Gaussian 09 GINC-KIMIK2024 CBGUSER 000265159 EM64L-G09RevD.01 5-Mar-2018 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #popt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInputnosymm 220.1366999999999 0 1 AuxInfo=1/0/N:15,17,9,10,7,8,13,14,11,12,16,5,6,4,1,2,3/E:(7,8)(15,16)/CRV:11.3,14.1/rA:39OOOO1CCCCCCCCCCCC3CHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s1s2s5;s5;s6;s7;s8s9;s5;s3s11;s1;s2s13;s12;s3s4;s16;s5;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s13;s13;s14;s14;s15;s15;s15;s17;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-27060.inp" -scrdir="/scratch/" chk=000265159.chk nprocshared=4 mem=7GB #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 000265159 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 16 16 16 16 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 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 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 (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 1 1 2 2 3 3 4 5 5 5 5 6 7 7 7 8 8 8 9 9 9 10 10 11 11 11 12 12 13 13 13 14 14 15 15 15 16 17 17 17 6 13 6 14 12 16 16 6 7 11 18 8 9 19 20 10 21 22 10 23 24 25 26 12 27 28 15 29 14 30 31 32 33 34 35 36 17 37 38 39 1.4513 1.4435 1.446 1.4441 1.4809 1.37 1.2106 1.5441 1.5389 1.5365 1.1207 1.533 1.5335 1.107 1.1088 1.5314 1.1055 1.1079 1.5343 1.1068 1.1063 1.1094 1.1055 1.5266 1.1142 1.1086 1.5198 1.1139 1.5351 1.1021 1.1017 1.1018 1.1019 1.0969 1.0993 1.0956 1.4904 1.1019 1.1007 1.1007 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 6 6 12 6 6 6 7 7 11 1 1 1 2 2 5 5 5 5 9 9 19 6 6 6 10 10 21 7 7 7 10 10 23 8 8 8 9 9 25 5 5 5 12 12 27 3 3 3 11 11 15 1 1 1 14 14 30 2 2 2 13 13 32 12 12 12 34 34 35 3 3 4 16 16 16 37 37 38 1 2 3 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 17 17 17 17 17 17 13 14 16 7 11 18 11 18 18 2 5 8 5 8 8 9 19 20 19 20 20 10 21 22 21 22 22 10 23 24 23 24 24 9 25 26 25 26 26 12 27 28 27 28 28 11 15 29 15 29 29 14 30 31 30 31 31 13 32 33 32 33 33 34 35 36 35 36 36 4 17 17 37 38 39 38 39 39 110.0709 109.9081 118.4721 109.3444 110.2591 106.9287 112.2296 109.5577 108.3738 105.3249 107.8818 108.2958 109.5203 110.6823 114.6704 111.3483 109.7742 109.4511 110.0619 109.8188 106.255 111.138 109.6959 108.688 110.363 110.8678 105.942 110.8785 110.1034 109.7864 110.1036 109.8999 105.9523 111.3632 109.2244 109.8834 109.6434 110.2455 106.3489 112.952 108.4073 109.822 109.2784 110.5006 105.5929 102.991 107.2266 107.4245 113.7197 113.121 111.6111 105.436 105.162 106.9582 114.2711 113.8455 110.3843 105.4027 107.2559 104.897 113.7425 114.3807 110.3805 111.6687 110.8024 111.6644 107.1881 107.8893 107.4105 122.2048 109.2246 128.5696 112.2665 110.6829 110.7129 107.8116 107.9735 107.1974 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 13 13 13 6 6 6 14 14 14 6 6 6 16 16 16 12 12 7 7 7 11 11 11 18 18 18 6 6 6 11 11 11 18 18 18 6 6 6 7 7 7 18 18 18 1 1 1 2 2 2 5 5 5 5 5 5 19 19 19 20 20 20 6 6 6 21 21 21 22 22 22 7 7 7 23 23 23 24 24 24 5 5 5 27 27 27 28 28 28 3 3 3 11 11 11 29 29 29 1 1 1 30 30 30 31 31 31 3 3 3 4 4 4 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 16 16 16 16 16 16 6 6 6 13 13 13 6 6 6 14 14 14 12 12 12 16 16 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 11 11 11 11 11 11 11 11 11 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 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 12 12 12 15 15 15 15 15 15 15 15 15 14 14 14 14 14 14 14 14 14 17 17 17 17 17 17 2 5 8 14 30 31 1 5 8 13 32 33 11 15 29 4 17 1 2 8 1 2 8 1 2 8 9 19 20 9 19 20 9 19 20 12 27 28 12 27 28 12 27 28 10 21 22 10 21 22 10 21 22 10 23 24 10 23 24 10 23 24 9 25 26 9 25 26 9 25 26 8 25 26 8 25 26 8 25 26 3 15 29 3 15 29 3 15 29 34 35 36 34 35 36 34 35 36 2 32 33 2 32 33 2 32 33 37 38 39 37 38 39 18.467 135.3687 -99.9778 -10.0353 -131.1426 111.4759 -20.0204 -135.8019 96.8113 13.9025 -107.6235 134.9906 154.3692 -85.3824 34.7142 -0.7052 179.6384 173.1002 -72.7563 52.3573 -63.053 51.0905 176.2042 54.5643 168.7078 -66.1785 -55.2277 -177.3619 66.3795 -177.9065 59.9593 -56.2993 61.6583 -60.476 -176.7345 171.87 50.6174 -64.2864 -65.9697 172.7777 57.8739 55.1487 -66.1039 178.9923 -172.0347 65.6449 -49.7625 72.9817 -49.3387 -164.7461 -51.5202 -173.8407 70.752 59.0172 -63.0797 -179.3564 -179.0151 58.888 -57.3887 -62.376 175.5272 59.2504 52.6633 -68.5809 175.1156 174.5964 53.3522 -62.9513 -68.3365 170.4193 54.1158 -57.1799 63.8195 -179.4233 64.9168 -174.0838 -57.3267 -178.7397 -57.7403 59.0168 -79.5611 164.7592 36.0752 41.1968 -74.4829 156.8331 156.9694 41.2897 -87.3942 -54.1816 65.2313 -175.0778 58.9787 178.3916 -61.9175 -171.5719 -52.159 67.5319 -2.2969 114.9174 -116.9817 112.6737 -130.1121 -2.0112 -119.2252 -2.011 126.09 3.6693 -116.8537 124.4201 -175.9589 63.5181 -55.2081 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 234 234 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 39 39 39 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= 53724 LenC2= 9838 LenP2D= 31886. