Gaussian 09 GINC-KIMIK2063 CBGUSER 000226664 EM64L-G09RevD.01 8-Jan-2018 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 298.1855999999998 0 1 AuxInfo=1/0/N:23,13,16,22,19,20,17,18,9,11,7,14,10,15,12,21,8,6,3,2,5,4,1/CRV:5.3,6.3,7.3,8.3,10.3,12.3,14.3,15.3,16.3,19.1,20.1,21.1/rA:42OO1O1OO1NCCCCC3C3CC3C3CC3C3C3C3C3CCHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s1s6;s7s8;s7;s7;s2s6s10;s8;s1s11;s3s10;s6;s11;s14;s17;s18s19;s4s5s15;s4;s22;s7;s9;s9;s10;s13;s13;s13;s16;s16;s16;s17;s18;s19;s20;s22;s22;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-25627.inp" -scrdir="/scratch/" chk=000226664.chk nprocshared=4 mem=3800MB #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 000226664 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 16 16 16 16 16 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 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 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 0 0 0 0 0 2 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 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 (Enter /mnt/data/applications/G09/g09/l101.exe) Initialization pass. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 1 1 2 3 4 4 5 6 6 6 7 7 7 7 8 8 9 9 10 10 10 11 11 13 13 13 14 15 16 16 16 17 17 18 18 19 19 20 22 22 22 23 23 23 8 14 12 15 21 22 21 8 12 16 9 10 11 24 9 13 25 26 12 15 27 14 17 28 29 30 18 21 31 32 33 19 34 20 35 20 36 37 23 38 39 40 41 42 1.446 1.3702 1.2357 1.2219 1.3456 1.4306 1.2157 1.4887 1.3986 1.4624 1.5211 1.5314 1.511 1.0963 1.5316 1.539 1.0968 1.0986 1.5267 1.502 1.0997 1.4001 1.4011 1.0952 1.0968 1.0956 1.3963 1.5021 1.0931 1.0936 1.0932 1.3951 1.0871 1.3942 1.0868 1.3937 1.0861 1.0862 1.5138 1.0958 1.0958 1.0936 1.0949 1.095 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 8 21 8 8 12 9 9 9 10 10 11 1 1 1 6 6 9 7 7 7 8 8 25 7 7 7 12 12 15 7 7 14 2 2 6 8 8 8 28 28 29 1 1 11 3 3 10 6 6 6 31 31 32 11 11 19 14 14 20 17 17 20 18 18 19 4 4 5 4 4 4 23 23 38 22 22 22 40 40 41 1 4 6 6 6 7 7 7 7 7 7 8 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119.9888 129.8875 108.8891 121.1755 109.0051 109.4559 109.4983 109.7456 109.7746 109.3474 110.9681 110.6037 110.5811 108.8544 108.8538 106.8657 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 D114 D115 D116 D117 14 14 14 8 8 22 22 21 21 21 12 12 12 16 16 16 8 8 16 16 8 8 8 12 12 12 10 10 10 11 11 11 24 24 24 9 9 9 11 11 11 24 24 24 9 9 10 10 24 24 1 1 1 6 6 6 13 13 13 1 1 1 6 6 6 9 9 9 7 7 15 15 27 27 7 7 12 12 27 27 7 7 17 17 7 7 14 14 1 1 11 11 3 3 10 10 11 11 34 34 14 14 35 35 17 17 36 36 4 4 4 38 38 38 39 39 39 1 1 1 1 1 4 4 4 4 4 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 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 8 8 8 10 10 10 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 14 14 14 14 15 15 15 15 17 17 17 17 18 18 18 18 19 19 19 19 22 22 22 22 22 22 22 22 22 8 8 8 14 14 21 21 22 22 22 8 8 8 8 8 8 12 12 12 12 16 16 16 16 16 16 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 9 9 9 9 9 9 9 9 9 13 13 13 13 13 13 13 13 13 12 12 12 12 12 12 15 15 15 15 15 15 14 14 14 14 17 17 17 17 18 18 18 18 21 21 21 21 19 19 19 19 20 20 20 20 20 20 20 20 23 23 23 23 23 23 23 23 23 6 9 13 11 18 5 15 23 38 39 1 9 13 1 9 13 2 10 2 10 31 32 33 31 32 33 8 25 26 8 25 26 8 25 26 12 15 27 12 15 27 12 15 27 14 17 14 17 14 17 7 25 26 7 25 26 7 25 26 28 29 30 28 29 30 28 29 30 2 6 2 6 2 6 3 21 3 21 3 21 1 18 1 18 19 34 19 34 20 35 20 35 4 5 4 5 20 36 20 36 19 37 19 37 18 37 18 37 40 41 42 40 41 42 40 41 42 -83.5062 39.5842 155.8345 -7.5264 173.3797 0.0121 -177.4438 179.992 -59.9662 59.8893 92.7662 -29.9997 -150.8258 -87.2221 150.012 29.1859 -174.0041 9.4047 5.9842 -170.607 172.567 52.8766 -67.969 -7.4219 -127.1123 112.0421 -65.0467 56.6032 175.0805 55.6875 177.3373 -64.1853 172.3584 -65.9918 52.4855 45.7583 -80.3854 163.7947 -73.6621 160.1942 44.3743 165.7129 39.5692 -76.2507 -26.6579 154.2618 93.4778 -85.6024 -143.3249 37.5949 -64.583 174.1476 54.7566 56.6789 -64.5905 176.0186 -179.6951 59.0356 -60.3554 175.9936 -63.413 53.8717 57.8821 178.4754 -64.2398 -65.3125 55.2809 172.5656 166.0784 -17.1416 -68.7192 108.0607 45.567 -137.6531 123.3392 -56.9269 -5.1957 174.5383 -118.7461 60.9879 1.0496 -179.8907 -179.8573 -0.7976 179.6053 -0.3517 0.5168 -179.4403 179.7278 -0.4286 0.6061 -179.5504 117.7072 -60.0113 -62.0463 120.2352 -0.0437 179.9281 179.9138 -0.1144 -0.125 179.8243 -179.97 -0.0207 -0.1551 179.8956 179.8731 -0.0762 179.9511 -59.1313 59.0495 60.0883 -178.9941 -60.8133 -60.1168 60.8007 178.9816 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 251 252 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 42 42 42 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= 15576 NPrTT= 79941 LenC2= 13847 LenP2D= 44136. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 268 RedAO= T EigKep= 6.37D-04 NBF= 268 NBsUse= 268 1.00D-06 EigRej= -1.00D+00 NBFU= 268 Using GEDIIS/GDIIS optimizer. local minimum Step number 15 out of a maximum of 251 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00108 0.00251 0.00320 0.00584 0.00637 0.00727 0.00874 0.01055 0.01098 0.01253 0.01406 0.01658 0.02080 0.02119 0.02127 0.02151 0.02163 0.02163 0.02169 0.02383 0.02695 0.02823 0.03334 0.04155 0.04496 0.04754 0.04928 0.05070 0.05173 0.05422 0.05425 0.05489 0.05519 0.05649 0.05703 0.05849 0.06216 0.06296 0.07433 0.07631 0.07682 0.07782 0.08194 0.09281 0.10330 0.11178 0.13596 0.13963 0.15534 0.15952 0.15966 0.15991 0.15998 0.16000 0.16001 0.16001 0.16006 0.16022 0.16061 0.16127 0.16371 0.16487 0.17549 0.21156 0.21745 0.21983 0.22567 0.22952 0.23055 0.23791 0.24764 0.25084 0.25220 0.25955 0.26359 0.26692 0.27755 0.28377 0.28823 0.29004 0.29515 0.30556 0.30902 0.31119 0.32843 0.33590 0.33843 0.34036 0.34048 0.34108 0.34136 0.34156 0.34196 0.34228 0.34246 0.34344 0.34391 0.34432 0.34503 0.34593 0.35161 0.35198 0.35261 0.35316 0.36095 0.36636 0.38071 0.39790 0.40321 0.41972 0.44136 0.45069 0.46198 0.46639 0.47224 0.48087 0.55616 0.86307 0.94438 0.95389 RFO step: Lambda=-5.13739846D-08. 