Gaussian 09 GINC-KIMIK2073 CBGUSER 000183595 EM64L-G09RevD.01 9-Oct-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA)GFInput nosymm 270.60270319999984 0 1 AuxInfo=1/0/N:12,11,10,9,18,15,8,19,16,7,14,17,13,1,2,5,6,4,3/CRV:5.3,6.3,8.3,9.3,11.3,12.3,13.3,19.1/rA:33ClFO1ONNCCCCCCC3C3C3C3C3C3C3HHHHHHHHHHHHHH/rB:;;;;s5;s5;s7;s7;s8;s9;s10s11;s3s6s8;s6;s14;s2s14;s4s15;s16;s1s17s18;s7;s8;s9;s9;s10;s10;s11;s11;s12;s12;s5;s15;s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-13700.inp" -scrdir="/scratch/" chk=000183595.chk nprocshared=4 mem=3GB #p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInp 1/7=-1,11=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=-1,11=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=-1,11=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 000183595 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 35 19 16 16 14 14 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 34.9688527 18.9984033 15.9949146 15.9949146 14.0030740 14.0030740 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 3 1 0 0 2 2 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 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 1 2 3 4 4 5 5 5 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 14 14 15 15 16 17 18 18 19 16 13 17 33 6 7 30 13 14 8 9 20 10 13 21 11 22 23 12 24 25 12 26 27 28 29 15 16 17 31 18 19 19 32 1.7065 1.3345 1.2052 1.3667 0.9943 1.4393 1.5197 1.0391 1.4432 1.4314 1.5548 1.5382 1.1138 1.5292 1.5295 1.1209 1.5293 1.1073 1.1113 1.531 1.1118 1.1089 1.5322 1.1067 1.1072 1.1082 1.1067 1.4076 1.418 1.3987 1.0945 1.3978 1.4091 1.3925 1.0938 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 17 6 6 7 5 5 13 5 5 5 8 8 9 7 7 7 10 10 13 7 7 7 11 11 22 8 8 8 12 12 24 9 9 9 12 12 26 10 10 10 11 11 28 3 3 6 6 6 15 14 14 17 2 2 14 4 4 15 16 16 19 1 1 17 4 5 5 5 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 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 33 7 30 30 13 14 14 8 9 20 9 20 20 10 13 21 13 21 21 11 22 23 22 23 23 12 24 25 24 25 25 12 26 27 26 27 27 11 28 29 28 29 29 6 8 8 15 16 16 17 31 31 14 18 18 15 19 19 19 32 32 17 18 18 111.8485 106.3166 107.4343 109.9267 111.6891 116.8732 125.6256 104.4735 106.9209 110.0336 114.8314 110.5937 109.7462 116.2617 102.8891 109.2709 112.849 107.8409 107.3562 112.1636 109.206 109.8823 110.7305 109.6885 104.9194 113.5443 109.0302 108.7278 109.7263 109.4721 106.0642 110.2622 110.5085 109.7117 110.2792 110.1266 105.8654 110.7265 110.0437 109.7694 110.05 110.3166 105.8222 124.0641 129.0673 106.7552 119.4088 122.9365 117.552 120.0044 120.337 119.65 121.3435 116.1298 122.5232 122.881 115.6823 121.436 119.1042 120.6938 120.2008 119.7273 120.9085 119.3636 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 33 33 7 7 30 30 6 6 6 30 30 30 5 5 14 14 5 5 13 13 5 5 5 9 9 9 20 20 20 5 5 5 8 8 8 20 20 20 7 7 7 13 13 13 21 21 21 7 7 10 10 21 21 7 7 7 22 22 22 23 23 23 8 8 8 24 24 24 25 25 25 9 9 9 26 26 26 27 27 27 6 6 16 16 6 6 15 15 14 14 31 31 2 2 14 14 4 4 15 15 16 16 32 32 4 4 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 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 11 11 11 11 11 11 11 11 11 14 14 14 14 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 17 17 6 6 6 6 7 7 7 7 7 7 13 13 13 13 14 14 14 14 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 13 13 13 13 13 13 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 19 19 19 19 19 19 19 19 15 19 13 14 13 14 8 9 20 8 9 20 3 8 3 8 15 16 15 16 10 13 21 10 13 21 10 13 21 11 22 23 11 22 23 11 22 23 12 24 25 12 24 25 12 24 25 3 6 3 6 3 6 12 26 27 12 26 27 12 26 27 11 28 29 11 28 29 11 28 29 10 28 29 10 28 29 10 28 29 17 31 17 31 2 18 2 18 4 19 4 19 19 32 19 32 1 18 1 18 1 17 1 17 2.2379 -178.075 8.7812 -145.9485 -108.874 96.3963 -23.0268 99.105 -141.7634 92.9617 -144.9066 -25.7749 -174.0159 9.549 -21.9508 161.6142 148.7671 -35.0105 -2.0236 174.1988 151.7597 27.9047 -85.9357 34.974 -88.881 157.2786 -89.8848 146.2602 32.4198 -159.3281 77.5348 -37.041 -43.9476 -167.0847 78.3395 81.3544 -41.7827 -156.3585 -39.2279 -161.8949 82.8905 79.3154 -43.3517 -158.5663 -162.2808 75.0522 -40.1624 160.664 -23.1401 34.5793 -149.2248 -84.1072 92.0887 57.7952 -64.3824 179.2543 -179.9304 57.892 -58.4713 -64.6021 173.2204 56.857 52.5779 -69.3094 174.6162 174.8602 52.9729 -63.1015 -69.1265 168.9862 52.9118 -62.1996 59.684 176.0831 60.1131 -178.0033 -61.6042 176.5883 -61.5281 54.871 176.9276 -2.0025 0.5033 -178.4268 1.6294 -177.6614 177.9177 -1.3731 -179.7083 0.6222 -0.7708 179.5597 -178.2404 1.3483 1.085 -179.3262 -0.322 179.3779 179.37 -0.9301 179.779 0.0827 0.1882 -179.5081 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 198 198 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 33 33 33 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= 10731 NPrTT= 54396 LenC2= 9437 LenP2D= 30785. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 226 RedAO= T EigKep= 2.72D-04 NBF= 226 NBsUse= 226 1.00D-06 EigRej= -1.00D+00 NBFU= 226 Using GEDIIS/GDIIS optimizer. local minimum Step number 9 out of a maximum of 198 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00457 0.00511 0.00605 0.00635 0.00755 0.00962 0.01508 0.01761 0.01949 0.02001 0.02034 0.02060 0.02061 0.02091 0.02128 0.02139 0.02157 0.02305 0.02416 0.03432 0.03639 0.03949 0.04052 0.04225 0.04706 0.04796 0.04947 0.05288 0.05492 0.05724 0.05918 0.06397 0.07563 0.07695 0.07951 0.08065 0.08296 0.08399 0.08931 0.09672 0.11996 0.12105 0.14882 0.15642 0.15967 0.16207 0.17314 0.19250 0.22040 0.22960 0.23548 0.23618 0.24397 0.24865 0.24992 0.25022 0.25069 0.26192 0.27428 0.27877 0.28369 0.28586 0.29104 0.29349 0.29542 0.30229 0.31490 0.32290 0.32426 0.32480 0.32721 0.32790 0.32893 0.32915 0.32961 0.33025 0.34285 0.34485 0.36723 0.37943 0.39453 0.40841 0.41474 0.42770 0.43316 0.44713 0.46085 0.47846 0.49065 0.50010 0.52758 0.55305 0.94275 RFO step: Lambda=-5.95015792D-08. 