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 214 RedAO= T EigKep= 1.27D-03 NBF= 214 NBsUse= 214 1.00D-06 EigRej= -1.00D+00 NBFU= 214 Using GEDIIS/GDIIS optimizer. local minimum Step number 20 out of a maximum of 234 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00110 0.00289 0.00366 0.00408 0.00492 0.00531 0.00615 0.00640 0.00659 0.01001 0.01892 0.01993 0.02193 0.03463 0.03505 0.03816 0.04084 0.04092 0.04264 0.04354 0.04701 0.04756 0.04851 0.04865 0.04912 0.05064 0.05225 0.05317 0.05524 0.05618 0.05644 0.05741 0.05890 0.06346 0.06772 0.07373 0.07644 0.07855 0.08042 0.08067 0.08146 0.08190 0.08419 0.08530 0.08639 0.09118 0.10326 0.10931 0.11175 0.11546 0.12066 0.12247 0.12417 0.13321 0.15648 0.15733 0.15956 0.16006 0.16061 0.16113 0.16502 0.16772 0.17654 0.18614 0.19172 0.20772 0.22021 0.23933 0.24461 0.25169 0.26246 0.27264 0.27503 0.27617 0.28093 0.28899 0.29245 0.29454 0.29732 0.30128 0.31320 0.31554 0.31717 0.32319 0.32532 0.32665 0.32771 0.32796 0.32875 0.32941 0.32994 0.33017 0.33087 0.33293 0.33463 0.33487 0.33511 0.33551 0.33624 0.33629 0.33677 0.33721 0.33900 0.34095 0.34252 0.34970 0.35608 0.37650 0.40662 0.51057 0.92437 RFO step: Lambda=-7.83907526D-08. 1 2 0.00134189 0.00000098 0.00000095 0.00000060 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 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 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 2.82970 2.79391 2.80993 2.78988 2.85694 2.63834 2.37002 2.92212 2.93626 2.92189 2.09575 2.90677 2.92398 2.09047 2.09474 2.92172 2.09028 2.09266 2.92060 2.09760 2.09179 2.09308 2.09145 2.89867 2.09143 2.09223 2.89871 2.08887 2.91097 2.09355 2.08359 2.09461 2.08098 2.08740 2.08477 2.08909 2.86263 2.07932 2.08922 2.08141 1.88593 1.85363 2.04386 1.91071 1.94015 1.84864 1.98464 1.89263 1.88123 1.84225 1.93680 1.88221 1.89519 1.93400 1.96941 1.95189 1.91613 1.89902 1.91110 1.91179 1.87215 1.94449 1.90184 1.88215 1.93801 1.92639 1.86849 1.94026 1.90650 1.91821 1.91014 1.92240 1.86472 1.93673 1.89953 1.91554 1.90683 1.93116 1.87265 2.00034 1.89622 1.90599 1.89473 1.88399 1.87907 1.85151 1.89166 1.86396 1.98133 1.95430 1.91525 1.80558 1.92336 1.88129 1.94331 1.98539 1.92043 1.79051 1.93383 1.86992 1.94709 1.99582 1.92109 1.93144 1.93406 1.91813 1.90266 1.89083 1.88559 2.15700 1.93293 2.19314 1.94137 1.90540 1.91337 1.89081 1.93075 1.88084 -0.00535 2.04456 -2.07339 0.38736 -1.69180 2.49537 -0.40169 -2.47945 1.63144 0.63427 -1.44588 2.74141 2.65890 -1.49074 0.57165 -0.03399 3.09209 3.07342 -1.19244 0.95872 -1.00259 1.01473 -3.11729 1.03614 3.05346 -1.07856 -0.96640 -3.09141 1.14778 3.13515 1.01015 -1.03385 1.04290 -1.08211 -3.12610 3.07054 0.94815 -1.09685 -1.04685 3.11394 1.06894 1.05185 -1.07055 -3.11555 -3.10848 1.03046 -0.99197 1.16640 -0.97785 -3.00027 -0.96305 -3.10730 1.15346 0.98674 -1.12293 3.11969 3.11464 1.00497 -1.03559 -1.12003 3.05348 1.01292 0.94866 -1.15014 3.08849 3.07205 0.97325 -1.07131 -1.14186 3.04253 0.99797 -0.96382 1.13063 -3.09458 1.14371 -3.04502 -0.98705 -3.09435 -0.99989 1.05808 -1.02057 -3.09599 1.00655 1.10264 -0.97278 3.12976 3.13479 1.05937 -1.12128 -1.02766 1.08517 -3.11526 1.02458 3.13741 -1.06302 -3.05713 -0.94430 1.13845 -0.62377 1.44707 -2.64184 1.44160 -2.77075 -0.57647 -2.65966 -0.58882 1.60546 0.40515 -1.68047 2.54610 -2.75235 1.44521 -0.61141 -0.00007 -0.00001 0.00003 -0.00003 -0.00001 0.00002 0.00001 0.00001 -0.00003 0.00004 0.00001 0.00003 0.00000 0.00000 0.00000 -0.00002 0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00002 0.00001 -0.00001 0.00000 0.00002 -0.00001 0.00000 0.00000 0.00000 0.00001 -0.00001 0.00000 0.00000 0.00001 -0.00001 0.00001 0.00001 0.00000 0.00000 -0.00001 -0.00001 0.00001 0.00000 0.00000 0.00000 -0.00002 0.00002 0.00001 0.00000 -0.00001 0.00001 0.00000 0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00001 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 -0.00001 -0.00001 0.00001 0.00000 0.00001 -0.00002 0.00000 0.00001 0.00000 0.00000 0.00001 -0.00001 -0.00001 -0.00002 0.00002 0.00001 -0.00002 0.00000 0.00002 0.00000 0.00000 -0.00001 -0.00001 0.00001 0.00002 -0.00001 0.00000 -0.00001 0.00000 -0.00001 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-0.00001 0.00000 -0.00007 0.00001 0.00001 0.00003 -0.00001 0.00000 0.00000 -0.00001 0.00002 -0.00001 -0.00001 -0.00002 -0.00003 -0.00005 0.00007 -0.00003 0.00001 0.00002 -0.00001 0.00002 0.00000 0.00000 0.00002 0.00001 -0.00005 0.00016 0.00014 -0.00006 0.00010 -0.00003 -0.00012 0.00016 -0.00011 -0.00002 -0.00001 0.00010 0.00011 0.00004 -0.00024 0.00001 0.00003 0.00004 0.00004 -0.00004 -0.00007 0.00000 -0.00003 -0.00009 0.00002 0.00010 0.00003 -0.00004 0.00002 0.00001 -0.00002 0.00000 0.00001 -0.00002 0.00002 0.00007 -0.00004 -0.00003 -0.00001 0.00000 0.00009 0.00002 -0.00007 0.00004 -0.00003 -0.00005 0.00014 -0.00034 -0.00005 0.00014 -0.00002 0.00010 0.00001 0.00003 -0.00002 -0.00020 0.00021 -0.00001 0.00008 -0.00004 0.00022 -0.00001 -0.00011 -0.00012 0.00002 0.00001 0.00012 -0.00007 -0.00003 -0.00005 0.00002 -0.00003 0.00001 -0.00002 -0.00003 -0.00004 -0.00017 0.00011 0.00016 -0.00109 -0.00100 -0.00085 0.00059 0.00081 0.00083 0.00116 0.00103 0.00116 -0.00083 -0.00085 -0.00082 -0.00181 -0.00175 -0.00184 0.00018 0.00003 0.00006 0.00013 -0.00015 0.00032 0.00039 0.00011 0.00021 0.00028 0.00000 0.00021 0.00022 0.00017 0.00006 0.00006 0.00002 0.00006 0.00007 0.00002 0.00034 0.00022 0.00030 0.00057 0.00045 0.00053 0.00052 0.00040 0.00048 -0.00017 -0.00021 -0.00013 -0.00009 -0.00014 -0.00006 0.00003 -0.00001 0.00007 -0.00015 -0.00017 -0.00014 -0.00011 -0.00013 -0.00010 -0.00018 -0.00020 -0.00017 0.00009 0.00007 0.00005 0.00002 0.00001 -0.00001 0.00006 0.00004 0.00002 -0.00003 0.00004 0.00002 0.00000 0.00007 0.00005 -0.00002 0.00005 0.00002 0.00054 0.00078 0.00056 0.00065 0.00090 0.00067 0.00060 0.00084 0.00062 -0.00042 -0.00049 -0.00048 -0.00038 -0.00046 -0.00044 -0.00023 -0.00030 -0.00028 0.00013 0.00013 -0.00012 0.00007 0.00007 -0.00019 0.00005 0.00005 -0.00021 0.00374 0.00398 0.00383 0.00358 0.00383 0.00368 2.82924 2.79374 2.81035 2.78976 2.85706 2.63831 2.37006 2.92218 2.93619 2.92197 2.09578 2.90678 2.92398 2.09046 2.09474 2.92165 2.09029 2.09267 2.92063 2.09760 2.09178 2.09309 2.09143 2.89869 2.09142 2.09221 2.89869 2.08884 2.91092 2.09362 2.08356 2.09461 2.08101 2.08739 2.08479 2.08909 2.86263 2.07934 2.08924 2.08136 1.88608 1.85377 2.04379 1.91081 1.94012 1.84852 1.98480 1.89253 1.88121 1.84225 1.93690 1.88232 1.89522 1.93376 1.96942 1.95193 1.91617 1.89907 1.91105 1.91172 1.87215 1.94446 1.90175 1.88217 1.93810 1.92642 1.86845 1.94029 1.90651 1.91819 1.91013 1.92240 1.86470 1.93674 1.89959 1.91550 1.90679 1.93115 1.87265 2.00043 1.89624 1.90592 1.89476 1.88396 1.87903 1.85165 1.89133 1.86391 1.98146 1.95428 1.91535 1.80559 1.92339 1.88127 1.94310 1.98560 1.92042 1.79059 1.93379 1.87014 1.94708 1.99571 1.92097 1.93146 1.93406 1.91825 1.90259 1.89080 1.88554 2.15702 1.93290 2.19315 1.94136 1.90537 1.91333 1.89064 1.93086 1.88099 -0.00644 2.04356 -2.07424 0.38796 -1.69099 2.49619 -0.40053 -2.47842 1.63260 0.63344 -1.44673 2.74059 2.65708 -1.49249 0.56981 -0.03380 3.09212 3.07348 -1.19231 0.95857 -1.00227 1.01512 -3.11718 1.03634 3.05374 -1.07857 -0.96619 -3.09119 1.14795 3.13521 1.01021 -1.03383 1.04296 -1.08204 -3.12608 3.07088 0.94837 -1.09654 -1.04628 3.11439 1.06948 1.05236 -1.07015 -3.11506 -3.10865 1.03024 -0.99210 1.16631 -0.97798 -3.00033 -0.96302 -3.10732 1.15353 0.98659 -1.12310 3.11955 3.11453 1.00484 -1.03569 -1.12021 3.05328 1.01275 0.94875 -1.15007 3.08855 3.07207 0.97325 -1.07132 -1.14180 3.04257 0.99800 -0.96385 1.13068 -3.09456 1.14371 -3.04495 -0.98700 -3.09437 -0.99984 1.05810 -1.02003 -3.09521 1.00711 1.10329 -0.97189 3.13043 3.13539 1.06021 -1.12066 -1.02807 1.08468 -3.11574 1.02420 3.13695 -1.06346 -3.05735 -0.94460 1.13817 -0.62364 1.44720 -2.64196 1.44167 -2.77067 -0.57666 -2.65961 -0.58876 1.60526 0.40889 -1.67649 2.54993 -2.74877 1.44903 -0.60773 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000072 0.000011 0.008481 0.001342 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -2.990405e-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 1 1 2 2 3 3 4 5 5 5 5 6 7 7 7 8 8 8 9 9 9 10 10 11 11 11 12 12 13 13 13 14 14 15 15 15 16 17 17 17 6 13 6 14 12 16 16 6 7 11 18 8 9 19 20 10 21 22 10 23 24 25 26 12 27 28 15 29 14 30 31 32 33 34 35 36 17 37 38 39 1.4974 1.4785 1.487 1.4763 1.5118 1.3962 1.2542 1.5463 1.5538 1.5462 1.109 1.5382 1.5473 1.1062 1.1085 1.5461 1.1061 1.1074 1.5455 1.11 1.1069 1.1076 1.1067 1.5339 1.1067 1.1072 1.5339 1.1054 1.5404 1.1079 1.1026 1.1084 1.1012 1.1046 1.1032 1.1055 1.5148 1.1003 1.1056 1.1014 -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 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 6 6 12 6 6 6 7 7 11 1 1 1 2 2 5 5 5 5 9 9 19 6 6 6 10 10 21 7 7 7 10 10 23 8 8 8 9 9 25 5 5 5 12 12 27 3 3 3 11 11 15 1 1 1 14 14 30 2 2 2 13 13 32 12 12 12 34 34 35 3 3 4 16 16 16 37 37 38 1 2 3 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 17 17 17 17 17 17 13 14 16 7 11 18 11 18 18 2 5 8 5 8 8 9 19 20 19 20 20 10 21 22 21 22 22 10 23 24 23 24 24 9 25 26 25 26 26 12 27 28 27 28 28 11 15 29 15 29 29 14 30 31 30 31 31 13 32 33 32 33 33 34 35 36 35 36 36 4 17 17 37 38 39 38 39 39 108.0557 106.2053 117.1044 109.4755 111.1622 105.9194 113.7117 108.4399 107.7867 105.5534 110.9705 107.8429 108.5862 110.81 112.839 111.8351 109.7862 108.806 109.4979 109.5374 107.2663 111.411 108.9674 107.8392 111.0397 110.3738 107.0567 111.1689 109.2344 109.9053 109.4428 110.1453 106.8405 110.9664 108.8348 109.7524 109.2531 110.6473 107.2949 114.6108 108.6452 109.2052 108.5598 107.9447 107.6628 106.0837 108.3844 106.797 113.5216 111.973 109.7356 103.452 110.2005 107.7902 111.3432 113.7547 110.0327 102.5886 110.8002 107.1385 111.5599 114.3519 110.0705 110.6634 110.8132 109.9006 109.0145 108.3366 108.0364 123.5869 110.7487 125.6578 111.2326 109.1713 109.6282 108.3354 110.6237 107.764 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 13 13 13 6 6 6 14 14 14 6 6 6 16 16 16 12 12 7 7 7 11 11 11 18 18 18 6 6 6 11 11 11 18 18 18 6 6 6 7 7 7 18 18 18 1 1 1 2 2 2 5 5 5 5 5 5 19 19 19 20 20 20 6 6 6 21 21 21 22 22 22 7 7 7 23 23 23 24 24 24 5 5 5 27 27 27 28 28 28 3 3 3 11 11 11 29 29 29 1 1 1 30 30 30 31 31 31 3 3 3 4 4 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 16 16 16 16 16 6 6 6 13 13 13 6 6 6 14 14 14 12 12 12 16 16 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 11 11 11 11 11 11 11 11 11 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 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 12 12 12 15 15 15 15 15 15 15 15 15 14 14 14 14 14 14 14 14 14 17 17 17 17 17 2 5 8 14 30 31 1 5 8 13 32 33 11 15 29 4 17 1 2 8 1 2 8 1 2 8 9 19 20 9 19 20 9 19 20 12 27 28 12 27 28 12 27 28 10 21 22 10 21 22 10 21 22 10 23 24 10 23 24 10 23 24 9 25 26 9 25 26 9 25 26 8 25 26 8 25 26 8 25 26 3 15 29 3 15 29 3 15 29 34 35 36 34 35 36 34 35 36 2 32 33 2 32 33 2 32 33 37 38 39 37 38 -0.3066 117.1444 -118.7962 22.1944 -96.9332 142.974 -23.0151 -142.0619 93.4745 36.341 -82.8425 157.0711 152.3436 -85.4129 32.7529 -1.9473 177.1635 176.094 -68.3217 54.9307 -57.4445 58.1399 -178.6077 59.3662 174.9505 -61.7971 -55.3709 -177.1249 65.7627 179.6311 57.8771 -59.2353 59.7538 -62.0002 -179.1126 175.9291 54.3249 -62.8448 -59.9802 178.4156 61.2459 60.2663 -61.3379 -178.5076 -178.1027 59.0408 -56.8355 