1 2 3 0.00087959 0.00000151 0.00000000 0.00000060 0.00000006 0.00000006 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 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 D114 D115 D116 D117 2.86757 2.66784 2.39473 2.36740 2.63498 2.83980 2.35440 2.79399 2.64172 2.80014 2.90419 2.97083 2.88272 2.08760 2.90525 2.89128 2.08516 2.08553 2.90748 2.88955 2.08189 2.68660 2.67495 2.08497 2.08317 2.08097 2.67165 2.93588 2.07875 2.08517 2.08610 2.66478 2.07438 2.66239 2.06828 2.67760 2.06910 2.07006 2.87940 2.08791 2.08747 2.08818 2.08503 2.08582 2.01501 2.02466 2.18069 2.04866 2.04503 1.87707 1.92222 1.93787 1.92855 1.89715 1.90093 1.88875 1.88619 1.80938 1.94974 1.96270 1.95880 1.89383 1.94888 1.93628 1.91279 1.87814 1.89259 1.96581 1.91154 1.89868 1.93485 1.85768 1.89299 2.10275 2.11586 2.06454 2.13108 2.07627 2.07578 1.92407 1.90594 1.94258 1.90141 1.90603 1.88294 2.14324 2.02876 2.11099 2.15910 2.06848 2.05480 1.87791 1.91779 1.93900 1.91830 1.89587 1.91452 2.11776 2.06983 2.09558 2.08953 2.07279 2.12085 2.08509 2.09896 2.09913 2.09836 2.08713 2.09768 2.17084 1.93667 2.17559 1.86685 1.88383 1.87799 1.97143 1.96901 1.89064 1.91164 1.93753 1.94036 1.88851 1.88658 1.89776 -1.30045 0.81375 2.89540 -0.23873 2.92373 0.01525 -3.14004 -3.11853 -0.99232 1.04457 1.73464 -0.33971 -2.56052 -1.26028 2.94855 0.72774 -3.09422 0.03554 -0.09902 3.03074 2.90527 0.81710 -1.30478 -0.10126 -2.18942 1.97188 -1.18087 0.92918 3.04258 0.92176 3.03181 -1.13798 3.02878 -1.14436 0.96904 0.86800 -1.29373 2.92315 -1.23063 2.89082 0.82452 2.96749 0.80576 -1.26054 -0.35135 2.78068 1.71999 -1.43116 -2.48041 0.65162 -1.16607 2.98492 0.93026 0.90980 -1.22239 3.00614 3.13272 1.00053 -1.05413 3.03182 -1.16297 0.91401 0.99577 3.08417 -1.12204 -1.22021 0.86819 2.94517 2.82341 -0.30672 -1.31101 1.84204 0.74423 -2.38591 1.52479 -1.57311 -0.65498 2.53029 -2.68856 0.49672 -0.00317 3.11659 -3.13548 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0.00000 0.00000 -0.00003 0.00003 0.00001 0.00001 -0.00001 -0.00003 0.00001 0.00002 0.00010 -0.00005 -0.00006 -0.00004 0.00010 -0.00004 -0.00008 0.00010 -0.00005 -0.00002 0.00001 0.00001 -0.00003 0.00003 0.00000 0.00000 0.00001 -0.00001 0.00001 -0.00001 0.00000 0.00002 0.00008 -0.00010 -0.00005 0.00000 -0.00014 0.00014 -0.00001 0.00004 0.00000 0.00002 -0.00004 -0.00002 0.00000 0.00003 0.00011 0.00012 0.00000 -0.00028 -0.00021 -0.00017 0.00014 0.00311 0.00325 0.00323 -0.00071 -0.00076 -0.00069 0.00004 0.00000 0.00007 0.00075 0.00125 0.00000 0.00051 0.00119 0.00125 0.00127 0.00189 0.00195 0.00196 -0.00005 -0.00016 -0.00011 -0.00012 -0.00023 -0.00018 -0.00003 -0.00014 -0.00009 0.00047 0.00058 0.00054 0.00047 0.00058 0.00054 0.00046 0.00057 0.00053 -0.00004 -0.00001 -0.00014 -0.00011 -0.00013 -0.00010 0.00009 0.00017 0.00012 0.00018 0.00025 0.00021 0.00019 0.00027 0.00023 -0.00008 -0.00009 -0.00010 -0.00018 -0.00019 -0.00021 -0.00013 -0.00014 -0.00016 -0.00055 -0.00103 -0.00077 -0.00125 -0.00056 -0.00105 0.00021 0.00054 0.00038 0.00071 0.00017 0.00051 0.00023 0.00016 0.00019 0.00012 -0.00010 -0.00011 -0.00006 -0.00008 -0.00016 -0.00013 -0.00009 -0.00006 -0.00241 -0.00209 -0.00272 -0.00240 -0.00003 -0.00006 -0.00001 -0.00004 0.00000 0.00002 -0.00004 -0.00001 0.00006 0.00004 0.00010 0.00007 0.00007 0.00006 0.00008 0.00002 0.00001 0.00003 -0.00014 -0.00015 -0.00012 2.86747 2.66790 2.39471 2.36744 2.63501 2.84003 2.35437 2.79402 2.64178 2.80017 2.90412 2.97089 2.88279 2.08758 2.90535 2.89130 2.08517 2.08553 2.90744 2.88942 2.08190 2.68657 2.67493 2.08497 2.08317 2.08095 2.67163 2.93603 2.07873 2.08522 2.08607 2.66480 2.07437 2.66241 2.06828 2.67759 2.06909 2.07006 2.87937 2.08790 2.08747 2.08818 2.08503 2.08581 2.01503 2.02452 2.18062 2.04870 2.04497 1.87698 1.92229 1.93790 1.92851 1.89717 1.90096 1.88883 1.88620 1.80932 1.94969 1.96279 1.95872 1.89384 1.94885 1.93629 1.91271 1.87817 1.89265 1.96574 1.91138 1.89867 1.93490 1.85777 1.89310 2.10274 2.11585 2.06456 2.13109 2.07627 2.07577 1.92407 1.90590 1.94261 1.90141 1.90604 1.88293 2.14321 2.02877 2.11101 2.15920 2.06843 2.05475 1.87786 1.91790 1.93896 1.91822 1.89597 1.91447 2.11773 2.06984 2.09559 2.08950 2.07282 2.12086 2.08510 2.09896 2.09911 2.09837 2.08713 2.09768 2.17086 1.93675 2.17549 1.86680 1.88384 1.87786 1.97157 1.96900 1.89068 1.91164 1.93756 1.94032 1.88849 1.88659 1.89779 -1.30034 0.81386 2.89541 -0.23902 2.92352 0.01508 -3.13990 -3.11542 -0.98907 1.04780 1.73393 -0.34047 -2.56121 -1.26024 2.94855 0.72781 -3.09347 0.03679 -0.09902 3.03124 2.90646 0.81835 -1.30352 -0.09937 -2.18748 1.97384 -1.18092 0.92902 3.04247 0.92164 3.03158 -1.13815 3.02875 -1.14450 0.96896 0.86846 -1.29316 2.92369 -1.23016 2.89141 0.82506 2.96794 0.80633 -1.26002 -0.35140 2.78067 1.71985 -1.43127 -2.48054 0.65153 -1.16598 2.98509 0.93039 0.90998 -1.22214 3.00635 3.13292 1.00080 -1.05390 3.03174 -1.16306 0.91391 0.99559 3.08398 -1.12224 -1.22034 0.86805 2.94501 2.82287 -0.30776 -1.31177 1.84079 0.74367 -2.38696 1.52500 -1.57258 -0.65461 2.53100 -2.68838 0.49723 -0.00294 3.11675 -3.13528 -0.01560 -3.12317 0.01142 0.00910 -3.13950 3.13106 -0.01536 0.00999 -3.13642 -2.90708 0.22108 0.19284 -2.96218 0.00294 3.13949 -3.13155 0.00500 0.00243 3.13936 -3.13420 0.00272 -0.00882 3.13747 3.13781 0.00091 -3.12337 -1.03899 1.07606 1.08964 -3.10916 -0.99411 -1.06202 1.02236 3.13741 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000042 0.000009 0.007054 0.000880 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -1.831279e-07 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 1 1 2 3 4 4 5 6 6 6 7 7 7 7 8 8 9 9 10 10 10 11 11 13 13 13 14 15 16 16 16 17 17 18 18 19 19 20 22 22 22 23 23 23 8 14 12 15 21 22 21 8 12 16 9 10 11 24 9 13 25 26 12 15 27 14 17 28 29 30 18 21 31 32 33 19 34 20 35 20 36 37 23 38 39 40 41 42 1.5175 1.4118 1.2672 1.2528 1.3944 1.5028 1.2459 1.4785 1.3979 1.4818 1.5368 1.5721 1.5255 1.1047 1.5374 1.53 1.1034 1.1036 1.5386 1.5291 1.1017 1.4217 1.4155 1.1033 1.1024 1.1012 1.4138 1.5536 1.1 1.1034 1.1039 1.4101 1.0977 1.4089 1.0945 1.4169 1.0949 1.0954 1.5237 1.1049 1.1046 1.105 1.1033 1.1038 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 8 21 8 8 12 9 9 9 10 10 11 1 1 1 6 6 9 7 7 7 8 8 25 7 7 7 12 12 15 7 7 14 2 2 6 8 8 8 28 28 29 1 1 11 3 3 10 6 6 6 31 31 32 11 11 19 14 14 20 17 17 20 18 18 19 4 4 5 4 4 4 23 23 38 22 22 22 40 40 41 1 4 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 12 12 12 13 13 13 13 13 13 14 14 14 15 15 15 16 16 16 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 22 22 22 23 23 23 23 23 23 14 22 12 16 16 10 11 24 11 24 24 6 9 13 9 13 13 8 25 26 25 26 26 12 15 27 15 27 27 14 17 17 6 10 10 28 29 30 29 30 30 11 18 18 10 21 21 31 32 33 32 33 33 19 34 34 20 35 35 20 36 36 19 37 37 5 15 15 23 38 39 38 39 39 40 41 42 41 42 42 115.4513 116.0045 124.9442 117.3796 117.1717 107.5481 110.1354 111.0319 110.4979 108.6989 108.9152 108.2174 108.0706 103.6697 111.7116 112.4545 112.2308 108.5082 111.6627 110.9407 109.5946 107.6096 108.4372 112.6324 109.5229 108.7862 110.859 106.4369 108.4603 120.4786 121.2298 118.2895 122.1018 118.9616 118.9332 110.2413 109.2021 111.3018 108.9425 109.2074 107.8847 122.7989 116.2396 120.9506 123.7073 118.5153 117.7316 107.5961 109.8814 111.0965 109.9103 108.6253 109.694 121.3385 118.5923 