1 2 0.00052304 0.00000019 0.00000025 0.00000022 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 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 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 3.41355 2.67017 2.38537 2.64015 1.86993 2.77892 2.86080 1.95997 2.65939 2.67762 2.93887 2.91938 2.08813 2.91572 2.91437 2.10168 2.91967 2.08801 2.09416 2.92135 2.09077 2.09384 2.92085 2.09786 2.09053 2.09457 2.09081 2.68022 2.67682 2.66912 2.06717 2.64776 2.67734 2.65591 2.06479 1.93396 1.80543 1.87858 1.94880 1.96675 2.08247 2.22412 1.82037 1.90805 1.88329 1.97256 1.94855 1.92587 2.03954 1.77164 1.90334 1.98930 1.89745 1.85106 1.95830 1.89753 1.89544 1.94770 1.90307 1.85848 1.97309 1.89009 1.89471 1.92659 1.90402 1.87245 1.92394 1.92239 1.91325 1.91291 1.92819 1.86229 1.93717 1.91381 1.90786 1.90777 1.93173 1.86405 2.19830 2.22445 1.86035 2.11450 2.12022 2.04833 2.11451 2.06702 2.10136 2.09238 2.05207 2.13789 2.13849 2.05756 2.08709 2.07837 2.09011 2.11441 2.09551 2.08850 2.09904 0.05467 -3.09778 0.26072 -2.74159 -1.80409 1.47679 -0.52259 1.59156 -2.59671 1.49277 -2.67627 -0.58135 -3.01147 0.11708 -0.02293 3.10563 2.56328 -0.59672 -0.41629 2.70690 2.75858 0.58374 -1.36495 0.68792 -1.48692 2.84758 -1.49546 2.61289 0.66420 -2.85286 1.26752 -0.74793 -0.83385 -2.99665 1.27108 1.36176 -0.80105 -2.81650 -0.72007 -2.86056 1.39503 1.33999 -0.80050 -2.82810 -2.88273 1.25996 -0.76764 2.69672 -0.43158 0.48849 -2.63981 -1.59839 1.55650 1.03036 -1.08268 -3.12669 -3.11827 1.05188 -0.99213 -1.07015 3.10000 1.05598 0.89131 -1.21825 3.02692 3.01134 0.90179 -1.13623 -1.21851 2.95512 0.91710 -1.05318 1.05994 3.10831 1.06551 -3.10456 -1.05619 3.11275 -1.05732 0.99105 -3.13709 0.03040 0.02217 -3.09352 -0.07619 3.11055 3.04766 -0.04878 -3.13586 0.01677 -0.02067 3.13195 -3.06236 0.05324 0.03508 -3.13252 -0.00318 3.12067 3.12788 -0.03144 3.13011 0.00618 0.01489 -3.10904 0.00003 0.00001 0.00004 0.00004 0.00002 0.00000 0.00001 0.00000 -0.00003 0.00000 0.00000 -0.00001 0.00001 0.00002 0.00001 -0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00004 -0.00001 0.00002 0.00000 0.00000 -0.00003 0.00002 -0.00001 -0.00001 -0.00002 0.00000 0.00000 0.00003 -0.00003 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 -0.00002 0.00000 0.00001 0.00001 0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00001 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 -0.00001 0.00006 -0.00007 0.00002 -0.00001 0.00002 0.00000 -0.00004 0.00003 0.00001 -0.00001 0.00001 0.00000 -0.00003 0.00002 0.00002 -0.00001 -0.00001 0.00002 0.00002 0.00002 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 -0.00001 0.00001 -0.00001 -0.00001 0.00001 0.00000 -0.00001 0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00004 -0.00002 0.00003 0.00002 0.00004 0.00002 0.00002 0.00001 0.00000 0.00002 -0.00005 0.00004 0.00001 0.00001 0.00001 -0.00002 -0.00001 0.00000 -0.00001 0.00000 0.00000 -0.00002 -0.00001 -0.00001 0.00000 -0.00001 -0.00007 -0.00004 -0.00001 0.00000 -0.00005 -0.00001 -0.00002 0.00001 0.00004 -0.00005 0.00008 -0.00008 0.00003 -0.00006 0.00005 0.00001 -0.00002 0.00000 0.00002 -0.00003 0.00002 0.00000 0.00000 -0.00001 -0.00006 0.00002 0.00005 -0.00001 -0.00001 0.00000 -0.00002 0.00002 0.00003 -0.00003 0.00003 0.00003 -0.00003 -0.00002 0.00001 0.00000 0.00000 -0.00003 0.00002 -0.00002 0.00003 -0.00001 0.00000 0.00000 -0.00001 0.00000 0.00002 -0.00002 0.00003 -0.00001 0.00016 -0.00019 0.00003 -0.00003 0.00007 -0.00004 -0.00014 0.00011 0.00003 0.00002 -0.00001 -0.00001 -0.00006 0.00006 0.00000 -0.00002 -0.00002 0.00004 0.00049 0.00045 0.00014 -0.00001 0.00021 0.00006 -0.00009 -0.00008 -0.00006 -0.00006 -0.00004 -0.00003 -0.00007 -0.00013 0.00008 0.00002 -0.00059 -0.00060 -0.00077 -0.00077 -0.00004 0.00003 -0.00002 -0.00003 0.00004 -0.00001 -0.00005 0.00002 -0.00002 0.00002 0.00006 0.00004 0.00003 0.00007 0.00004 0.00002 0.00006 0.00003 0.00001 0.00004 -0.00001 -0.00003 0.00000 -0.00005 0.00000 0.00003 -0.00002 0.00001 0.00007 0.00004 0.00010 0.00001 0.00007 0.00002 -0.00001 -0.00002 -0.00002 -0.00004 -0.00006 0.00002 -0.00001 -0.00002 0.00004 0.00006 0.00004 0.00004 0.00006 0.00004 0.00003 0.00006 0.00003 -0.00007 -0.00008 -0.00007 -0.00005 -0.00007 -0.00005 -0.00002 -0.00004 -0.00002 -0.00014 -0.00007 -0.00014 -0.00007 0.00011 0.00013 0.00011 0.00013 0.00003 0.00007 -0.00004 0.00000 -0.00002 -0.00002 -0.00005 -0.00004 0.00007 0.00005 0.00003 0.00001 -0.00004 -0.00002 -0.00005 -0.00003 0.00014 0.00005 0.00005 0.00007 0.00002 -0.00002 0.00004 -0.00002 -0.00012 0.00000 0.00005 0.00002 -0.00001 0.00010 0.00003 -0.00005 0.00003 0.00001 -0.00001 0.00003 -0.00002 -0.00001 0.00004 -0.00002 0.00001 0.00000 -0.00001 -0.00009 0.00003 0.00006 0.00000 0.00002 -0.00005 0.00007 -0.00003 -0.00011 -0.00005 -0.00021 -0.00001 0.00010 0.00001 -0.00017 0.00000 0.00001 -0.00006 0.00004 0.00000 0.00001 0.00007 -0.00002 0.00006 -0.00022 -0.00001 0.00013 0.00006 0.00004 -0.00001 -0.00002 -0.00005 -0.00003 -0.00003 -0.00011 0.00000 0.00007 -0.00001 0.00008 -0.00001 0.00000 -0.00003 0.00001 0.00001 0.00002 0.00003 -0.00001 0.00003 -0.00002 -0.00001 -0.00003 -0.00003 0.00006 -0.00003 0.00005 -0.00010 0.00005 -0.00004 0.00007 -0.00003 -0.00007 0.00007 0.00001 -0.00002 0.00003 -0.00001 -0.00010 0.00005 0.00005 -0.00003 -0.00004 0.00007 0.00104 0.00085 -0.00010 0.00033 0.00003 0.00046 0.00006 0.00011 0.00009 -0.00022 -0.00017 -0.00019 -0.00002 0.00011 -0.00047 -0.00034 -0.00035 -0.00026 0.00012 0.00021 -0.00024 0.00001 -0.00015 -0.00027 -0.00002 -0.00018 -0.00031 -0.00006 -0.00022 0.00020 0.00015 0.00017 0.00023 0.00018 0.00020 0.00026 0.00021 0.00023 0.00017 0.00018 0.00014 0.00002 0.00003 -0.00001 0.00004 0.00005 0.00001 0.00007 -0.00007 0.00012 -0.00002 0.00017 0.00004 -0.00008 -0.00009 -0.00010 0.00000 0.00000 -0.00001 -0.00008 -0.00009 -0.00009 0.00000 0.00000 0.00003 -0.00012 -0.00012 -0.00009 0.00002 0.00003 0.00005 -0.00005 -0.00005 -0.00011 -0.00005 -0.00005 -0.00010 -0.00002 -0.00002 -0.00007 0.00008 0.00010 -0.00001 0.00001 0.00018 -0.00022 0.00026 -0.00013 -0.00010 0.00010 -0.00011 0.00008 -0.00022 -0.00024 0.00016 0.00014 0.00007 0.00012 -0.00012 -0.00006 -0.00001 -0.00006 0.00001 -0.00004 0.00013 0.00009 0.00003 0.00010 0.00004 0.00002 0.00006 -0.00001 -0.00011 0.00000 0.00008 -0.00003 0.00003 0.00011 0.00005 -0.00004 0.00001 0.00000 -0.00001 0.00002 -0.00001 -0.00002 0.00001 -0.00003 0.00000 0.00000 -0.00002 -0.00016 -0.00001 0.00005 0.00000 -0.00004 -0.00005 0.00005 -0.00002 -0.00006 -0.00010 -0.00013 -0.00009 0.00013 -0.00005 -0.00012 0.00001 -0.00001 -0.00006 0.00006 -0.00003 0.00003 0.00007 -0.00002 0.00005 -0.00028 0.00001 0.00018 0.00005 0.00003 -0.00001 -0.00004 -0.00003 0.00000 -0.00006 -0.00008 0.00003 0.00005 -0.00002 0.00010 -0.00001 0.00000 -0.00005 0.00003 -0.00001 0.00004 0.00002 -0.00002 0.00004 -0.00003 -0.00001 -0.00001 -0.00005 0.00009 -0.00004 0.00020 -0.00029 0.00009 -0.00007 0.00014 -0.00007 -0.00021 0.00017 0.00005 0.00000 0.00002 -0.00002 -0.00015 0.00010 0.00005 -0.00004 -0.00006 0.00011 0.00153 0.00130 0.00004 0.00031 0.00025 0.00052 -0.00003 0.00004 0.00003 -0.00028 -0.00021 -0.00022 -0.00010 -0.00002 -0.00039 -0.00032 -0.00095 -0.00086 -0.00065 -0.00056 -0.00029 0.00004 -0.00017 -0.00031 0.00002 -0.00019 -0.00036 -0.00004 -0.00025 0.00022 0.00022 0.00021 0.00026 0.00025 0.00024 0.00028 0.00028 0.00027 0.00018 0.00022 0.00013 -0.00001 0.00003 -0.00006 0.00004 0.00009 0.00000 0.00007 0.00000 0.00016 0.00008 0.00018 0.00011 -0.00006 -0.00010 -0.00012 -0.00001 -0.00005 -0.00007 -0.00006 -0.00010 -0.00012 0.00003 0.00007 0.00007 -0.00008 -0.00005 -0.00005 0.00005 0.00008 0.00008 -0.00012 -0.00014 -0.00018 -0.00010 -0.00012 -0.00016 -0.00004 -0.00006 -0.00009 -0.00006 0.00002 -0.00015 -0.00006 0.00028 -0.00009 0.00037 0.00000 -0.00007 0.00017 -0.00016 0.00008 -0.00024 -0.00026 0.00011 0.00010 0.00014 0.00018 -0.00009 -0.00005 -0.00005 -0.00009 -0.00004 -0.00008 3.41369 2.67026 2.38540 2.64024 1.86997 2.77894 2.86086 1.95997 2.65928 2.67762 2.93894 2.91935 2.08816 2.91583 2.91441 2.10163 2.91968 2.08800 2.09415 2.92137 2.09075 2.09382 2.92086 2.09783 2.09053 2.09458 2.09080 2.68006 2.67681 2.66917 2.06717 2.64773 2.67729 2.65596 2.06477 1.93389 1.80533 1.87844 1.94872 1.96687 2.08242 2.22401 1.82038 1.90803 1.88323 1.97261 1.94851 1.92590 2.03961 1.77162 1.90339 1.98902 1.89747 1.85124 1.95835 1.89756 1.89544 1.94766 1.90304 1.85848 1.97302 1.89001 1.89474 1.92663 1.90399 1.87255 1.92393 1.92239 1.91319 1.91294 1.92818 1.86233 1.93719 1.91379 1.90790 1.90774 1.93172 1.86404 2.19825 2.22454 1.86031 2.11470 2.11993 2.04842 2.11444 2.06716 2.10129 2.09218 2.05224 2.13794 2.13849 2.05757 2.08708 2.07821 2.09021 2.11446 2.09546 2.08844 2.09915 0.05621 -3.09648 0.26076 -2.74127 -1.80385 1.47731 -0.52261 1.59160 -2.59668 1.49249 -2.67648 -0.58157 -3.01157 0.11706 -0.02332 3.10531 2.56233 -0.59757 -0.41694 2.70634 2.75829 0.58378 -1.36512 0.68761 -1.48690 2.84739 -1.49583 2.61285 0.66395 -2.85263 1.26774 -0.74772 -0.83359 -2.99640 1.27133 1.36204 -0.80078 -2.81623 -0.71989 -2.86034 1.39516 1.33998 -0.80047 -2.82816 -2.88269 1.26005 -0.76764 2.69679 -0.43158 0.48865 -2.63972 -1.59820 1.55661 1.03030 -1.08277 -3.12681 -3.11828 1.05184 -0.99220 -1.07022 3.09990 1.05586 0.89134 -1.21818 3.02699 3.01126 0.90174 -1.13628 -1.21846 2.95520 0.91719 -1.05329 1.05980 3.10814 1.06541 -3.10468 -1.05634 3.11272 -1.05738 0.99096 -3.13716 0.03042 0.02202 -3.09358 -0.07591 3.11046 3.04804 -0.04878 -3.13593 0.01694 -0.02083 3.13204 -3.06260 0.05298 0.03519 -3.13242 -0.00304 3.12085 3.12779 -0.03150 3.13006 0.00610 0.01485 -3.10911 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000072 0.000012 0.002569 0.000523 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -9.298012e-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 1 2 3 4 4 5 5 5 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 14 14 15 15 16 17 18 18 19 16 13 17 33 6 7 30 13 14 8 9 20 10 13 21 11 22 23 12 24 25 12 26 27 28 29 15 16 17 31 18 19 19 32 1.8064 1.413 1.2623 1.3971 0.9895 1.4705 1.5139 1.0372 1.4073 1.4169 1.5552 1.5449 1.105 1.5429 1.5422 1.1122 1.545 1.1049 1.1082 1.5459 1.1064 1.108 1.5456 1.1101 1.1063 1.1084 1.1064 1.4183 1.4165 1.4124 1.0939 1.4011 1.4168 1.4054 1.0926 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 17 6 6 7 5 5 13 5 5 5 8 8 9 7 7 7 10 10 13 7 7 7 11 11 22 8 8 8 12 12 24 9 9 9 12 12 26 10 10 10 11 11 28 3 3 6 6 6 15 14 14 17 2 2 14 4 4 15 16 16 19 1 1 17 4 5 5 5 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 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 33 7 30 30 13 14 14 8 9 20 9 20 20 10 13 21 13 21 21 11 22 23 22 23 23 12 24 25 24 25 25 12 26 27 26 27 27 11 28 29 28 29 29 6 8 8 15 16 16 17 31 31 14 18 18 15 19 19 19 32 32 17 18 18 110.8075 103.4436 107.6345 111.6582 112.6864 119.3165 127.4329 104.2995 109.3229 107.9045 113.0191 111.6435 110.3444 116.857 101.5076 109.0535 113.9787 108.7162 106.0582 112.2022 108.7203 108.6009 111.5951 109.0379 106.4832 113.0495 108.2943 108.5587 110.3852 109.0921 107.2837 110.2337 110.145 109.6209 109.6016 110.4772 106.7013 110.9915 109.6531 109.3125 109.3074 110.6798 106.8021 125.9534 127.4516 106.5902 121.1517 121.4795 117.3609 121.1525 118.4316 120.3991 119.8848 117.575 122.4921 122.5263 117.8892 119.5816 119.0816 119.7545 121.1467 120.0636 119.6623 120.2664 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 33 33 7 7 30 30 6 6 6 30 30 30 5 5 14 14 5 5 13 13 5 5 5 9 9 9 20 20 20 5 5 5 8 8 8 20 20 20 7 7 7 13 13 13 21 21 21 7 7 10 10 21 21 7 7 7 22 22 22 23 23 23 8 8 8 24 24 24 25 25 25 9 9 9 26 26 26 27 27 27 6 6 16 16 6 6 15 15 14 14 31 31 2 2 14 14 4 4 15 15 16 16 32 4 4 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 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 11 11 11 11 11 11 11 11 11 14 14 14 14 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 17 17 6 6 6 6 7 7 7 7 7 7 13 13 13 13 14 