66.83 -56.0265 -171.9028 -55.1789 -178.0353 66.0883 56.536 -64.3394 178.7453 178.4558 57.5804 -59.3349 -64.1731 174.9515 58.0362 54.3541 -65.8982 176.9575 176.0153 55.7629 -61.3813 -65.4237 174.324 57.1797 -55.2229 64.7806 -177.3064 65.5298 -174.4667 -56.5537 -177.293 -57.2895 60.6235 -58.4742 -177.3871 57.6709 63.1767 -55.7363 179.3218 179.6104 60.6974 -64.2445 -58.8804 62.1758 -178.4913 58.7042 179.7604 -60.9067 -175.1605 -54.1043 65.2285 -35.7397 82.911 -151.3663 82.5973 -158.752 -33.0293 -152.3873 -33.7366 91.9861 23.2136 -96.284 145.8807 -157.6981 82.8043 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0 220.1366999999999 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3.780215 3.799676 2.484777 5.939319 7.566143 8.173656 7.268603 1.797582 0.000000 5.548951 5.171452 3.437790 4.134795 4.284011 5.283840 4.765526 6.703252 6.304543 7.017802 2.828333 2.174746 5.595183 5.888277 1.105498 4.181459 5.516014 4.795780 4.509126 4.639742 7.430862 7.060903 6.671977 6.830865 7.010713 8.093800 3.127837 2.606381 2.543839 4.805533 6.555301 6.963481 5.812730 1.791818 1.787299 0.000000 5.717114 6.918754 2.468478 3.319230 4.546584 5.699871 5.172898 6.203252 5.700695 6.661819 4.617259 3.972834 6.924783 7.760488 4.776539 2.170888 1.100329 3.628376 4.710205 6.144447 7.161013 5.597861 5.007626 6.413767 7.488339 7.220724 4.615873 5.688283 4.363488 6.795001 7.528753 8.384215 8.492366 4.764180 4.764493 5.828052 0.000000 7.014105 8.043259 2.953363 2.944350 5.710250 7.005416 6.249036 7.719041 7.019835 8.109794 5.366651 4.297549 8.039187 8.893061 4.598288 2.148716 1.105568 4.991765 5.588955 7.083218 8.692972 7.233814 6.446342 7.622343 8.828406 8.757954 5.374640 6.323421 4.629218 7.693529 8.693696 9.649555 9.479052 4.594536 4.204072 5.683420 1.788398 0.000000 7.152249 7.950099 3.268834 2.688210 5.492025 6.842569 5.657836 7.268371 6.139892 7.379120 5.566913 4.573675 8.350989 8.990816 5.321472 2.151476 1.101437 4.715297 4.893808 6.585934 8.314708 6.742266 5.438434 6.582461 8.164684 7.886830 5.843815 6.522814 4.567759 8.197624 9.066630 9.635885 9.662596 5.596396 4.986934 6.322051 1.810428 1.782830 0.000000 0.7144078 0.2761186 0.2366626 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= 210 210 210 210 211 MxSgAt= 39 MxSgA2= 39. 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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= 53724 LenC2= 9827 LenP2D= 31879. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 214 RedAO= T EigKep= 1.33D-03 NBF= 214 NBsUse= 214 1.00D-06 EigRej= -1.00D+00 NBFU= 214 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= 211 211 211 211 212 MxSgAt= 39 MxSgA2= 39. 1 Closed 1 0 1 -808.032632236453 -808.174936367439 -0.142304130985 -808.317039744220 -0.142103376782 -807.239311686719 1.077728057501 -808.303271362006 -1.063959675286 -808.432140991482 -0.128869629477 -808.432876014056 -0.000735022573 -808.433212090379 -0.000336076323 -808.433250931353 -0.000038840974 -808.433253561681 -0.000002630328 -808.433314107826 -0.000060546145 -808.433314326297 -0.000000218472 -808.433314331849 -0.000000005552 -808.433314447390 -0.000000115541 -808.433314467889 -0.000000020499 -808.433314468501 -0.000000000613 -808.433314468527 -0.000000000026 -808.433314468565 -0.000000000038 -808.433314469 18 8.052767031667e+02 -4.580965033103e+03 1.621230047970e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=269754179. IVT= 158584 IEndB= 158584 NGot= 939524096 MDV= 674738998 LenX= 674738998 LenY= 674692761 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= 23005 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. 1.07320597e+00 -7.36474867e-01 3.13358113e-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 8 8 8 8 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 -0.017156004 0.001978484 0.013962345 -0.006977228 0.010902161 -0.021730841 0.012710862 -0.010252936 0.010225511 -0.038040804 0.041368681 -0.039819556 0.000313329 0.001617659 0.001901971 -0.004141485 0.009015426 0.011387876 -0.005081186 0.002671526 -0.002726473 0.000922416 0.004103666 0.003039496 -0.000742672 0.007530217 -0.004341465 0.007154891 0.006416888 -0.002062480 0.007258500 -0.006980672 -0.001984888 0.005004942 -0.001688829 -0.001818374 0.000803466 -0.008796662 0.011801753 0.009484279 -0.005108702 -0.009923901 -0.007993246 -0.000679783 -0.005959274 0.023750795 -0.027677504 0.031276479 -0.005234723 -0.003290896 0.018817711 0.004444344 -0.001322877 -0.005157015 0.000534504 0.001091971 0.000390235 0.001175329 -0.000686826 0.000776684 0.000987131 -0.002530633 -0.000545201 -0.002589664 0.000136458 -0.001600024 -0.000655748 -0.000857050 0.002218249 0.000515767 0.000657352 -0.000720672 -0.001494045 -0.000492906 0.000008994 0.000774224 0.000921243 0.000677775 -0.004099281 0.003625376 -0.002779259 -0.001311725 0.003912655 -0.000479676 0.000800852 -0.006440698 -0.000752470 0.005043281 -0.005090120 -0.001202811 0.006000087 -0.005904231 -0.001236034 0.004794192 -0.005865644 0.002903116 0.003909243 -0.004995637 0.002512610 0.003298246 -0.003903310 0.003492292 -0.003224239 0.001627837 -0.000548868 0.003511984 0.001234239 -0.005141674 0.000626088 0.000749817 -0.003181386 -0.003256237 0.000235613 -0.001232457 -0.001820463 0.002768649 -0.000448301 0.041368681 0.009533623 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 0 1 -808.449116275987 -808.449257258421 -0.000140982434 -808.449256115988 0.000001142434 -808.449417799753 -0.000161683765 -808.449414983086 