120.0679 119.721 118.7624 121.516 119.467 120.2613 120.2711 120.2272 119.584 120.1882 124.3798 110.9631 124.6521 106.9626 107.9357 107.6012 112.9545 112.816 108.3258 109.5288 111.0124 111.1745 108.2038 108.0933 108.7339 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 D113 D114 D115 D116 14 14 14 8 8 22 22 21 21 21 12 12 12 16 16 16 8 8 16 16 8 8 8 12 12 12 10 10 10 11 11 11 24 24 24 9 9 9 11 11 11 24 24 24 9 9 10 10 24 24 1 1 1 6 6 6 13 13 13 1 1 1 6 6 6 9 9 9 7 7 15 15 27 27 7 7 12 12 27 27 7 7 17 17 7 7 14 14 1 1 11 11 3 3 10 10 11 11 34 34 14 14 35 35 17 17 36 36 4 4 4 38 38 38 39 39 1 1 1 1 1 4 4 4 4 4 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 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 8 8 8 10 10 10 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 14 14 14 14 15 15 15 15 17 17 17 17 18 18 18 18 19 19 19 19 22 22 22 22 22 22 22 22 8 8 8 14 14 21 21 22 22 22 8 8 8 8 8 8 12 12 12 12 16 16 16 16 16 16 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 9 9 9 9 9 9 9 9 9 13 13 13 13 13 13 13 13 13 12 12 12 12 12 12 15 15 15 15 15 15 14 14 14 14 17 17 17 17 18 18 18 18 21 21 21 21 19 19 19 19 20 20 20 20 20 20 20 20 23 23 23 23 23 23 23 23 6 9 13 11 18 5 15 23 38 39 1 9 13 1 9 13 2 10 2 10 31 32 33 31 32 33 8 25 26 8 25 26 8 25 26 12 15 27 12 15 27 12 15 27 14 17 14 17 14 17 7 25 26 7 25 26 7 25 26 28 29 30 28 29 30 28 29 30 2 6 2 6 2 6 3 21 3 21 3 21 1 18 1 18 19 34 19 34 20 35 20 35 4 5 4 5 20 36 20 36 19 37 19 37 18 37 18 37 40 41 42 40 41 42 40 41 -74.5102 46.6243 165.8944 -13.6785 167.5177 0.8739 -179.9112 -178.6783 -56.8555 59.8494 99.3876 -19.4641 -146.7072 -72.2088 168.9396 41.6964 -177.2858 2.0363 -5.6736 173.6485 166.4596 46.8165 -74.7585 -5.8016 -125.4446 112.9803 -67.6587 53.2382 174.3269 52.8131 173.7099 -65.2014 173.5364 -65.5667 55.5219 49.7325 -74.1254 167.4841 -70.5101 165.632 47.2415 170.0246 46.1666 -72.2238 -20.1311 159.3213 98.5484 -81.9993 -142.117 37.3353 -66.8109 171.0233 53.3002 52.1279 -70.0379 172.2389 179.4917 57.3259 -60.3973 173.7104 -66.6332 52.369 57.0535 176.7098 -64.288 -69.9127 49.7436 168.7458 161.7697 -17.574 -75.1151 105.5412 42.641 -136.7027 87.3642 -90.1328 -37.5279 144.9752 -154.043 28.46 -0.1815 178.5675 -179.6496 -0.9007 -178.9391 0.6608 0.5249 -179.8752 179.4054 -0.8726 0.5778 -179.7003 -166.4254 12.7869 11.205 -169.5827 0.1702 179.8833 -179.4239 0.2892 0.1394 179.8708 -179.5747 0.1567 -0.5091 179.7611 179.7778 0.0481 -178.9601 -59.533 61.6486 62.4309 -178.1419 -56.9603 -60.8416 58.5856 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 298.1855999999998 AuxInfo=1/0/N:23,13,16,22,19,20,17,18,9,11,7,14,10,15,12,21,8,6,3,2,5,4,1/CRV:5.3,6.3,7.3,8.3,10.3,12.3,14.3,15.3,16.3,19.1,20.1,21.1/rA:42OO1O1OO1NCCCCC3C3CC3C3CC3C3C3C3C3CCHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s1s6;s7s8;s7;s7;s2s6s10;s8;s1s11;s3s10;s6;s11;s14;s17;s18s19;s4s5s15;s4;s22;s7;s9;s9;s10;s13;s13;s13;s16;s16;s16;s17;s18;s19;s20;s22;s22;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 4.327166 0.000000 5.455294 3.035421 0.000000 6.320453 4.595341 3.218389 0.000000 6.347982 5.386327 2.902628 2.320906 0.000000 2.381777 2.325189 3.630018 5.423507 5.480449 0.000000 2.914124 3.700609 3.467049 3.535616 3.570078 2.864036 0.000000 1.446018 3.683993 4.285532 5.712428 5.420380 1.488694 2.454723 0.000000 2.455930 4.133885 3.727938 4.739246 4.118729 2.498738 1.521077 1.531561 0.000000 3.611261 2.377573 2.419280 2.949274 3.493891 2.504447 1.531384 2.934523 2.494136 0.000000 2.437284 4.207727 4.806538 4.417697 4.900874 3.314915 1.511046 2.796676 2.459245 2.500602 0.000000 3.281994 1.235749 2.787706 4.292922 4.766411 1.398634 2.584798 2.540930 2.909760 1.526685 3.191519 0.000000 2.378846 4.807639 5.143012 6.992692 6.314289 2.515317 3.806752 1.538969 2.475839 4.320174 4.209291 3.790992 0.000000 1.370214 4.459809 5.586336 5.718899 6.085487 3.087067 2.523455 2.398994 2.771946 3.362139 1.400092 3.458336 3.625333 0.000000 4.868892 3.015984 1.221871 2.318540 2.371681 3.458881 2.474536 3.898879 3.134855 1.501999 3.785773 2.498384 5.012055 4.748081 0.000000 3.216639 2.795786 4.510497 6.690159 6.733961 1.462428 4.325423 2.534509 3.795986 3.843589 4.661260 2.457379 2.854702 4.164028 4.636379 0.000000 3.694531 5.019716 5.601787 4.352565 5.259980 4.586604 2.530522 4.195748 3.740128 3.297820 1.401107 4.202531 5.600254 2.416442 4.453342 5.905962 0.000000 2.351465 5.440867 6.890106 6.726530 7.314781 4.255269 3.809524 3.663815 4.142312 4.576478 2.425956 4.605506 4.703534 1.396277 6.013627 5.110243 2.789841 0.000000 4.158088 5.903974 6.899958 5.609597 6.643415 5.438700 3.813233 5.025489 4.843352 4.526639 2.425789 5.183882 6.350416 2.789735 5.781424 6.603606 1.395054 2.414730 0.000000 3.637721 6.088371 7.460132 6.679126 7.552538 5.302847 4.311763 4.813174 5.003880 5.052168 2.800743 5.352792 5.975707 2.416603 6.448785 6.263782 2.415648 1.394214 1.393677 0.000000 5.818053 4.395958 2.337207 1.345590 1.215702 4.815019 3.005210 4.980264 3.873393 2.564204 4.247980 3.886484 6.086254 5.460726 1.502107 6.081472 4.558365 6.648289 5.928235 6.844382 0.000000 7.477762 6.014538 4.469449 1.430550 2.756981 6.790273 4.623007 6.941038 5.822991 4.305894 5.386465 5.703658 8.189782 6.760489 3.650543 8.092486 5.055993 7.670679 6.220172 7.437513 2.343723 0.000000 8.195904 6.517941 5.532694 2.397606 4.242930 7.578049 5.515957 7.843444 6.879309 5.088269 5.970032 6.384374 9.209601 7.318289 4.699251 8.838354 5.354213 8.028488 6.289261 7.578883 3.639452 1.513802 0.000000 3.850126 4.551484 3.694810 3.098763 2.893512 3.904790 1.096343 3.403727 2.131351 2.195862 2.122687 3.523353 4.594723 3.330315 2.607164 5.360286 2.667469 4.493348 4.026979 4.769259 2.546486 3.936619 4.950736 0.000000 3.408533 4.234771 3.134306 4.660067 3.618542 2.810571 2.168261 2.185071 1.096824 2.716558 3.426981 3.117981 2.717716 3.842835 2.816306 3.963216 4.625806 5.224845 5.824167 6.071687 3.566276 5.735590 6.939590 2.514548 0.000000 2.685839 5.201963 4.690698 5.367821 4.555179 3.448379 2.155084 2.174833 1.098601 3.450389 2.727452 3.969345 2.715650 2.929721 4.043648 4.650219 3.876954 4.146651 4.863101 4.972375 4.509297 6.276977 7.357137 2.410064 1.770289 0.000000 4.157943 2.538537 3.069884 2.630114 3.895642 3.265094 2.162098 3.786762 3.431851 1.099703 2.621608 2.098999 5.258268 3.601415 2.093389 4.508025 2.971972 4.586479 4.107362 4.793014 2.784161 3.941294 4.422909 2.637379 3.774426 4.280099 0.000000 3.353974 4.855479 4.748855 6.989537 6.075109 2.782802 4.162684 2.194555 2.776493 4.475391 4.880197 3.932087 1.095223 4.517541 4.853882 2.976933 6.272640 5.692118 7.163672 6.917024 5.953625 8.190316 9.308225 4.858751 2.564895 3.141005 