14 14 14 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 13 13 13 13 13 13 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 19 19 19 19 19 19 19 15 19 13 14 13 14 8 9 20 8 9 20 3 8 3 8 15 16 15 16 10 13 21 10 13 21 10 13 21 11 22 23 11 22 23 11 22 23 12 24 25 12 24 25 12 24 25 3 6 3 6 3 6 12 26 27 12 26 27 12 26 27 11 28 29 11 28 29 11 28 29 10 28 29 10 28 29 10 28 29 17 31 17 31 2 18 2 18 4 19 4 19 19 32 19 32 1 18 1 18 1 17 1 3.1326 -177.4895 14.938 -157.0815 -103.3669 84.6136 -29.9421 91.1895 -148.7806 85.5295 -153.339 -33.3091 -172.5448 6.7083 -1.3137 177.9394 146.8651 -34.1894 -23.8517 155.0938 158.055 33.4461 -78.2057 39.4148 -85.1941 163.1541 -85.6836 149.7075 38.0557 -163.4566 72.6236 -42.8531 -47.7758 -171.6956 72.8276 78.0228 -45.897 -161.3737 -41.2568 -163.8979 79.9292 76.7757 -45.8654 -162.0383 -165.1683 72.1906 -43.9823 154.5107 -24.7276 27.9886 -151.2498 -91.5808 89.1809 59.0353 -62.0328 -179.1463 -178.6634 60.2686 -56.8449 -61.3152 177.6168 60.5033 51.0682 -69.8005 173.43 172.5373 51.6686 -65.1009 -69.8156 169.3157 52.5462 -60.3426 60.73 178.0931 61.0494 -177.8781 -60.515 178.3476 -60.5799 56.7833 -179.7423 1.7417 1.2703 -177.2457 -4.3656 178.2212 174.6183 -2.7949 -179.6714 0.9608 -1.1844 179.4478 -175.4601 3.0503 2.0097 -179.4799 -0.1824 178.8014 179.2145 -1.8017 179.3422 0.3543 0.8533 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0 270.60270319999984 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5.909107 4.691312 0.000000 2.934039 2.615845 6.360836 4.589267 4.979794 4.633379 6.470656 6.941865 6.999078 8.340822 8.453098 8.671618 5.908931 3.450693 3.915121 2.162546 3.444812 1.092639 2.181218 7.034416 7.118645 7.072493 6.456447 8.621872 9.102116 9.099799 8.951486 8.244145 9.763460 4.885482 5.008640 0.000000 3.982196 6.059200 4.444416 0.989524 6.202104 4.900733 6.929605 6.576017 6.928104 7.186022 7.687459 7.135488 5.079998 3.933116 2.522770 4.663827 1.978194 4.421667 3.248476 7.989080 7.171636 7.586054 5.951375 6.934129 8.272073 8.695899 7.942620 6.187260 7.916034 6.786746 2.362841 5.388186 0.000000 0.7606061 0.1699923 0.1538284 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= 219 219 219 219 219 MxSgAt= 33 MxSgA2= 33. 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 33 33 33 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 33 33 33 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 33 33 33 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 33 33 33 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 33 33 33 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 33 33 33 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 33 33 33 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 33 33 33 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= 10731 NPrTT= 54396 LenC2= 9385 LenP2D= 30554. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 226 RedAO= T EigKep= 3.11D-04 NBF= 226 NBsUse= 226 1.00D-06 EigRej= -1.00D+00 NBFU= 226 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= 219 219 219 219 219 MxSgAt= 33 MxSgA2= 33. 1 Closed 1 0 1 -1322.08998210073 -1322.03166201955 0.058320081172 -1322.31248909079 -0.280827071238 -1322.34303488141 -0.030545790619 -1322.43609793826 -0.093063056844 -1322.43804603924 -0.001948100989 -1322.43864390835 -0.000597869104 -1322.43870889464 -0.000064986290 -1322.43871785329 -0.000008958650 -1322.43886775184 -0.000149898556 -1322.43886805204 -0.000000300196 -1322.43886797689 0.000000075148 -1322.43886830984 -0.000000332950 -1322.43886833529 -0.000000025447 -1322.43886833677 -0.000000001486 -1322.43886833688 -0.000000000107 -1322.43886833689 -0.000000000010 -1322.43886833695 -0.000000000057 -1322.43886834 18 1.317914020561e+03 -6.279081498626e+03 2.054110440338e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=335022710. IVT= 174556 IEndB= 174556 NGot= 402653184 MDV= 73478903 LenX= 73478903 LenY= 73427386 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= 25651 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. -1.93178752e+00 2.14596960e-01 -1.82336116e-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 17 9 8 8 7 7 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 0.047369189 -0.002567788 0.014287143 -0.021933352 0.051055222 -0.023010836 0.015435168 -0.079129287 -0.001529038 0.004543336 -0.029378803 0.008430985 -0.010977659 0.020854377 -0.012389694 -0.001880859 -0.010842987 0.013445450 0.003668764 0.002392539 0.000050704 -0.002862016 0.006390577 -0.005187259 0.000824405 0.003213494 0.005687499 -0.007214735 -0.010956811 -0.005128463 -0.003604820 0.000347491 0.010035369 -0.003110819 -0.005200971 0.004348392 -0.002160950 0.080184233 -0.005946163 -0.006913858 -0.003472242 -0.007920830 0.001885933 -0.004068051 0.002064478 0.011140299 -0.038254222 0.015083737 -0.002490885 0.009163177 -0.002452075 0.000703330 0.000928854 0.001282407 -0.033883994 0.002246915 -0.010379950 0.005975436 -0.002234424 0.001606998 0.003787257 -0.000437873 0.005065917 0.000597290 -0.000117927 -0.002301082 -0.001401461 -0.001634341 -0.003380062 0.000630437 0.002900584 -0.000685982 0.000092743 0.000653155 0.001367543 -0.001686113 -0.000152451 -0.002137798 0.000272498 0.000327351 0.000102032 0.001247168 0.001307571 0.000316105 -0.000434264 -0.000399927 -0.001117493 0.000990940 0.000326712 0.002328757 0.000545683 0.001988289 -0.001213843 -0.002541673 0.000917691 -0.001014814 0.003387582 0.003649873 0.000291869 0.080184233 0.015894928 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -1322.45974935262 -1322.45977138448 -0.000022031859 -1322.45977060598 0.000000778495 -1322.45977152970 -0.000000923715 -1322.45977155443 -0.000000024727 -1322.45977156075 -0.000000006327 -1322.45977156140 -0.000000000643 -1322.45977156142 -0.000000000023 -1322.45977156143 -0.000000000014 -1322.45977156 9 1.317100795600e+03 -6.237959990795e+03 2.033930752538e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=335022710. IVT= 174556 