0.000002816667 -808.449418450744 -0.000003467658 -808.449418447958 0.000000002786 -808.449418471171 -0.000000023213 -808.449418472425 -0.000000001255 -808.449418472548 -0.000000000123 -808.449418472534 0.000000000014 -808.449418473 11 8.044952118163e+02 -4.558781202596e+03 1.610630055383e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=269754179. IVT= 158584 IEndB= 158584 NGot= 939524096 MDV= 674738998 LenX= 674738998 LenY= 674692761 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= 23005 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 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 -18.795197 -18.770656 -18.763932 -18.751944 -10.023652 -9.993881 -9.954245 -9.953560 -9.951524 -9.903351 -9.897812 -9.889575 -9.889035 -9.886897 -9.886653 -9.886648 -9.885208 -0.996301 -0.978841 -0.919982 -0.892283 -0.758661 -0.724535 -0.693821 -0.682080 -0.666269 -0.638392 -0.604857 -0.571932 -0.561618 -0.537158 -0.522461 -0.491958 -0.480707 -0.453654 -0.442396 -0.436546 -0.417960 -0.413718 -0.409050 -0.397631 -0.391593 -0.385575 -0.381691 -0.367433 -0.363318 -0.361608 -0.357086 -0.347286 -0.342921 -0.336668 -0.323539 -0.320937 -0.308852 -0.308103 -0.301074 -0.288185 -0.284705 -0.279284 -0.269216 -0.266141 -0.261453 -0.247489 -0.220421 -0.217015 -0.202714 -0.038390 0.038944 0.050056 0.066759 0.084024 0.089493 0.094961 0.098431 0.109248 0.112281 0.118048 0.120455 0.123239 0.131660 0.137488 0.138113 0.140497 0.148735 0.152304 0.159777 0.162342 0.164799 0.169155 0.173981 0.181240 0.186294 0.188113 0.190132 0.192983 0.196066 0.203196 0.206707 0.214271 0.218427 0.225205 0.235264 0.242187 0.245250 0.253816 0.255575 0.260718 0.266184 0.268792 0.270265 0.291979 0.296067 0.305382 0.312541 0.317113 0.320145 0.329162 0.333246 0.339000 0.353664 0.364854 0.374592 0.381143 0.392099 0.394961 0.412218 0.417858 0.420256 0.433041 0.444772 0.461669 0.467693 0.473934 0.482064 0.492906 0.509203 0.512332 0.532037 0.551983 0.565617 0.585752 0.609314 0.627916 0.649949 0.660185 0.681206 0.723174 0.740499 0.751611 0.787169 0.819349 0.835449 0.852488 0.858153 0.877653 0.879921 0.885094 0.890946 0.904713 0.910373 0.935689 0.940127 0.975098 0.987330 0.999367 1.013481 1.034058 1.047006 1.059756 1.071451 1.079348 1.083120 1.098431 1.107510 1.119185 1.129324 1.135357 1.142932 1.150301 1.165317 1.178742 1.185388 1.204729 1.225534 1.242777 1.268194 1.280715 1.314009 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C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|17 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|18 H 1S|2S|19 H 1S|2S|20 H 1S|2S|21 H 1S|2S|22 H 1S|2S|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 1.13243 0.85926 0.94474 0.94120 1.27473 0.98140 1.14041 0.43351 0.20044 0.37995 1.13243 0.85928 0.94442 0.94291 1.14700 1.15397 1.09730 0.31994 0.36013 0.33956 1.13244 0.85925 0.95188 0.90722 1.09337 1.18627 1.12725 0.28021 0.39972 0.34374 1.13253 0.85917 0.97512 0.85871 1.16525 1.07358 1.13790 0.39744 0.37564 0.28268 1.17430 0.81399 0.72213 0.59153 0.85552 0.86791 0.90657 -0.02473 -0.00467 0.12479 1.17470 0.81364 0.75990 0.51543 0.90387 0.80551 0.69847 0.03131 -0.02518 0.02021 1.17428 0.81421 0.72058 0.64746 0.91750 0.85412 0.89166 0.19537 0.08160 0.17430 1.17428 0.81411 0.72443 0.63360 0.91098 0.86240 0.89802 0.21211 0.06606 0.18460 1.17430 0.81424 0.72213 0.63439 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0.24554 0.50254 0.25108 0.50456 0.25162 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 O O O O 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 -0.288060 -0.296935 -0.281339 -0.258033 -0.027338 0.302133 -0.471075 -0.480571 -0.410026 -0.372258 -0.492801 0.019604 -0.312150 -0.336441 -0.726626 0.296643 -0.760144 0.241834 0.211416 0.218919 0.207816 0.221793 0.191851 0.204683 0.214410 0.198177 0.226778 0.222588 0.248870 0.204535 0.222360 0.207154 0.232231 0.220816 0.244986 0.215410 0.248590 0.246379 0.243819 0.00000 9.73891312e-01 -6.42915113e-01 2.73910427e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 2.4754 -1.6341 0.6962 3.0467 -102.4927 -96.5958 -104.2552 -0.6354 -8.1583 5.8647 -1.3782 4.5188 -3.1406 -0.6354 -8.1583 5.8647 74.7109 -6.4651 3.0792 20.2392 -40.3004 47.0567 -14.5827 5.6663 -0.2826 -5.6881 -4248.3601 -1470.9893 -673.7321 4.5810 -170.0667 -47.6511 -72.0412 5.5193 -52.8409 -905.3252 -801.1598 -356.3862 23.9473 1.0365 -2.8945 0 -808.4494185 7.315E-9 2.358E-5 -1.0246251,3.3595825,-2.3349574,-0.4724011,-6.0655134,4.3602438 C01 [X(C13H22O4)] 0.9738913 -0.6429151 0.2739104 @ -0.000036801 0.000033296 -0.000065234 0.000052869 -0.000008462 0.000010790 -0.000010128 -0.000062259 -0.000013137 0.000011983 0.000030592 -0.000008522 -0.000014466 0.000064646 -0.000044945 0.000005032 -0.000082943 0.000071012 -0.000000740 -0.000034770 0.000048108 -0.000001419 0.000057281 -0.000022286 -0.000006001 0.000011202 -0.000005863 0.000008005 -0.000033946 0.000023800 -0.000008075 -0.000008578 -0.000031294 0.000024836 0.000020701 -0.000004832 0.000060144 0.000017870 0.000038938 -0.000059909 0.000007584 -0.000047764 -0.000000266 0.000013099 -0.000021211 -0.000022569 0.000000580 0.000006420 0.000004829 0.000031836 0.000011357 0.000008266 -0.000005144 0.000016854 0.000005870 0.000010437 0.000002177 0.000004167 0.000011006 0.000001756 0.000002968 