5.506799 0.000000 2.658765 5.748563 5.834565 7.403894 6.555473 3.461138 4.086512 2.181280 2.676790 4.918378 4.384836 4.648187 1.096818 3.784191 5.589291 3.928753 5.708647 4.760123 6.397285 5.996525 6.469069 8.486947 9.549968 4.705794 2.995795 2.450980 5.840673 1.775738 0.000000 2.600233 5.086040 5.903346 7.831681 7.318068 2.832950 4.634874 2.196132 3.450438 5.017834 4.810592 4.223531 1.095571 3.965669 5.828659 2.668602 6.175120 4.821602 6.755111 6.180161 7.001681 9.080053 10.018017 5.516050 3.764274 3.696097 5.868712 1.780329 1.745421 0.000000 4.071981 2.359523 4.538816 6.736689 7.029910 2.125308 4.865382 3.465895 4.593616 4.063164 5.200247 2.544830 3.935308 4.821054 4.775000 1.093133 6.316511 5.686885 6.995419 6.720883 6.261755 8.165041 8.794639 5.887273 4.703035 5.536857 4.552774 3.968172 5.012723 3.741255 0.000000 2.961310 3.583461 5.514705 7.446546 7.557824 2.092468 4.779991 2.744751 4.215341 4.522480 4.804095 3.207493 2.905567 4.002875 5.507574 1.093642 6.023905 4.713598 6.514320 5.950971 6.898708 8.826543 9.508957 5.852014 4.584963 4.904446 5.098575 3.319467 3.867915 2.366610 1.772642 0.000000 3.807060 3.483822 4.556650 7.104030 6.817989 2.095270 4.785312 2.858699 3.980346 4.372632 5.341314 3.118223 2.669334 4.895650 4.889807 1.093192 6.656817 5.928948 7.446468 7.132902 6.323298 8.486256 9.366194 5.733172 3.897578 4.779530 5.186902 2.426364 3.750940 2.505785 1.768772 1.796437 0.000000 4.592658 5.270129 5.427074 3.601666 4.682944 5.146849 2.743760 4.852437 4.131620 3.352659 2.163988 4.536019 6.269663 3.406210 4.217169 6.528562 1.087071 3.876847 2.147897 3.395946 3.995114 4.106383 4.353229 2.511071 4.841777 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0.16401 0.52079 0.19342 0.51396 0.22507 0.51290 0.23424 0.50507 0.16896 0.51190 0.25608 0.51132 0.24508 0.51303 0.24037 0.50615 0.21321 0.51582 0.24330 0.51729 0.24553 0.52080 0.24157 0.51557 0.22945 0.52037 0.24808 0.51985 0.24384 0.51794 0.25550 0.51650 0.24603 0.51108 0.26801 0.51163 0.24923 0.51239 0.26142 -0.6531 -3.8437 -2.3724 4.5639 -117.3535 -131.3976 -145.1222 -20.3855 3.4791 -6.7915 13.9376 -0.1065 -13.8311 -20.3855 3.4791 -6.7915 58.0583 -35.8332 -18.8250 -38.6559 -42.0960 29.9545 -20.9331 -7.1158 2.0316 11.5380 -4629.0653 -2915.0747 -995.6129 -67.3320 12.1568 39.3471 -47.6263 25.7218 -1.4049 -1255.4652 -1067.0866 -703.3375 21.7511 -45.0372 -7.8076 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 298.1855999999998 AuxInfo=1/0/N:23,13,16,22,19,20,17,18,9,11,7,14,10,15,12,21,8,6,3,2,5,4,1/CRV:5.3,6.3,7.3,8.3,10.3,12.3,14.3,15.3,16.3,19.1,20.1,21.1/rA:42OO1O1OO1NCCCCC3C3CC3C3CC3C3C3C3C3CCHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s1s6;s7s8;s7;s7;s2s6s10;s8;s1s11;s3s10;s6;s11;s14;s17;s18s19;s4s5s15;s4;s22;s7;s9;s9;s10;s13;s13;s13;s16;s16;s16;s17;s18;s19;s20;s22;s22;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 4.445956 0.000000 5.252077 3.462450 0.000000 6.166797 4.621580 3.566377 0.000000 7.345733 5.141336 2.870843 2.336336 0.000000 2.427232 2.333020 3.547173 5.303708 5.948395 0.000000 2.962938 3.740720 3.271130 3.296967 4.597177 2.858153 0.000000 1.517453 3.706270 3.922380 5.555687 6.308564 1.478514 2.495089 0.000000 2.472557 4.154578 3.246237 4.538823 5.285833 2.496267 1.536831 1.537393 0.000000 3.755328 2.421011 2.456353 2.776592 3.801672 2.530322 1.572094 2.992517 2.508034 0.000000 2.487710 4.181002 4.694585 4.142619 5.862900 3.248717 1.525469 2.855708 2.510571 2.545210 0.000000 3.392924 1.267236 2.908854 4.201751 4.891873 1.397940 2.588484 2.551070 2.894427 1.538570 3.159967 0.000000 2.396020 4.781222 4.662032 6.872521 7.306234 2.500987 3.877995 1.529999 2.546437 4.366668 4.292848 3.771139 0.000000 1.411758 4.492062 5.461443 5.500382 7.065909 3.054568 2.558965 2.477294 2.822658 3.468380 1.421689 3.494895 3.699989 0.000000 4.958917 3.119138 1.252776 2.430638 2.483362 3.476955 2.533030 3.881807 3.090837 1.529084 3.867622 2.525999 4.968450 4.849432 0.000000 3.096723 2.761435 4.688071 6.630091 7.168625 1.481770 4.308485 2.529167 3.860837 3.876301 4.454513 2.457996 2.912670 3.921169 4.763097 0.000000 3.752893 4.940930 5.597671 4.052414 6.148197 4.502458 2.563174 4.265237 3.819720 3.321562 1.415521 4.142396 5.703314 2.435649 4.565241 5.633616 0.000000 2.399314 5.461882 6.828781 6.514189 8.280189 4.221117 3.863508 3.756164 4.216527 4.696561 2.467264 4.647611 4.791267 1.413776 6.144262 4.782022 2.819916 0.000000 4.233040 5.832520 6.934893 5.336965 7.503541 5.365017 3.864759 5.120438 4.943014 4.584272 2.463431 5.149983 6.472439 2.823123 5.917074 6.266862 1.410140 2.450017 0.000000 3.699614 6.059958 7.464337 6.443455 8.467907 5.244837 4.368769 4.910168 5.095993 5.149527 2.843468 5.359270 6.083551 2.441049 6.592309 5.897646 2.441711 1.408879 1.416925 0.000000 6.220005 4.259495 2.416908 1.394369 1.245893 4.955417 3.436547 5.296225 4.301693 2.638683 4.639138 3.877555 6.433638 5.857733 1.553603 6.241883 4.932475 7.047033 6.290319 7.228360 0.000000 7.565523 5.971137 4.851836 1.502759 2.775611 6.800139 4.684668 7.027551 5.941386 4.270242 5.383143 5.667343 8.338422 6.785463 3.828188 8.108999 5.001533 7.677029 6.143942 7.400065 2.457636 0.000000 7.701430 6.582835 5.993371 2.432294 4.262047 7.316615 5.013553 7.458455 6.428791 4.855385 5.298721 6.244317 8.864269 6.692269 4.846286 8.608439 4.536188 7.340660 5.432323 6.799062 3.727358 1.523711 0.000000 3.906401 4.581150 3.469673 2.783785 4.177135 3.917783 1.104710 3.469698 2.191082 2.192127 2.154071 3.518608 4.719033 3.376234 2.650152 5.385586 2.719736 4.557444 4.091506 4.837862 3.086768 4.006700 4.326542 0.000000 3.432160 4.253672 2.495278 4.518539 4.757865 2.831345 2.198030 2.172307 1.103417 2.702948 3.481383 3.094135 2.771008 3.898664 2.714160 4.142723 4.710130 5.302551 5.926814 6.166974 3.962578 5.899909 6.628060 2.592018 0.000000 2.618903 5.222941 4.169126 5.178847 6.010092 3.421185 2.189104 2.146659 1.103616 3.488456 2.812329 3.956484 2.764704 2.962896 4.027179 4.663078 4.021931 4.214130 5.021056 5.092165 5.064383 6.471137 6.833718 2.518066 1.790464 0.000000 4.345703 2.587116 3.279891 2.385259 3.884399 3.298325 2.191054 3.873622 3.454311 1.101690 2.676336 2.130767 5.325984 3.742195 2.149105 4.488398 2.982439 4.749334 4.168200 4.920870 2.687165 3.754801 4.148126 2.592212 3.762841 4.332646 0.000000 3.381476 4.763581 4.201263 6.911439 6.984883 2.744610 4.251225 2.173999 2.881292 4.488020 4.967223 3.859352 1.103319 4.592638 4.772016 3.107428 6.378072 5.774773 7.281901 7.018637 6.259093 8.370372 9.072821 5.017299 2.666521 3.257166 5.527182 0.000000 2.666092 5.726495 5.221487 7.232661 7.722101 3.439390 4.139730 2.159994 2.704823 4.948342 4.503807 4.621928 1.102367 