IEndB= 174556 NGot= 402653184 MDV= 73478903 LenX= 73478903 LenY= 73427386 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= 25651 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 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 -100.707254 -24.287991 -18.808227 -18.757009 -14.082466 -14.044353 -10.015991 -10.002571 -9.992888 -9.979770 -9.976025 -9.953886 -9.936027 -9.929926 -9.929010 -9.905126 -9.901241 -9.900610 -9.898293 -9.186075 -7.012282 -6.998043 -6.997347 -1.115741 -0.989646 -0.978503 -0.930545 -0.827725 -0.801621 -0.765591 -0.749356 -0.707457 -0.700699 -0.677597 -0.675241 -0.610917 -0.592164 -0.565760 -0.561601 -0.538766 -0.516610 -0.504105 -0.488095 -0.476829 -0.464733 -0.445360 -0.440767 -0.419750 -0.414487 -0.410163 -0.400368 -0.396723 -0.384383 -0.376913 -0.375031 -0.371291 -0.367535 -0.351764 -0.343177 -0.340828 -0.330807 -0.325351 -0.314921 -0.309871 -0.305235 -0.290892 -0.283023 -0.281798 -0.269198 -0.265339 -0.238082 -0.220372 -0.210888 -0.189684 -0.070340 -0.047847 -0.027759 -0.023288 0.015380 0.035610 0.042432 0.068935 0.076190 0.090867 0.098940 0.100891 0.103966 0.109000 0.120787 0.126874 0.130932 0.143995 0.150027 0.153928 0.161697 0.164064 0.169206 0.179344 0.187558 0.194112 0.201324 0.212022 0.213127 0.218437 0.224082 0.229789 0.234672 0.239216 0.246568 0.261086 0.279768 0.281064 0.292675 0.296144 0.305405 0.311931 0.313125 0.324756 0.334427 0.343843 0.345045 0.354950 0.358557 0.365104 0.367446 0.376273 0.383401 0.386808 0.389309 0.397491 0.404425 0.410044 0.416306 0.422717 0.439261 0.454009 0.459719 0.467707 0.486220 0.487490 0.495137 0.496972 0.511877 0.523476 0.541448 0.550503 0.554268 0.580087 0.588687 0.603022 0.621165 0.637731 0.658799 0.665222 0.689374 0.699480 0.703969 0.713593 0.734757 0.741467 0.763249 0.776525 0.791343 0.821018 0.836342 0.846027 0.864206 0.878248 0.904371 0.914491 0.935682 0.948397 0.958520 0.972176 0.978647 0.988614 0.994711 1.000029 1.025427 1.038607 1.049127 1.052090 1.076939 1.098267 1.108680 1.117774 1.122983 1.144720 1.161227 1.173618 1.187621 1.224930 1.251536 1.280989 1.337923 1.370084 1.392715 1.434388 1.508506 1.551953 1.694988 1.712632 1.936853 5.875085 5.907418 5.909772 8.818625 22.233408 22.425684 22.484926 22.501967 22.566061 22.588747 22.611329 22.622611 22.655894 22.663052 22.667707 22.675704 22.753155 31.476005 31.504424 41.505336 41.550045 52.980409 217.721565 137.016910 37.167818 29.116658 29.117197 22.045455 22.048591 15.956358 15.956357 15.956149 15.955569 15.955699 15.958509 15.953674 15.953339 15.955878 15.957875 15.957232 15.958283 15.958248 21.398378 20.478759 20.497877 20.498419 3.666975 2.572494 2.211330 2.309699 1.768909 2.056217 1.984741 1.848116 1.675665 1.854770 1.861126 1.590271 1.693582 1.713419 1.598318 1.596750 1.531967 1.523740 1.634466 1.840170 2.026917 1.634346 1.097383 1.554132 1.345300 1.368786 1.640448 1.170808 2.118898 1.822703 1.787566 1.779347 1.739996 1.616748 1.390062 1.488448 1.432099 2.558636 2.216474 1.240202 2.015865 1.826462 1.179994 1.485485 1.374795 2.447081 1.902526 1.757982 2.232396 1.947226 1.999329 1.770768 1.812564 2.197803 2.661083 1.856575 2.154757 2.153408 1.690912 1.488733 1.832566 1.650729 1.169218 1.514195 1.250896 1.505047 1.838057 1.326247 1.502188 2.014739 1.320891 1.309849 1.617464 1.655127 1.717883 1.864467 1.551650 1.365339 1.186846 1.411627 1.630491 1.324256 1.682985 1.363747 1.641440 1.802949 1.463345 1.425442 1.532193 1.418655 1.651718 1.510026 1.621479 1.401672 1.559980 1.636254 2.094238 1.644515 1.751008 2.087049 2.097494 1.956618 1.763120 1.968534 2.330726 1.559581 1.849573 2.246008 2.113993 2.232047 2.188510 2.588103 2.365332 2.204448 2.428136 2.350459 1.834904 2.126644 2.223296 2.190606 2.607543 2.333171 2.113207 2.407141 2.242646 2.972490 2.534551 1.902148 2.537339 2.407307 2.273076 2.506000 2.278889 2.313854 2.599428 2.786368 2.682201 2.453797 2.376019 2.381924 2.675416 2.939961 2.692856 3.017942 2.785261 2.933442 2.753262 2.908969 2.894120 2.901611 2.970687 3.033250 2.997894 3.003305 3.008397 3.050813 2.872308 3.109141 2.939083 2.855766 2.819967 2.853233 2.797857 2.781182 3.441706 2.865356 2.789954 2.875810 3.197866 2.776894 2.869744 3.116202 2.853203 3.180182 2.954241 4.050414 3.634798 5.096126 5.152831 6.399459 16.517244 16.564902 16.527884 34.866714 57.408055 57.414256 57.410297 57.409302 57.409015 57.412247 57.409995 57.394549 57.389165 57.389480 57.370163 57.389412 57.384234 80.061315 80.079571 105.845761 105.843596 135.434371 561.938236 1.317100795600D+03 PT2810.800S Mon Oct 9 09:54:28 2017 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 Cl F O O N N 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 0.044471 -0.164961 -0.189776 -0.409485 -0.267510 -0.290842 -0.212738 -0.238430 -0.409032 -0.443027 -0.381675 -0.406042 0.123404 0.382303 -0.476656 0.178594 0.458152 -0.355232 -0.378047 0.249484 0.256329 0.223558 0.221527 0.238177 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-0.10765 -0.09274 0.13660 1.17426 0.81409 0.74175 0.56662 0.90616 0.92324 0.82398 0.06555 0.21186 0.24854 1.17443 0.81392 0.77029 0.34089 0.92166 0.75008 0.83836 0.02174 0.05464 0.16287 1.17440 0.81396 0.76991 0.29063 0.91854 0.80723 0.81942 -0.13493 -0.05522 0.15860 1.17431 0.81410 0.74874 0.53872 0.90818 0.91774 0.81766 0.08176 0.13235 0.20486 1.17439 0.81400 0.73559 0.70974 0.76621 0.92490 0.87322 -0.04365 0.12089 0.23323 0.51750 0.23187 0.51061 0.23442 0.51444 0.26086 0.51178 0.27684 0.50979 0.25290 0.51422 0.28281 0.51333 0.29816 0.51441 0.27807 0.51289 0.27346 0.51470 0.27548 0.49967 0.21084 0.50319 0.20468 0.50481 0.21370 0.48177 0.15033 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 Cl F O O N N 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 -0.003776 -0.203513 -0.236995 -0.406771 -0.240564 -0.293883 -0.214637 -0.230693 -0.404220 -0.432180 -0.376647 -0.408334 0.128421 0.425703 -0.476043 0.151128 0.437466 -0.338421 -0.308517 0.250630 0.254970 0.224695 