075 2954.5378 2957.0182 2965.5200 2975.1855 2983.9932 2993.2094 3009.9653 3017.4315 3022.2409 3027.9221 3034.3718 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