3.897795 5.501838 3.972672 5.871675 4.915840 6.600639 6.188897 6.862637 8.640683 9.104959 4.814505 2.979743 2.466686 5.905092 1.795040 0.000000 2.572414 5.049100 5.521418 7.695488 8.203285 2.815514 4.672941 2.185791 3.500070 5.056249 4.831037 4.204334 1.101202 3.971713 5.799642 2.669232 6.200886 4.827135 6.789388 6.198110 7.299555 9.179574 9.641989 5.603213 3.822051 3.711780 5.925328 1.797048 1.781421 0.000000 3.923919 2.231176 4.876591 6.609391 7.133530 2.095520 4.747417 3.423627 4.591544 3.991352 4.859371 2.463157 3.984110 4.479177 4.860941 1.100026 5.867958 5.238084 6.467109 6.187707 6.239316 8.034076 8.535276 5.800931 4.832093 5.492889 4.398345 4.086999 5.046711 3.762672 0.000000 2.733574 3.596687 5.607485 7.257285 8.030035 2.127263 4.658736 2.715142 4.198193 4.504377 4.473732 3.216710 2.992289 3.619017 5.577413 1.103427 5.613152 4.220224 6.023952 5.419845 7.024732 8.725043 9.067593 5.758972 4.691955 4.813361 5.035245 3.496493 3.919723 2.446926 1.803973 0.000000 3.750694 3.419241 4.787553 7.238997 7.469798 2.142854 4.947942 2.936370 4.226078 4.524289 5.302331 3.153633 2.786490 4.777498 5.137367 1.103919 6.561500 5.698900 7.264133 6.885329 6.666744 8.726864 9.358848 5.971759 4.279879 4.983290 5.268950 2.662207 3.874455 2.474261 1.790072 1.804765 0.000000 4.646538 5.156731 5.441909 3.251626 5.484044 5.048884 2.752951 4.902089 4.193878 3.318550 2.167010 4.439142 6.362493 3.427213 4.302656 6.281731 1.097715 3.917603 2.178206 3.439260 4.327569 4.011762 3.451594 2.539255 4.909387 4.448663 2.804798 6.910116 6.535043 6.970144 6.437422 6.412138 7.171037 0.000000 2.582938 6.000390 7.519372 7.528221 9.193382 4.574497 4.722896 4.073711 4.805364 5.517359 3.447340 5.234539 4.822105 2.164667 6.953834 4.844286 3.914131 1.094488 3.451576 2.189741 7.972211 8.733591 8.430493 5.486861 5.868280 4.739611 5.657764 5.869850 4.917664 4.630186 5.364005 4.071215 5.688084 5.011754 0.000000 5.327808 6.606566 7.709627 5.662058 7.939072 6.372027 4.740091 6.187939 5.924695 5.363726 3.452928 6.028217 7.557588 3.918038 6.613083 7.267459 2.177960 3.442491 1.094919 2.184179 6.772370 6.228171 5.277272 4.805315 6.865412 5.989433 4.790362 8.348219 7.672439 7.883140 7.384512 7.040039 8.285742 2.511910 4.360725 0.000000 4.568289 6.961457 8.544525 7.432728 9.509476 6.192275 5.464151 5.878024 6.151877 6.209790 3.938890 6.344911 6.960503 3.432192 7.665783 6.696064 3.436865 2.169974 2.183715 1.095430 8.271960 8.309612 7.588139 5.912035 7.232823 6.096389 5.926018 7.938167 7.036913 6.964308 6.946175 6.105359 7.689797 4.348513 2.521898 2.519694 0.000000 7.996874 6.675183 4.982356 2.121709 2.689127 7.294987 5.043993 7.373486 6.134334 4.809204 5.897831 6.259910 8.576576 7.302079 4.133751 8.663911 5.616042 8.265054 6.809703 8.049982 2.694223 1.104875 2.203540 4.211685 5.970565 6.557184 4.502607 8.544718 8.781294 9.497009 8.685231 9.304377 9.193865 4.635997 9.312771 6.923665 8.984406 0.000000 8.222179 6.020638 5.087333 2.117181 2.735470 7.186421 5.405123 7.606926 6.635411 4.700448 6.126331 5.940084 8.909825 7.487644 4.139600 8.396162 5.775660 8.379476 6.878891 8.112676 2.710541 1.104642 2.201657 4.865398 6.517681 7.278416 4.115389 8.863765 9.314112 9.711986 8.191523 9.085975 8.990106 4.827159 9.416813 6.941111 9.004195 1.791222 0.000000 8.788665 7.600493 6.935107 3.402955 4.904456 8.413676 6.100182 8.555659 7.493648 5.939244 6.367098 7.318917 9.949978 7.753391 5.833339 9.697240 5.529480 8.342261 6.313210 7.710149 4.586064 2.160654 1.105015 5.365843 7.657902 7.860020 5.222399 10.141351 10.167489 10.740338 9.594959 10.162909 10.442748 4.437862 9.435149 6.021741 8.432027 2.557322 2.545025 0.000000 7.464016 6.132560 6.147837 2.680421 4.694622 7.044766 4.993257 7.328655 6.492291 4.686925 5.061013 5.924317 8.801412 6.384429 4.931886 8.232285 4.187429 6.914443 4.941226 6.294682 4.009175 2.178238 1.103349 4.516261 6.797005 6.980619 3.796394 9.068305 9.130648 9.481607 8.060509 8.645410 9.060450 3.173065 7.990389 4.726496 7.027272 3.116766 2.552645 1.788909 0.000000 7.242499 6.799429 6.080286 2.700713 4.676208 7.181657 4.626615 7.112655 6.004649 4.820877 4.809779 6.269920 8.489796 6.193307 4.947243 8.531299 3.991473 6.801882 4.868627 6.238387 4.012742 2.180593 1.103770 3.828410 6.297649 6.249690 4.237562 8.781486 8.611823 9.287805 8.587006 8.901536 9.288239 2.901481 7.893976 4.721413 7.024955 2.547670 3.117387 1.788000 1.793868 0.000000 0.3505524 0.2217716 0.1586169 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= 263 263 263 263 264 MxSgAt= 42 MxSgA2= 42. 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 42 42 42 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 42 42 42 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 42 42 42 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 42 42 42 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 42 42 42 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 42 42 42 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 42 42 42 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 42 42 42 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 42 42 42 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 42 42 42 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 42 42 42 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 42 42 42 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 42 42 42 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 42 42 42 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= 15576 NPrTT= 79941 LenC2= 13837 LenP2D= 44055. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 268 RedAO= T EigKep= 6.68D-04 NBF= 268 NBsUse= 268 1.00D-06 EigRej= -1.00D+00 NBFU= 268 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 261 261 261 261 261 MxSgAt= 42 MxSgA2= 42. 