0.211381 0.237312 0.202971 0.188513 0.207527 0.213651 0.209816 0.289484 0.292137 0.281484 0.367903 0.00000 -1.86687937e+00 3.47446022e-01 -7.82532902e-02 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -4.7451 0.8831 -0.1989 4.8307 -120.1782 -117.8784 -116.2672 -2.7005 -0.6711 -6.8831 -2.0703 0.2296 1.8407 -2.7005 -0.6711 -6.8831 -194.8406 -12.2866 -8.9793 -11.9388 33.4816 -25.9937 -40.9586 2.1453 11.8372 4.2712 -7350.6687 -1113.2089 -632.1426 115.4206 -129.8909 -107.7285 31.2228 -55.2836 80.5706 -1338.4506 -1303.4000 -294.6376 20.6205 -2.2134 -23.7398 0 -1322.4597716 6.002E-9 2.378E-5 -1.5391839,0.1706783,1.3685056,-2.0077726,-0.4989284,-5.1174425 C01[X(C13H14Cl1F1N2O2)] -1.8668794 0.347446 -0.0782533 @ 0.000033012 -0.000011472 -0.000000691 -0.000023451 -0.000009052 -0.000009261 0.000003374 -0.000038424 0.000003338 0.000021428 -0.000009698 0.000047025 0.000039723 0.000016931 0.000000460 -0.000055836 0.000003037 -0.000037021 0.000000973 -0.000006317 0.000004896 0.000013631 0.000045267 -0.000046463 0.000014031 0.000015103 -0.000016921 -0.000027107 -0.000047896 0.000010697 -0.000016530 0.000020798 0.000002101 -0.000002480 0.000011776 0.000003445 0.000019232 0.000023884 0.000042054 0.000025245 -0.000073325 0.000033347 -0.000044587 0.000035711 0.000000721 0.000010286 -0.000022947 -0.000018548 0.000034785 0.000039732 -0.000028581 0.000028151 0.000036469 -0.000019641 -0.000078311 -0.000052922 -0.000011083 0.000001504 0.000008497 -0.000010000 -0.000014289 -0.000009385 0.000013874 0.000004090 0.000009323 -0.000002793 -0.000000541 0.000011713 0.000001126 0.000006723 0.000006954 0.000012877 0.000001130 0.000006571 0.000015517 0.000012726 0.000009278 0.000004378 0.000008044 0.000018681 0.000004660 -0.000002559 0.000010617 0.000010256 0.000002068 0.000016122 0.000018198 0.000001104 -0.000013351 -0.000011364 0.000004987 -0.000007648 0.000006961 -0.000003033 -0.000021636 -0.000014710 -0.000017524 -0.000022393 -0.000008854 270.60270319999984 AuxInfo=1/0/N:12,11,10,9,18,15,8,19,16,7,14,17,13,1,2,5,6,4,3/CRV:5.3,6.3,8.3,9.3,11.3,12.3,13.3,19.1/rA:33ClFO1ONNCCCCCCC3C3C3C3C3C3C3HHHHHHHHHHHHHH/rB:;;;;s5;s5;s7;s7;s8;s9;s10s11;s3s6s8;s6;s14;s2s14;s4s15;s16;s1s17s18;s7;s8;s9;s9;s10;s10;s11;s11;s12;s12;s5;s15;s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2073 CBGUSER 000183595 EM64L-G09RevD.01 9-Oct-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 93 C1[X(C13H14ClFN2O2)] RPBEPBE SDD Freq #p freq=noraman PBEPBE/SDD 270.60270319999984 0 1 AuxInfo=1/0/N:12,11,10,9,18,15,8,19,16,7,14,17,13,1,2,5,6,4,3/CRV:5.3,6.3,8.3,9.3,11.3,12.3,13.3,19.1/rA:33ClFO1ONNCCCCCCC3C3C3C3C3C3C3HHHHHHHHHHHHHH/rB:;;;;s5;s5;s7;s7;s8;s9;s10s11;s3s6s8;s6;s14;s2s14;s4s15;s16;s1s17s18;s7;s8;s9;s9;s10;s10;s11;s11;s12;s12;s5;s15;s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-14323.inp" -scrdir="/scratch/" chk=000183595-Freq.chk nprocshared=4 mem=3GB #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 000183595 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 35 19 16 16 14 14 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 34.9688527 18.9984033 15.9949146 15.9949146 14.0030740 14.0030740 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 3 1 0 0 2 2 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 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| 0.000334 0.000081 0.019952 0.006610 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -4.428056e-06 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 1564.4686849079 226 524 226 74 74 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 33 33 33 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 0 270.60270319999984 AuxInfo=1/0/N:12,11,10,9,18,15,8,19,16,7,14,17,13,1,2,5,6,4,3/CRV:5.3,6.3,8.3,9.3,11.3,12.3,13.3,19.1/rA:33ClFO1ONNCCCCCCC3C3C3C3C3C3C3HHHHHHHHHHHHHH/rB:;;;;s5;s5;s7;s7;s8;s9;s10s11;s3s6s8;s6;s14;s2s14;s4s15;s16;s1s17s18;s7;s8;s9;s9;s10;s10;s11;s11;s12;s12;s5;s15;s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 5.185105 0.000000 6.982167 5.040700 0.000000 2.993312 5.605746 4.911688 0.000000 6.897649 2.726454 3.606735 6.151947 0.000000 6.068881 2.862009 2.379025 4.932898 1.470539 0.000000 8.206925 4.224964 3.598349 7.066417 1.513870 2.342952 0.000000 8.387659 4.816335 2.517807 6.866459 2.423509 2.366065 1.555181 0.000000 8.441197 5.084699 4.138008 7.127200 2.495229 3.140045 1.544871 2.585380 0.000000 9.527030 6.323905 3.020217 7.649406 3.832663 3.708210 2.639561 1.542930 3.008473 0.000000 9.702634 6.538220 4.551985 8.050891 3.862638 4.290861 2.564682 2.972082 1.545023 2.547707 0.000000 9.649715 6.850537 3.637549 7.646007 4.251673 4.199134 3.017948 2.576481 2.535339 1.545914 1.545648 0.000000 7.022493 4.192735 1.262283 5.367006 2.395680 1.407289 2.398746 1.542217 3.167218 2.587109 3.838688 3.285172 0.000000 4.652063 2.449000 3.011541 3.757005 2.492119 1.416936 3.657449 3.756641 4.203112 5.011646 5.436483 5.354608 2.532241 0.000000 4.111862 3.721095 2.956822 2.463520 3.736918 2.469522 4.651025 4.500666 4.921680 5.473620 5.954660 5.643871 3.045848 1.418313 0.000000 4.085341 1.412993 4.356515 4.196779 2.969176 2.471924 4.413477 4.786786 5.043345 6.178987 6.437865 6.566080 3.772165 1.416512 2.421738 0.000000 2.799007 4.210774 4.268591 1.397104 4.905225 3.764148 5.962608 5.900329 6.168267 6.881735 7.253094 6.993569 4.446199 2.465614 1.412436 2.800578 0.000000 2.784076 2.406796 5.348617 3.703588 4.334840 3.764912 5.767071 6.119569 6.250608 7.454881 7.643048 7.753398 4.977404 2.470226 2.822726 1.401137 2.447407 0.000000 1.806375 3.693643 5.308845 2.410596 5.136812 4.262561 6.423963 6.585677 6.732776 7.754217 7.996578 7.934722 5.244757 2.845702 2.444998 2.419250 1.416787 1.405448 0.000000 9.025033 4.599304 4.547102 8.083214 2.131047 3.247068 1.104991 2.215228 2.189657 3.132295 2.969683 3.627741 3.342731 4.533723 5.646278 5.079683 6.922300 6.453032 7.258186 0.000000 8.752663 4.849469 3.009404 7.410921 2.807250 2.826671 2.187407 1.112159 