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AuxInfo=1/0/N:15,17,9,10,7,8,13,14,11,12,16,5,6,4,1,2,3/E:(7,8)(15,16)/CRV:11.3,14.1/rA:39OOOO1CCCCCCCCCCCC3CHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s1s2s5;s5;s6;s7;s8s9;s5;s3s11;s1;s2s13;s12;s3s4;s16;s5;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s13;s13;s14;s14;s15;s15;s15;s17;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2024 CBGUSER 000265159 EM64L-G09RevD.01 5-Mar-2018 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 111 C1[X(C13H22O4)] RPBEPBE SDD Freq #pfreq=noraman PBEPBE/SDD 220.1366999999999 0 1 AuxInfo=1/0/N:15,17,9,10,7,8,13,14,11,12,16,5,6,4,1,2,3/E:(7,8)(15,16)/CRV:11.3,14.1/rA:39OOOO1CCCCCCCCCCCC3CHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s1s2s5;s5;s6;s7;s8s9;s5;s3s11;s1;s2s13;s12;s3s4;s16;s5;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s13;s13;s14;s14;s15;s15;s15;s17;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-28081.inp" -scrdir="/scratch/" chk=000265159-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 000265159 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 16 16 16 16 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 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 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 (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| 0.000357 0.000086 0.129275 0.027746 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -2.345984e-05 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 1335.2065142812 214 496 214 66 66 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 39 39 39 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 0 220.1366999999999 AuxInfo=1/0/N:15,17,9,10,7,8,13,14,11,12,16,5,6,4,1,2,3/E:(7,8)(15,16)/CRV:11.3,14.1/rA:39OOOO1CCCCCCCCCCCC3CHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s1s2s5;s5;s6;s7;s8s9;s5;s3s11;s1;s2s13;s12;s3s4;s16;s5;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s13;s13;s14;s14;s15;s15;s15;s17;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 2.376410 0.000000 4.553793 5.176528 0.000000 6.682272 6.794901 2.336550 0.000000 2.508129 2.463300 2.948472 4.579317 0.000000 1.497414 1.486952 4.325699 6.117209 1.546320 0.000000 3.866446 3.008318 3.642302 4.502905 1.553802 2.531309 0.000000 2.453528 2.490427 5.304704 6.912189 2.569742 1.538194 2.975272 0.000000 4.332938 3.625765 4.750053 5.515869 2.568440 2.967110 1.547306 2.547372 0.000000 3.842616 3.057935 5.710267 6.850429 3.010859 2.548106 2.551454 1.546106 1.545514 0.000000 2.972567 2.927204 2.433812 4.185923 1.546197 2.551102 2.595625 3.933706 3.962585 4.453857 0.000000 4.376416 4.378126 1.511829 2.795313 2.592110 3.944810 3.143045 5.158501 4.568112 5.451596 1.533912 0.000000 1.478474 2.354525 5.466117 7.574989 3.494012 2.408419 4.742009 3.463067 5.367447 4.732897 3.500985 4.978727 0.000000 2.370314 1.476340 6.107450 7.954215 3.627170 2.369789 4.439440 3.210060 4.956214 4.129479 3.847063 5.367661 1.540418 0.000000 5.289967 5.315318 2.470099 3.348226 3.960887 5.113380 4.578409 6.472931 6.056639 6.862237 2.565914 1.533934 5.579619 6.074709 0.000000 5.845635 6.351471 1.396151 1.254161 4.013496 5.482251 4.301068 6.273989 5.253998 6.449649 3.685327 2.481579 6.829944 7.395639 3.209380 0.000000 6.383419 7.305771 2.396351 2.466306 4.893298 6.219355 5.315132 6.819129 5.983530 7.113140 4.781300 3.807759 7.509269 8.250209 4.464477 1.514839 0.000000 2.695874 3.394319 2.567536 4.332184 1.109023 2.135832 2.175859 2.776414 2.792557 3.349316 2.160623 2.822874 3.966021 4.386741 4.229511 3.545207 4.131507 0.000000 4.684707 4.004019 3.195086 3.551970 2.191290 3.494606 1.106229 3.980550 2.181860 3.506154 2.832536 2.791360 5.594829 5.419436 4.224829 3.546569 4.651892 2.521166 0.000000 4.197188 2.687565 4.342336 5.088486 2.180254 2.803431 1.108486 3.376210 2.184051 2.826268 2.828632 3.481106 4.756642 4.157814 4.714298 5.048479 6.211079 3.087382 1.783372 0.000000 2.673050 2.699378 6.269193 7.971539 3.513465 2.166934 3.971810 1.106130 3.514608 2.200440 4.715316 6.060903 3.350589 2.946550 7.277936 7.308727 7.830015 3.776620 5.021371 4.188748 0.000000 2.637634 3.425171 5.134976 6.793517 2.839532 2.153135 3.397849 1.107387 2.843897 2.192918 4.237071 5.308485 3.920834 4.038294 6.662219 6.023863 6.330762 2.591254 4.226888 4.067570 1.780002 0.000000 4.515167 4.364773 4.534313 5.288163 2.841492 3.378038 2.181256 2.831995 1.110004 2.182386 4.271564 4.712712 5.752629 5.597024 6.245294 4.896599 5.373352 2.611431 2.494481 3.096146 3.851483 2.679165 0.000000 5.391065 4.390326 5.470637 5.833199 3.525004 3.972392 2.187626 3.508834 1.106925 2.189128 4.775086 5.207078 6.336185 5.762595 6.658219 5.783977 6.567063 3.805783 2.514616 2.507961 4.360577 3.856055 1.780258 0.000000 4.184723 2.755947 6.243001 7.318391 3.419719 2.828585 2.826314 2.173239 2.178151 1.107611 4.653884 5.723689 4.758949 3.823891 7.029737 7.034438 7.860831 4.036920 3.828902 2.649558 2.498134 3.095637 3.093093 2.500405 0.000000 4.633064 4.058906 6.566116 7.621762 4.011749 3.503351 3.516049 2.184472 2.195402 1.106747 5.502604 6.447549 5.563525 4.970085 7.893862 7.206713 7.725615 4.164995 4.351940 3.841943 2.547613 2.511295 2.507475 2.542655 1.783410 0.000000 2.544688 3.212369 2.673693 4.769540 2.170203 2.731012 3.532853 4.171117 4.736514 5.017091 1.106739 2.158345 2.967147 3.731844 2.767526 4.057893 4.929633 2.482899 3.840775 3.819032 4.813019 4.353034 4.930207 5.654882 5.276564 6.020535 0.000000 3.362286 2.581640 3.397286 4.832593 2.177792 2.809012 2.848404 4.242302 4.274643 4.628807 1.107159 2.150619 3.481004 3.489269 2.797094 4.549171 5.769950 3.078080 3.191754 2.631512 4.890832 