1 Closed 1 0 1 -1088.17808813474 -1088.31358651776 -0.135498383013 -1088.44516767596 -0.131581158200 -1087.69963850766 0.745529168296 -1088.64216025043 -0.942521742769 -1088.69039951998 -0.048239269550 -1088.69337703544 -0.002977515459 -1088.69377615925 -0.000399123815 -1088.69381303667 -0.000036877419 -1088.69382579889 -0.000012762217 -1088.69399650426 -0.000170705374 -1088.69399965567 -0.000003151408 -1088.69399712906 0.000002526613 -1088.69400068271 -0.000003553655 -1088.69400076861 -0.000000085895 -1088.69400077042 -0.000000001813 -1088.69400077064 -0.000000000219 -1088.69400077071 -0.000000000073 -1088.69400077068 0.000000000033 -1088.69400077 19 1.085051991350e+03 -6.645331883028e+03 2.420205695963e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. IVT= 237322 IEndB= 237322 NGot= 498073600 MDV= 497925011 LenX= 497925011 LenY= 497852746 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. Fock matrices will be formed incrementally for 20 cycles. Integral accuracy reduced to 1.0D-05 until final iterations. -2.56946644e-01 -1.51223025e+00 -9.33384794e-01 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 8 8 8 8 8 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.024002912 0.006475813 -0.005205945 0.004683370 0.013858329 0.036322525 0.003258554 0.049020292 0.003412968 -0.006262535 -0.007226913 0.016964223 0.026503630 0.001322667 -0.048638760 0.012836619 -0.000574802 -0.004782417 -0.005208902 -0.010529066 -0.007541563 0.004708179 0.033182366 -0.014327593 0.006516498 -0.002176602 0.004222479 -0.003295372 -0.007663897 0.003547566 0.012718725 0.001897200 -0.001232102 -0.007795317 -0.008192591 -0.032120118 -0.007587908 -0.000861328 0.005212036 0.000661731 -0.015300081 0.004148394 -0.006770893 -0.015905584 0.008555113 -0.006424860 -0.001808355 0.001344449 0.000563723 -0.001348710 0.000542797 -0.012106996 -0.005102038 0.002914781 0.010714543 -0.011978009 0.002261392 -0.008320060 -0.004163965 0.001924786 -0.031805242 0.011808128 0.024992274 0.030018130 -0.023474612 -0.004538759 -0.005036951 0.000939632 0.007337231 0.008443878 -0.002397701 0.000540761 -0.000749703 0.006181368 0.000038408 -0.004789136 -0.000361318 -0.001666941 0.002971679 -0.004954211 0.002006592 0.003853603 0.003429624 0.000355098 0.002587127 -0.004538491 -0.003087189 -0.003231414 0.001592886 0.004006225 0.006395523 -0.003592655 0.003193012 -0.007983159 0.000951072 0.001095480 -0.003160058 0.007194249 -0.002487796 0.006987284 0.001062875 -0.001611111 -0.004748547 0.004164139 -0.000343731 0.002605166 -0.005741005 0.001214105 -0.004253158 -0.004194100 0.001701195 -0.000973085 0.000121816 -0.007995751 0.003148236 0.004774504 -0.005066024 0.004843148 -0.003018678 -0.002605580 0.003339879 0.002589068 0.004703456 -0.003853017 -0.005461317 0.000694032 0.049020292 0.011529474 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 0 1 -1088.72232803546 -1088.72236141354 -0.000033378078 -1088.72239854946 -0.000037135920 -1088.72238939318 0.000009156282 -1088.72240216957 -0.000012776387 -1088.72240183856 0.000000331009 -1088.72240252106 -0.000000682505 -1088.72240253633 -0.000000015265 -1088.72240253722 -0.000000000890 -1088.72240253741 -0.000000000197 -1088.72240253746 -0.000000000047 -1088.72240253741 0.000000000048 -1088.72240254 12 1.083583204984e+03 -6.600450429935e+03 2.398867576769e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. IVT= 237322 IEndB= 237322 NGot= 498073600 MDV= 497925011 LenX= 497925011 LenY= 497852746 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. Fock matrices will be formed incrementally for 20 cycles. Integral accuracy reduced to 1.0D-05 until final iterations. (Enter /mnt/data/applications/G09/g09/l716.exe) alpha 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V -18.831936 -18.794608 -18.793082 -18.786734 -18.738206 -14.044564 -10.049240 -10.023582 -10.017221 -10.008867 -9.977118 -9.969145 -9.942728 -9.937903 -9.924516 -9.922575 -9.920257 -9.914512 -9.914378 -9.913627 -9.910112 -9.909311 -9.904376 -1.032903 -0.988491 -0.977824 -0.954669 -0.951128 -0.862488 -0.793940 -0.769050 -0.733072 -0.723407 -0.694314 -0.679818 -0.660640 -0.646271 -0.628794 -0.589371 -0.583832 -0.566269 -0.557541 -0.543770 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22.673453 22.679773 22.712479 22.784641 31.529665 41.481489 41.519507 41.522492 41.579360 41.593627 29.115632 29.115437 29.116197 29.116711 29.117207 22.045551 15.955486 15.954596 15.961594 15.956141 15.959649 15.954756 15.956574 15.953790 15.953761 15.956612 15.954579 15.954318 15.956021 15.956476 15.954160 15.955822 15.954545 2.485366 2.651069 2.359176 2.803521 2.541221 2.145531 1.515314 1.508638 1.605836 1.595652 1.630021 1.642101 1.542309 1.575351 1.650919 1.554569 1.652477 1.597429 1.427245 1.679507 1.800611 1.335363 1.560485 1.279588 1.291626 1.315970 1.263487 1.422183 2.057267 1.294035 1.439369 1.740161 1.384174 1.564562 1.427406 1.385555 1.706062 1.318897 1.425692 1.289481 1.712550 1.370535 1.386667 1.374369 1.325313 1.437810 1.767235 1.841162 1.450461 1.731609 1.607852 1.489014 1.659599 2.148802 1.944897 2.487273 1.649113 1.914036 2.043835 2.183777 1.924853 2.229589 1.447546 2.022425 1.807682 2.331406 2.298998 2.091064 1.269408 1.387477 1.413902 1.135907 1.714918 1.521209 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2.757334 2.842562 2.843108 2.759997 2.903499 2.766814 2.720842 2.655119 2.669169 2.819690 2.807474 2.876544 2.696264 2.848230 2.735998 2.779091 2.832319 2.762595 2.711968 2.741159 2.870095 2.963682 3.126264 2.808974 3.102905 2.781724 3.083083 3.164158 3.085407 3.073562 3.288357 4.105064 5.049305 5.162119 5.350239 5.280327 5.492826 57.413173 57.408423 57.405202 57.409682 57.405154 57.400798 57.396545 57.403425 57.384874 57.402836 57.394467 57.391840 57.401532 57.394529 57.393494 57.394839 57.384172 80.073207 105.849050 105.843320 105.840835 105.841096 105.839982 1.083583204984D+03 PT10505.200S Mon Jan 8 22:44:26 2018 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 O O O O O N C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H -0.222632 -0.230739 -0.111754 -0.212255 -0.181484 -0.146822 -0.361612 0.298456 -0.548611 -0.281423 0.366711 0.159189 -0.764161 0.187256 0.061953 -0.649263 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1.04346 1.05451 1.06540 1.06808 1.07703 1.08028 1.09009 1.10432 1.12288 1.12317 1.14451 1.16492 1.16851 1.18713 1.19192 1.20702 1.21755 1.22261 1.26162 1.28297 1.31873 1.34640 1.36697 1.43701 1.48480 1.50457 1.51836 1.63770 1.67590 1.72420 1.77487 1.84449 22.29284 22.38149 22.46725 22.47823 22.52410 22.54755 22.55641 22.57692 22.59870 22.60042 22.62003 22.62550 22.66499 22.67345 22.67977 22.71248 22.78464 31.52967 41.48149 41.51951 41.52249 41.57936 41.59363 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 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1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 20 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 21 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 22 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 23 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 24 H 1S 2S 25 H 1S 2S 26 H 1S 2S 27 H 1S 2S 28 H 1S 2S 29 H 1S 2S 30 H 1S 2S 31 H 1S 2S 32 H 1S 2S 33 H 1S 2S 34 H 1S 2S 35 H 1S 2S 36 H 1S 2S 37 H 1S 2S 38 H 1S 2S 39 H 1S 2S 40 H 1S 2S 41 H 1S 2S 42 H 1S 2S 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 1 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|2 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|3 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|4 