3.514274 2.172276 3.900613 3.507896 2.136404 4.170076 5.035451 5.025428 6.387967 6.379860 6.961573 2.422600 0.000000 8.691378 5.172935 5.146666 7.681390 2.829322 3.794677 2.168683 3.520851 1.104927 4.023419 2.205576 3.509885 4.109787 4.709635 5.533841 5.299217 6.664415 6.449404 7.050997 2.423739 4.313344 0.000000 7.599634 4.880581 3.735804 6.161295 2.588552 2.812387 2.169532 2.923466 1.108184 3.392989 2.175353 2.775072 2.944115 3.607425 4.101514 4.551755 5.286984 5.630606 5.938404 3.073887 3.951681 1.773069 0.000000 9.572362 6.765373 2.680515 7.489174 4.510791 4.053192 3.542826 2.162503 3.963285 1.106386 3.507288 2.192143 2.713438 5.228522 5.482849 6.480894 6.856568 7.683870 7.842738 4.108136 2.566242 5.025987 4.141925 0.000000 10.480585 6.906563 4.020071 8.712005 4.382197 4.516149 3.044513 2.167155 3.512979 1.108009 2.863153 2.176708 3.502441 5.887837 6.478946 6.948612 7.891265 8.278876 8.689464 3.151106 2.386241 4.369822 4.150441 1.783313 0.000000 10.568307 6.984984 5.275898 9.034268 4.277571 4.926876 2.835418 3.291756 2.191099 2.797445 1.110139 2.184655 4.473569 6.176830 6.840828 7.081754 8.165385 8.354676 8.832883 2.819008 3.987646 2.554858 3.099050 3.835244 2.665653 0.000000 10.026978 7.225854 5.285764 8.326957 4.657177 5.054578 3.516183 4.011472 2.181464 3.511403 1.106259 2.192987 4.685385 6.044979 6.424223 7.034834 7.632737 8.140027 8.401261 3.929875 4.984424 2.523374 2.509476 4.356661 3.845340 1.778226 0.000000 8.925280 6.703958 3.156848 6.752599 4.310086 3.958169 3.381985 2.906261 2.774556 2.184258 2.179557 1.108401 3.060708 4.900702 4.942720 6.198935 6.229407 7.265924 7.274570 4.223127 3.936386 3.785269 2.552460 2.476113 3.088271 3.097351 2.527697 0.000000 10.646635 7.949903 4.458217 8.503601 5.337420 5.279870 4.039767 3.518698 3.503858 2.178379 2.195680 1.106410 4.275967 6.421969 6.622949 7.658930 7.952148 8.830964 8.956366 4.508447 4.315786 4.368550 3.778546 2.555617 2.455414 2.535763 2.523544 1.778114 0.000000 7.105499 2.352257 4.135072 6.657824 1.037174 2.040176 2.127561 2.859321 3.371052 4.359500 4.660062 5.023585 2.945098 2.901241 4.270038 3.025904 5.342570 4.397821 5.387071 2.311282 2.837875 3.591340 3.606012 4.993314 4.748638 4.899273 5.525426 5.186163 6.074074 0.000000 4.979526 4.603838 2.290891 2.727358 4.042198 2.684048 4.622620 4.217452 4.773405 4.922873 5.556700 5.017709 2.735273 2.164620 1.093898 3.410935 2.180654 3.916405 3.440568 5.684916 4.852597 5.542277 3.924079 4.796431 5.987926 6.494120 5.996346 4.212049 5.909107 4.691312 0.000000 2.934038 2.615845 6.360836 4.589268 4.979794 4.633379 6.470656 6.941866 6.999078 8.340822 8.453098 8.671618 5.908931 3.450693 3.915121 2.162547 3.444812 1.092640 2.181219 7.034416 7.118646 7.072493 6.456448 8.621873 9.102117 9.099800 8.951486 8.244145 9.763461 4.885482 5.008640 0.000000 3.982197 6.059200 4.444416 0.989525 6.202104 4.900732 6.929605 6.576018 6.928104 7.186023 7.687459 7.135488 5.079997 3.933117 2.522770 4.663827 1.978193 4.421668 3.248476 7.989080 7.171636 7.586053 5.951375 6.934129 8.272073 8.695899 7.942619 6.187260 7.916034 6.786746 2.362841 5.388187 0.000000 C13H14ClFN2O2 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 0 270.60270319999984 AuxInfo=1/0/N:12,11,10,9,18,15,8,19,16,7,14,17,13,1,2,5,6,4,3/CRV:5.3,6.3,8.3,9.3,11.3,12.3,13.3,19.1/rA:33ClFO1ONNCCCCCCC3C3C3C3C3C3C3HHHHHHHHHHHHHH/rB:;;;;s5;s5;s7;s7;s8;s9;s10s11;s3s6s8;s6;s14;s2s14;s4s15;s16;s1s17s18;s7;s8;s9;s9;s10;s10;s11;s11;s12;s12;s5;s15;s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.7606062 0.1699923 0.1538284 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= 10731 NPrTT= 54396 LenC2= 9385 LenP2D= 30554. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 226 RedAO= T EigKep= 3.11D-04 NBF= 226 NBsUse= 226 1.00D-06 EigRej= -1.00D+00 NBFU= 226 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= 220 220 220 220 220 MxSgAt= 33 MxSgA2= 33. 1 Closed 1 0 1 -1322.11346579541 -1321.96735584381 0.146109951604 -1322.32172295236 -0.354367108553 -1322.37203254392 -0.050309591556 -1322.45596469142 -0.083932147500 -1322.45881394231 -0.002849250891 -1322.45954503987 -0.000731097557 -1322.45960687034 -0.000061830476 -1322.45961682043 -0.000009950089 -1322.45985771358 -0.000240893148 -1322.45985741642 0.000000297164 -1322.45985810816 -0.000000691744 -1322.45985858700 -0.000000478845 -1322.45985868847 -0.000000101464 -1322.45985869157 -0.000000003102 -1322.45985869175 -0.000000000184 -1322.45985869180 -0.000000000048 -1322.45985869184 -0.000000000034 -1322.45985869 18 1.317100278652e+03 -6.237959189453e+03 2.033930367201e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep J ints in memory in canonical form, NReq=335023082. IVT= 174928 IEndB= 174928 NGot= 402653184 MDV= 73478531 LenX= 73478531 LenY= 73427014 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= 25651 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= 33. Will process 34 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=111111111111111111111111111111111 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= 402652624 using IRadAn= 2. Generate precomputed XC quadrature information. Keep J ints in memory in canonical form, NReq=334858050. 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= 25651 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Solving linear equations simultaneously, MaxMat= 0. There are 102 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 99 vectors produced by pass 0 Test12= 1.12D-14 1.00D-09 XBig12= 4.36D+02 1.26D+01. AX will form 99 AO Fock derivatives at one time. 99 vectors produced by pass 1 Test12= 1.12D-14 1.00D-09 XBig12= 1.42D+02 2.08D+00. 99 vectors produced by pass 2 Test12= 1.12D-14 1.00D-09 XBig12= 5.82D-01 1.13D-01. 99 vectors produced by pass 3 Test12= 1.12D-14 1.00D-09 XBig12= 6.91D-04 3.46D-03. 77 vectors produced by pass 4 Test12= 1.12D-14 1.00D-09 XBig12= 1.92D-07 4.33D-05. 14 vectors produced by pass 5 Test12= 1.12D-14 1.00D-09 XBig12= 2.06D-11 1.19D-06. 