4.787490 4.824077 4.959368 4.561429 5.728840 1.787243 0.000000 5.047636 4.639074 2.115032 2.411866 2.863768 4.312237 2.821189 5.362636 4.247848 5.336376 2.200820 1.105383 5.684295 5.821767 2.172546 2.557380 4.027305 3.191439 2.180787 3.073200 6.325137 5.583095 4.468269 4.675855 5.546589 6.304814 3.097003 2.541596 0.000000 2.131764 2.808863 5.129782 7.227299 3.649398 2.978501 4.954431 4.288931 5.848694 5.451667 3.168492 4.523333 1.107858 2.200559 4.850088 6.520656 7.279818 4.160192 5.660674 4.918373 4.346787 4.716820 6.239931 6.793693 5.448348 6.375697 2.475670 3.063858 5.324799 0.000000 2.097072 3.315201 6.304340 8.498534 4.452090 3.272854 5.727184 4.026966 6.201467 5.416366 4.520749 5.956589 1.102588 2.226417 6.499918 7.669442 8.208407 4.770546 6.597407 5.792867 3.681228 4.347526 6.505501 7.193449 5.485663 6.112823 3.864547 4.563820 6.716767 1.811055 0.000000 2.831285 2.137845 6.930960 8.774734 4.277992 2.822178 4.961933 3.123927 5.157046 4.039266 4.775160 6.300882 2.203713 1.108419 7.112355 8.184982 8.950986 4.936113 6.018549 4.717781 2.496923 3.962008 5.779680 5.926323 3.704694 4.682114 4.676892 4.497118 6.704848 3.104387 2.464132 0.000000 3.327851 2.085762 6.631108 8.374683 4.327481 3.289945 5.022625 4.220475 5.695092 4.952961 4.250613 5.693716 2.232592 1.101208 6.187526 7.919494 8.892029 5.198607 5.938110 4.537494 3.969196 5.099550 6.436002 6.398865 4.468736 5.825388 4.165262 3.634183 6.114738 2.466654 2.835849 1.810804 0.000000 5.079286 5.500612 2.712266 4.051050 4.257978 5.221887 5.178759 6.630209 6.594933 7.249238 2.822575 2.183787 5.285715 6.027680 1.104603 3.626552 4.611199 4.410094 4.965303 5.383408 7.353535 6.742435 6.714263 7.319955 7.469024 8.269232 2.568668 3.163867 3.093535 4.459332 6.084128 7.068690 6.158672 0.000000 6.280214 6.318877 2.741127 2.862958 4.770867 6.051688 5.205394 7.329865 6.642656 7.611350 3.519126 2.184635 6.656504 7.149287 1.103215 2.987461 4.220042 4.915716 4.642063 5.396152 8.199258 7.450141 6.746869 7.148689 7.822266 8.605960 3.780214 3.799676 2.484777 5.939319 7.566143 8.173655 7.268602 1.797581 0.000000 5.548951 5.171453 3.437790 4.134796 4.284011 5.283841 4.765526 6.703252 6.304543 7.017802 2.828334 2.174746 5.595184 5.888278 1.105498 4.181459 5.516014 4.795780 4.509126 4.639742 7.430862 7.060903 6.671977 6.830865 7.010714 8.093801 3.127837 2.606382 2.543839 4.805533 6.555301 6.963481 5.812730 1.791818 1.787299 0.000000 5.717114 6.918754 2.468478 3.319230 4.546584 5.699871 5.172898 6.203252 5.700695 6.661819 4.617259 3.972833 6.924784 7.760488 4.776539 2.170887 1.100328 3.628376 4.710204 6.144447 7.161013 5.597861 5.007626 6.413767 7.488339 7.220724 4.615873 5.688283 4.363488 6.795002 7.528753 8.384215 8.492365 4.764180 4.764492 5.828052 0.000000 7.014105 8.043260 2.953363 2.944350 5.710250 7.005416 6.249037 7.719041 7.019836 8.109794 5.366651 4.297549 8.039187 8.893060 4.598289 2.148715 1.105567 4.991766 5.588954 7.083218 8.692972 7.233813 6.446342 7.622344 8.828406 8.757954 5.374640 6.323422 4.629218 7.693529 8.693696 9.649555 9.479052 4.594535 4.204072 5.683420 1.788398 0.000000 7.152250 7.950100 3.268835 2.688210 5.492025 6.842569 5.657837 7.268371 6.139892 7.379120 5.566913 4.573675 8.350990 8.990816 5.321473 2.151476 1.101438 4.715297 4.893808 6.585935 8.314708 6.742266 5.438434 6.582462 8.164685 7.886831 5.843815 6.522815 4.567759 8.197625 9.066630 9.635885 9.662596 5.596396 4.986934 6.322051 1.810428 1.782830 0.000000 C13H22O4 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 0 220.1366999999999 AuxInfo=1/0/N:15,17,9,10,7,8,13,14,11,12,16,5,6,4,1,2,3/E:(7,8)(15,16)/CRV:11.3,14.1/rA:39OOOO1CCCCCCCCCCCC3CHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s1s2s5;s5;s6;s7;s8s9;s5;s3s11;s1;s2s13;s12;s3s4;s16;s5;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s13;s13;s14;s14;s15;s15;s15;s17;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.7144078 0.2761186 0.2366626 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= 53724 LenC2= 9827 LenP2D= 31879. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 214 RedAO= T EigKep= 1.33D-03 NBF= 214 NBsUse= 214 1.00D-06 EigRej= -1.00D+00 NBFU= 214 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= 212 212 212 212 212 MxSgAt= 39 MxSgA2= 39. 1 Closed 1 0 1 -808.057328624091 -808.190405940470 -0.133077316379 -808.275867184245 -0.085461243775 -807.554976062795 0.720891121450 -808.379533972469 -0.824557909674 -808.433932855565 -0.054398883095 -808.448492691255 -0.014559835690 -808.449182380079 -0.000689688824 -808.449231897711 -0.000049517632 -808.449236898674 -0.000005000963 -808.449397305302 -0.000160406628 -808.449397590306 -0.000000285004 -808.449397560788 0.000000029518 -808.449397773966 -0.000000213178 -808.449397805619 -0.000000031653 -808.449397806313 -0.000000000694 -808.449397806371 -0.000000000058 -808.449397806369 0.000000000001 -808.449397806 18 8.044952967678e+02 -4.558781401348e+03 1.610630192492e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep J ints in memory in canonical form, NReq=269754539. IVT= 158944 IEndB= 158944 NGot= 939524096 MDV= 674738638 LenX= 674738638 LenY= 674692401 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= 23005 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= 39. Will process 40 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=111111111111111111111111111111111111111 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= 939523488 using IRadAn= 2. Generate precomputed XC quadrature information. Keep J ints in memory in canonical form, NReq=269606940. 