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|5 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|6 N 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|7 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|8 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|9 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|10 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|11 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|12 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|13 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|14 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|15 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|16 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|17 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|18 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|19 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|20 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|21 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|22 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|23 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|24 H 1S|2S|25 H 1S|2S|26 H 1S|2S|27 H 1S|2S|28 H 1S|2S|29 H 1S|2S|30 H 1S|2S|31 H 1S|2S|32 H 1S|2S|33 H 1S|2S|34 H 1S|2S|35 H 1S|2S|36 H 1S|2S|37 H 1S|2S|38 H 1S|2S|39 H 1S|2S|40 H 1S|2S|41 H 1S|2S|42 H 1S|2S 1.13239 0.85924 0.94707 0.92651 1.15266 0.98453 1.27485 0.34599 0.18492 0.44947 1.13252 0.85917 0.97257 0.86535 1.25447 1.08964 1.03208 0.43344 0.37082 0.25213 1.13258 0.85905 0.98490 0.86230 1.33546 1.04402 0.97265 0.41421 0.21374 0.31200 1.13242 0.85925 0.95219 0.89783 1.12641 1.04532 1.23755 0.34292 0.21882 0.45844 1.13257 0.85908 0.98289 0.85728 1.13734 1.22654 0.99886 0.26630 0.37523 0.35403 1.15922 0.83099 0.81896 0.72832 0.97932 1.10450 0.98724 0.07600 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0.75117 0.52873 0.90970 0.90750 0.79676 -0.00379 0.15066 0.22349 1.17442 0.81414 0.75572 0.53386 0.91951 0.89992 0.78205 0.00371 0.10711 0.22442 1.17464 0.81383 0.80423 0.29219 0.91212 0.79214 0.73727 0.07438 0.07222 0.16617 1.17445 0.81420 0.75222 0.60369 0.72232 0.86828 0.98071 0.06733 0.04782 0.19112 1.17421 0.81437 0.72557 0.68807 0.92890 0.86078 0.93382 0.21257 0.11710 0.21782 0.51475 0.20071 0.50906 0.22588 0.51033 0.23957 0.50626 0.17749 0.50723 0.26002 0.50874 0.25528 0.50973 0.24423 0.50274 0.21952 0.51011 0.24390 0.51213 0.25043 0.51601 0.24215 0.51170 0.23808 0.51585 0.25688 0.51561 0.25349 0.51196 0.25173 0.51188 0.24669 0.50626 0.27159 0.50797 0.25735 0.50867 0.26591 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 O O O O O N C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H -0.257644 -0.262181 -0.130905 -0.271154 -0.190122 -0.149084 -0.340340 0.312268 -0.553015 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0.000000802 0.000005786 -0.000000025 0.000000844 0.000007783 0.000001693 -0.000007612 -0.000004434 0.000004359 -0.000014316 -0.000013424 -0.000002022 0.000000363 -0.000009635 -0.000006781 -0.000002798 -0.000005983 0.000005810 0.000000492 0.000000933 -0.000001194 -0.000005346 -0.000005223 0.000000315 -0.000003313 -0.000004686 0.000001000 -0.000001558 0.000013036 0.000016395 0.000008455 0.000001817 -0.000004763 0.000014214 -0.000000417 0.000003175 0.000007032 0.000006608 0.000000680 0.000006223 0.000008867 0.000002909 0.000003213 298.1855999999998 AuxInfo=1/0/N:23,13,16,22,19,20,17,18,9,11,7,14,10,15,12,21,8,6,3,2,5,4,1/CRV:5.3,6.3,7.3,8.3,10.3,12.3,14.3,15.3,16.3,19.1,20.1,21.1/rA:42OO1O1OO1NCCCCC3C3CC3C3CC3C3C3C3C3CCHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s1s6;s7s8;s7;s7;s2s6s10;s8;s1s11;s3s10;s6;s11;s14;s17;s18s19;s4s5s15;s4;s22;s7;s9;s9;s10;s13;s13;s13;s16;s16;s16;s17;s18;s19;s20;s22;s22;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2075 CBGUSER 000226664 EM64L-G09RevD.01 8-Jan-2018 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 120 C1[X(C17H19NO5)] RPBEPBE SDD Freq #p freq=noraman PBEPBE/SDD 298.1855999999998 0 1 AuxInfo=1/0/N:23,13,16,22,19,20,17,18,9,11,7,14,10,15,12,21,8,6,3,2,5,4,1/CRV:5.3,6.3,7.3,8.3,10.3,12.3,14.3,15.3,16.3,19.1,20.1,21.1/rA:42OO1O1OO1NCCCCC3C3CC3C3CC3C3C3C3C3CCHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s1s6;s7s8;s7;s7;s2s6s10;s8;s1s11;s3s10;s6;s11;s14;s17;s18s19;s4s5s15;s4;s22;s7;s9;s9;s10;s13;s13;s13;s16;s16;s16;s17;s18;s19;s20;s22;s22;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-24255.inp" -scrdir="/scratch/" chk=000226664-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 000226664 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 16 16 16 16 16 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 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 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 0 0 0 0 0 2 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 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 (Enter /mnt/data/applications/G09/g09/l101.exe) Initialization pass. 3.00e-01 1.00e-07 1.00e-07 2 2 Search for a local minimum. |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000254 0.000086 0.077484 0.026645 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -1.753975e-05 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 2029.2772637035 268 628 268 84 84 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 42 42 42 1.00e+00 60 F 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 298.1855999999998 AuxInfo=1/0/N:23,13,16,22,19,20,17,18,9,11,7,14,10,15,12,21,8,6,3,2,5,4,1/CRV:5.3,6.3,7.3,8.3,10.3,12.3,14.3,15.3,16.3,19.1,20.1,21.1/rA:42OO1O1OO1NCCCCC3C3CC3C3CC3C3C3C3C3CCHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s1s6;s7s8;s7;s7;s2s6s10;s8;s1s11;s3s10;s6;s11;s14;s17;s18s19;s4s5s15;s4;s22;s7;s9;s9;s10;s13;s13;s13;s16;s16;s16;s17;s18;s19;s20;s22;s22;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 4.445955 0.000000 5.252077 3.462450 0.000000 6.166797 4.621581 3.566378 0.000000 7.345732 5.141337 2.870843 2.336336 0.000000 2.427232 2.333021 3.547174 5.303709 5.948395 0.000000 2.962937 3.740719 3.271130 3.296967 4.597176 2.858153 0.000000 1.517454 3.706270 3.922380 5.555687 6.308564 1.478514 2.495089 0.000000 2.472556 4.154578 3.246238 4.538824 5.285833 2.496267 1.536831 1.537392 0.000000 3.755328 2.421012 2.456353 2.776592 3.801672 2.530323 1.572094 2.992518 2.508034 0.000000 2.487709 4.181003 4.694585 4.142619 5.862900 3.248717 1.525470 2.855709 2.510572 2.545210 0.000000 3.392924 1.267236 2.908854 4.201752 4.891873 1.397940 2.588484 2.551071 2.894428 1.538571 3.159967 0.000000 2.396020 4.781221 4.662033 6.872522 7.306234 2.500986 3.877995 1.529998 2.546436 4.366669 4.292848 3.771139 0.000000 1.411757 4.492062 5.461443 