2 vectors produced by pass 6 Test12= 1.12D-14 1.00D-09 XBig12= 6.68D-15 1.45D-08. InvSVY: IOpt=1 It= 1 EMax= 3.20D-14 Solved reduced A of dimension 489 with 102 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 172.86 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 250.436 -0.560 162.055 13.998 1.219 106.086 401.503 -6.445 351.047 43.219 7.776 172.787 (Enter /mnt/data/applications/G09/g09/l716.exe) PT2415.700S Mon Oct 9 10:04:42 2017 -100.70726 -24.28800 -18.80823 -18.75702 -14.08247 -14.04435 -10.01601 -10.00258 -9.99289 -9.97977 -9.97603 -9.95389 -9.93603 -9.92993 -9.92902 -9.90514 -9.90125 -9.90062 -9.89830 -9.18608 -7.01229 -6.99805 -6.99735 -1.11574 -0.98965 -0.97851 -0.93055 -0.82773 -0.80162 -0.76560 -0.74936 -0.70746 -0.70070 -0.67760 -0.67524 -0.61092 -0.59217 -0.56576 -0.56160 -0.53877 -0.51661 -0.50411 -0.48810 -0.47683 -0.46473 -0.44538 -0.44077 -0.41975 -0.41449 -0.41017 -0.40037 -0.39672 -0.38439 -0.37692 -0.37503 -0.37130 -0.36754 -0.35176 -0.34318 -0.34083 -0.33081 -0.32535 -0.31492 -0.30987 -0.30523 -0.29089 -0.28302 -0.28180 -0.26920 -0.26534 -0.23809 -0.22038 -0.21089 -0.18969 -0.07034 -0.04785 -0.02777 -0.02329 0.01538 0.03560 0.04243 0.06893 0.07616 0.09086 0.09893 0.10089 0.10395 0.10898 0.12078 0.12687 0.13091 0.14399 0.15001 0.15392 0.16170 0.16406 0.16920 0.17934 0.18755 0.19411 0.20129 0.21202 0.21312 0.21842 0.22405 0.22978 0.23464 0.23923 0.24656 0.26107 0.27975 0.28105 0.29267 0.29615 0.30538 0.31190 0.31312 0.32473 0.33438 0.34383 0.34503 0.35493 0.35854 0.36507 0.36742 0.37622 0.38337 0.38679 0.38926 0.39745 0.40441 0.41001 0.41630 0.42271 0.43925 0.45401 0.45972 0.46769 0.48621 0.48749 0.49515 0.49697 0.51186 0.52347 0.54143 0.55053 0.55427 0.58006 0.58868 0.60300 0.62118 0.63774 0.65880 0.66521 0.68935 0.69950 0.70395 0.71360 0.73475 0.74148 0.76326 0.77655 0.79133 0.82100 0.83635 0.84601 0.86416 0.87825 0.90437 0.91446 0.93567 0.94839 0.95850 0.97218 0.97864 0.98862 0.99466 1.00001 1.02542 1.03860 1.04910 1.05208 1.07694 1.09826 1.10868 1.11776 1.12299 1.14469 1.16122 1.17361 1.18761 1.22491 1.25151 1.28097 1.33790 1.37009 1.39273 1.43439 1.50851 1.55196 1.69498 1.71263 1.93687 5.87508 5.90742 5.90981 8.81862 22.23340 22.42567 22.48492 22.50196 22.56605 22.58874 22.61132 22.62261 22.65589 22.66305 22.66770 22.67569 22.75315 31.47601 31.50442 41.50533 41.55004 52.98040 217.72156 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 Cl F O O N N 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 -0.003778 -0.203498 -0.236880 -0.406762 -0.240556 -0.293747 -0.214516 -0.230800 -0.404397 -0.432352 -0.376567 -0.408336 0.128104 0.425737 -0.476026 0.151110 0.437519 -0.338414 -0.308599 0.250596 0.255012 0.224724 0.211439 0.237345 0.203058 0.188519 0.207523 0.213669 0.209816 0.289498 0.292175 0.281481 0.367903 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 Cl F O O N N C C C C C C C C C C C C C -0.003778 -0.203498 -0.236880 -0.038858 0.048942 -0.293747 0.036080 0.024212 0.031766 0.008050 0.019475 0.015149 0.128104 0.425737 -0.183851 0.151110 0.437519 -0.056933 -0.308599 0.00000 -1.86527999e+00 3.56473825e-01 7.60395511e-02 2.50435664e+02 -5.59749389e-01 1.62055405e+02 1.39978387e+01 1.21862553e+00 1.06086147e+02 -5.3172 -0.0004 0.0017 0.0018 5.3275 14.0281 32.6542 38.8106 68.3431 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 32.4026 38.4684 68.3247 101.4650 115.4326 136.5140 164.9785 203.9226 211.7986 218.0197 251.5516 280.2172 303.2153 309.0490 330.7987 346.4199 358.0502 392.4031 408.9889 441.3390 443.2392 462.4182 490.8577 511.3715 547.9129 578.0562 627.1278 647.8492 671.9271 680.8153 694.4994 743.0215 757.8645 779.0446 807.3344 813.9482 829.0696 851.5046 860.8450 878.9072 913.2090 929.5476 965.8410 983.1728 1007.1451 1060.9656 1065.8569 1081.3826 1083.4357 1109.6992 1113.3572 1129.3218 1162.4093 1184.7620 1205.3254 1223.3867 1239.0390 1245.5816 1257.7628 1274.3187 1298.0860 1308.9285 1311.9657 1336.2744 1344.8080 1349.1336 1354.1359 1359.4819 1385.9374 1398.7841 1422.0357 1458.7601 1463.8422 1471.2408 1475.5786 1509.4052 1599.5043 1611.7549 1627.3004 2949.4135 2969.2431 2981.7956 2986.5407 2988.3555 3030.7820 3039.0345 3040.5025 3051.5490 3060.9005 3161.4899 3186.5412 3338.8842 3585.1192 6.1734 5.5551 6.0835 4.9291 6.8466 3.7930 5.4590 5.7832 9.5826 4.9864 3.5583 6.8275 7.2722 7.0547 1.9087 1.1343 2.7473 9.5686 3.9669 3.4344 5.6721 3.7820 5.3594 5.0688 2.7986 4.0023 4.6267 9.3199 7.5966 3.7229 4.7177 2.8460 6.2550 2.3789 1.8297 2.9413 1.6920 1.4054 2.5979 2.3144 1.6219 2.5677 2.2791 4.1965 2.0899 2.2791 2.3733 1.9877 1.5053 2.0417 1.2342 2.1812 2.6950 1.8201 1.5553 1.5488 2.0560 1.3088 1.4926 1.4102 1.5593 1.6048 1.3889 1.4517 1.4757 2.3260 2.1509 1.5050 7.4016 5.5263 1.3558 1.0850 1.0907 1.0824 1.0931 3.6809 7.7545 7.9627 11.3401 1.0802 1.0651 1.0613 1.0645 1.0635 1.0880 1.0956 1.0992 1.1027 1.1005 1.0922 1.0932 1.0764 1.0662 0.0038 0.0048 0.0167 0.0299 0.0538 0.0416 0.0875 0.1417 0.2533 0.1396 0.1327 0.3159 0.3939 0.3970 0.1231 0.0802 0.2075 0.8681 0.3909 0.3941 0.6565 0.4765 0.7608 0.7810 0.4950 0.7879 1.0721 2.3047 2.0208 1.0167 1.3407 0.9257 2.1167 0.8506 0.7027 1.1481 0.6852 0.6004 1.1343 1.0534 0.7969 1.3072 1.2527 2.3900 1.2490 1.5115 1.5885 1.3695 1.0411 1.4814 0.9014 1.6390 2.1455 1.5052 1.3313 1.3658 1.8597 1.1964 1.3912 1.3493 1.5480 1.6199 1.4086 1.5273 1.5724 2.4944 2.3237 1.6388 8.3765 6.3707 1.6153 1.3604 1.3770 1.3804 1.4023 4.9410 11.6889 12.1874 17.6930 5.5365 5.5327 5.5596 5.5944 5.5956 5.8882 5.9615 5.9870 6.0500 6.0747 6.4318 6.5399 7.0699 8.0738 1.0448 1.8512 0.6960 2.4929 0.4127 2.1850 1.0901 1.7737 2.5152 1.8853 4.6245 3.5921 6.0395 2.6094 8.3400 136.8950 8.0568 0.0975 1.1789 14.8617 5.4887 4.8127 11.6626 3.1705 0.9055 11.4501 12.3397 0.1772 10.4150 1.1487 4.5691 6.1157 62.0472 9.8274 54.5472 13.5233 17.5333 55.9107 0.3716 24.8699 2.3640 4.3785 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