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= 23005 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Solving linear equations simultaneously, MaxMat= 0. There are 120 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 117 vectors produced by pass 0 Test12= 9.77D-15 1.00D-09 XBig12= 1.38D+02 4.28D+00. AX will form 117 AO Fock derivatives at one time. 117 vectors produced by pass 1 Test12= 9.77D-15 1.00D-09 XBig12= 3.85D+01 2.04D+00. 117 vectors produced by pass 2 Test12= 9.77D-15 1.00D-09 XBig12= 8.05D-02 2.66D-02. 117 vectors produced by pass 3 Test12= 9.77D-15 1.00D-09 XBig12= 2.64D-05 4.60D-04. 61 vectors produced by pass 4 Test12= 9.77D-15 1.00D-09 XBig12= 1.56D-09 4.00D-06. 3 vectors produced by pass 5 Test12= 9.77D-15 1.00D-09 XBig12= 6.90D-14 2.68D-08. InvSVY: IOpt=1 It= 1 EMax= 1.42D-14 Solved reduced A of dimension 532 with 120 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 147.62 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 163.435 -9.643 150.529 0.332 1.867 128.909 236.599 -25.733 227.198 6.659 -4.494 239.994 (Enter /mnt/data/applications/G09/g09/l716.exe) PT3018.200S Mon Mar 5 15:25:44 2018 -18.79519 -18.77064 -18.76393 -18.75194 -10.02365 -9.99388 -9.95424 -9.95357 -9.95152 -9.90335 -9.89782 -9.88958 -9.88904 -9.88690 -9.88666 -9.88665 -9.88521 -0.99630 -0.97883 -0.91998 -0.89228 -0.75866 -0.72454 -0.69382 -0.68208 -0.66627 -0.63839 -0.60486 -0.57193 -0.56162 -0.53716 -0.52246 -0.49196 -0.48071 -0.45365 -0.44239 -0.43655 -0.41796 -0.41371 -0.40905 -0.39763 -0.39159 -0.38557 -0.38169 -0.36743 -0.36332 -0.36161 -0.35708 -0.34729 -0.34292 -0.33667 -0.32354 -0.32094 -0.30885 -0.30810 -0.30107 -0.28819 -0.28470 -0.27928 -0.26921 -0.26614 -0.26145 -0.24749 -0.22042 -0.21700 -0.20271 -0.03838 0.03895 0.05006 0.06676 0.08402 0.08949 0.09496 0.09843 0.10925 0.11229 0.11804 0.12046 0.12324 0.13167 0.13749 0.13811 0.14050 0.14874 0.15231 0.15978 0.16234 0.16480 0.16916 0.17399 0.18124 0.18630 0.18811 0.19013 0.19298 0.19606 0.20320 0.20671 0.21427 0.21844 0.22521 0.23527 0.24218 0.24525 0.25382 0.25557 0.26072 0.26618 0.26879 0.27028 0.29198 0.29607 0.30538 0.31255 0.31711 0.32014 0.32916 0.33325 0.33901 0.35364 0.36485 0.37459 0.38115 0.39209 0.39496 0.41222 0.41785 0.42026 0.43305 0.44477 0.46166 0.46768 0.47394 0.48205 0.49290 0.50921 0.51234 0.53204 0.55200 0.56563 0.58573 0.60935 0.62790 0.64997 0.66020 0.68121 0.72319 0.74052 0.75162 0.78718 0.81938 0.83544 0.85249 0.85815 0.87766 0.87994 0.88511 0.89095 0.90472 0.91037 0.93568 0.94013 0.97511 0.98733 0.99938 1.01347 1.03405 1.04700 1.05977 1.07145 1.07935 1.08312 1.09843 1.10750 1.11918 1.12933 1.13537 1.14293 1.15031 1.16532 1.17874 1.18539 1.20473 1.22554 1.24277 1.26820 1.28071 1.31400 1.32838 1.40467 1.43389 1.46158 1.54434 1.65623 1.74785 1.78267 1.83719 22.37437 22.42671 22.49285 22.54755 22.57841 22.59626 22.61031 22.62362 22.64542 22.67019 22.69111 22.69867 22.72685 41.52642 41.53042 41.57594 41.60065 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 O O O O 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 -0.288090 -0.296966 -0.281353 -0.258056 -0.027328 0.302330 -0.471305 -0.480588 -0.409906 -0.372229 -0.492661 0.019396 -0.312306 -0.336304 -0.726633 0.296722 -0.760137 0.241777 0.211454 0.218971 0.207847 0.221798 0.191823 0.204652 0.214382 0.198181 0.226754 0.222575 0.248918 0.204557 0.222422 0.207132 0.232167 0.220827 0.244991 0.215435 0.248588 0.246357 0.243805 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 O O O O C C C C C C C C C C C C C -0.288090 -0.296966 -0.281353 -0.258056 0.214450 0.302330 -0.040880 -0.050943 -0.013431 0.040335 -0.043333 0.268314 0.114673 0.102995 -0.045379 0.296722 -0.021387 0.00000 9.75333487e-01 -5.82153453e-01 3.82207532e-01 1.63435213e+02 -9.64287276e+00 1.50529180e+02 3.32322739e-01 1.86735864e+00 1.28909373e+02 -8.5723 -5.8027 0.0002 0.0004 0.0007 8.3986 19.8248 30.8485 49.6135 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 19.3916 30.5963 49.5808 50.6895 78.9145 84.2238 115.5865 123.8052 159.8830 178.1996 186.7343 213.0078 224.2141 249.8592 278.7982 286.9991 341.7763 350.0579 395.2991 418.3581 431.3313 452.2688 490.7034 519.7741 558.4880 575.1761 604.6191 618.7724 640.7530 708.5849 756.1364 784.6079 814.8054 836.1873 864.0297 867.5309 890.2019 894.2976 916.6206 927.9391 937.3255 959.4462 983.6342 985.9669 997.4126 1007.8228 1034.2528 1043.9909 1052.7719 1081.2139 1090.4967 1103.9669 1109.3960 1131.3735 1141.8179 1152.9336 1159.1056 1168.9919 1195.3086 1203.5432 1214.3293 1244.7253 1253.2787 1268.6184 1281.6542 1306.9765 1315.2690 1325.4995 1329.4606 1329.7312 1334.1589 1335.3992 1343.1906 1349.8854 1367.0427 1382.3339 1383.7211 1451.8716 1454.6688 1454.9698 1456.8633 1459.5389 1464.4000 1465.3985 1473.4172 1474.4040 1477.3803 1486.6733 1637.3096 2965.1166 2978.5254 2979.8438 2984.1131 2985.3320 2986.3165 2988.9603 2991.7501 2995.7395 3004.5657 3028.6911 3032.5935 3040.3967 3046.2796 3055.3459 3057.7611 3078.1712 3085.1704 3096.8214 3097.8909 3098.4441 3136.7892 4.0725 7.0305 3.4155 1.0617 3.4052 3.0683 3.0609 3.5194 2.7626 3.1209 3.6304 1.1839 2.7608 2.6905 2.6615 2.0715 2.4629 3.5275 3.6441 2.9430 3.5602 2.7552 2.2160 3.2550 2.8629 3.0675 3.8017 2.4647 3.7888 6.0331 3.3425 1.7993 2.3238 2.1288 2.1402 2.4045 1.6603 4.1775 3.0453 1.8935 1.6873 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