5.500383 7.065909 3.054568 2.558965 2.477295 2.822659 3.468380 1.421689 3.494895 3.699988 0.000000 4.958917 3.119139 1.252776 2.430639 2.483362 3.476956 2.533030 3.881807 3.090837 1.529084 3.867623 2.526000 4.968450 4.849433 0.000000 3.096723 2.761435 4.688071 6.630091 7.168624 1.481769 4.308484 2.529167 3.860837 3.876301 4.454513 2.457996 2.912669 3.921168 4.763097 0.000000 3.752892 4.940930 5.597671 4.052414 6.148197 4.502458 2.563175 4.265237 3.819720 3.321562 1.415521 4.142396 5.703314 2.435649 4.565241 5.633616 0.000000 2.399314 5.461882 6.828781 6.514189 8.280188 4.221117 3.863508 3.756165 4.216527 4.696561 2.467264 4.647611 4.791267 1.413776 6.144262 4.782022 2.819915 0.000000 4.233040 5.832520 6.934894 5.336965 7.503540 5.365017 3.864759 5.120439 4.943014 4.584272 2.463430 5.149983 6.472439 2.823123 5.917074 6.266862 1.410139 2.450017 0.000000 3.699614 6.059958 7.464337 6.443454 8.467907 5.244837 4.368769 4.910168 5.095992 5.149527 2.843468 5.359270 6.083550 2.441048 6.592309 5.897646 2.441710 1.408878 1.416925 0.000000 6.220005 4.259495 2.416909 1.394369 1.245893 4.955417 3.436547 5.296224 4.301693 2.638682 4.639138 3.877555 6.433638 5.857733 1.553603 6.241883 4.932475 7.047033 6.290318 7.228359 0.000000 7.565522 5.971138 4.851836 1.502758 2.775611 6.800139 4.684667 7.027551 5.941386 4.270242 5.383143 5.667343 8.338422 6.785463 3.828188 8.108998 5.001533 7.677029 6.143941 7.400064 2.457636 0.000000 7.701430 6.582836 5.993371 2.432293 4.262046 7.316615 5.013553 7.458455 6.428791 4.855384 5.298721 6.244318 8.864269 6.692270 4.846286 8.608439 4.536188 7.340660 5.432323 6.799062 3.727358 1.523711 0.000000 3.906401 4.581150 3.469673 2.783785 4.177134 3.917784 1.104710 3.469698 2.191082 2.192127 2.154071 3.518609 4.719033 3.376235 2.650152 5.385586 2.719736 4.557444 4.091505 4.837861 3.086768 4.006700 4.326542 0.000000 3.432160 4.253672 2.495278 4.518539 4.757864 2.831345 2.198030 2.172306 1.103417 2.702948 3.481384 3.094135 2.771008 3.898664 2.714160 4.142722 4.710130 5.302551 5.926814 6.166974 3.962578 5.899909 6.628060 2.592018 0.000000 2.618903 5.222942 4.169126 5.178848 6.010092 3.421185 2.189105 2.146658 1.103617 3.488456 2.812329 3.956484 2.764705 2.962897 4.027180 4.663078 4.021931 4.214129 5.021056 5.092165 5.064383 6.471137 6.833718 2.518066 1.790464 0.000000 4.345703 2.587116 3.279891 2.385259 3.884399 3.298325 2.191053 3.873622 3.454311 1.101690 2.676337 2.130767 5.325983 3.742195 2.149105 4.488398 2.982439 4.749333 4.168200 4.920870 2.687165 3.754801 4.148126 2.592212 3.762840 4.332646 0.000000 3.381477 4.763582 4.201263 6.911440 6.984883 2.744611 4.251225 2.174000 2.881292 4.488021 4.967224 3.859353 1.103320 4.592639 4.772017 3.107429 6.378073 5.774774 7.281901 7.018637 6.259093 8.370372 9.072821 5.017300 2.666521 3.257167 5.527182 0.000000 2.666092 5.726494 5.221487 7.232661 7.722101 3.439390 4.139730 2.159994 2.704822 4.948342 4.503807 4.621927 1.102367 3.897795 5.501837 3.972671 5.871675 4.915840 6.600639 6.188896 6.862636 8.640683 9.104959 4.814505 2.979742 2.466686 5.905091 1.795041 0.000000 2.572415 5.049099 5.521417 7.695489 8.203285 2.815514 4.672941 2.185791 3.500069 5.056249 4.831037 4.204334 1.101201 3.971713 5.799642 2.669232 6.200886 4.827135 6.789388 6.198110 7.299555 9.179574 9.641989 5.603213 3.822051 3.711781 5.925327 1.797049 1.781421 0.000000 3.923920 2.231175 4.876591 6.609392 7.133530 2.095520 4.747417 3.423628 4.591544 3.991352 4.859372 2.463156 3.984110 4.479177 4.860942 1.100026 5.867958 5.238084 6.467109 6.187707 6.239316 8.034076 8.535276 5.800932 4.832093 5.492889 4.398345 4.087000 5.046711 3.762672 0.000000 2.733575 3.596686 5.607486 7.257285 8.030035 2.127263 4.658736 2.715143 4.198193 4.504378 4.473733 3.216710 2.992289 3.619017 5.577414 1.103427 5.613152 4.220225 6.023952 5.419845 7.024733 8.725044 9.067593 5.758972 4.691955 4.813361 5.035245 3.496494 3.919723 2.446926 1.803973 0.000000 3.750694 3.419241 4.787553 7.238998 7.469798 2.142854 4.947941 2.936369 4.226077 4.524289 5.302331 3.153633 2.786489 4.777497 5.137367 1.103919 6.561500 5.698900 7.264133 6.885329 6.666744 8.726864 9.358848 5.971759 4.279879 4.983290 5.268950 2.662207 3.874454 2.474260 1.790073 1.804764 0.000000 4.646538 5.156731 5.441910 3.251626 5.484043 5.048884 2.752951 4.902090 4.193878 3.318550 2.167011 4.439142 6.362493 3.427214 4.302656 6.281730 1.097716 3.917603 2.178206 3.439260 4.327569 4.011761 3.451594 2.539255 4.909387 4.448663 2.804798 6.910117 6.535042 6.970145 6.437423 6.412139 7.171037 0.000000 2.582938 6.000390 7.519373 7.528221 9.193382 4.574497 4.722897 4.073712 4.805364 5.517360 3.447340 5.234540 4.822105 2.164667 6.953835 4.844286 3.914131 1.094489 3.451576 2.189741 7.972211 8.733591 8.430494 5.486862 5.868281 4.739611 5.657765 5.869851 4.917664 4.630186 5.364005 4.071216 5.688084 5.011755 0.000000 5.327807 6.606566 7.709626 5.662057 7.939071 6.372026 4.740090 6.187939 5.924695 5.363726 3.452927 6.028216 7.557587 3.918038 6.613082 7.267459 2.177959 3.442490 1.094918 2.184179 6.772369 6.228170 5.277272 4.805314 6.865412 5.989432 4.790361 8.348219 7.672439 7.883140 7.384512 7.040039 8.285742 2.511909 4.360725 0.000000 4.568289 6.961457 8.544525 7.432728 9.509476 6.192275 5.464152 5.878025 6.151877 6.209791 3.938890 6.344912 6.960503 3.432192 7.665783 6.696064 3.436865 2.169974 2.183715 1.095431 8.271959 8.309612 7.588139 5.912035 7.232823 6.096389 5.926018 7.938168 7.036913 6.964308 6.946176 6.105360 7.689797 4.348513 2.521898 2.519694 0.000000 7.996873 6.675183 4.982356 2.121708 2.689127 7.294987 5.043993 7.373486 6.134334 4.809203 5.897831 6.259910 8.576576 7.302079 4.133751 8.663911 5.616042 8.265054 6.809702 8.049981 2.694223 1.104875 2.203538 4.211685 5.970565 6.557184 4.502607 8.544719 8.781294 9.497009 8.685231 9.304377 9.193865 4.635996 9.312771 6.923664 8.984406 0.000000 8.222178 6.020639 5.087333 2.117180 2.735469 7.186421 5.405123 7.606926 6.635411 4.700447 6.126331 5.940084 8.909825 7.487644 4.139599 8.396162 5.775660 8.379476 6.878891 8.112676 2.710541 1.104642 2.201656 4.865397 6.517681 7.278416 4.115389 8.863765 9.314112 9.711986 8.191523 9.085975 8.990106 4.827158 9.416813 6.941110 9.004195 1.791221 0.000000 8.788664 7.600494 6.935107 3.402954 4.904455 8.413676 6.100182 8.555659 7.493649 5.939244 6.367098 7.318917 9.949978 7.753391 5.833339 9.697240 5.529480 8.342261 6.313210 7.710149 4.586064 2.160654 1.105015 5.365842 7.657902 7.860020 5.222399 10.141352 10.167488 10.740338 9.594959 10.162910 10.442749 4.437862 9.435149 6.021740 8.432027 2.557322 2.545025 0.000000 7.464015 6.132561 6.147838 2.680420 4.694621 7.044766 4.993257 7.328655 6.492290 4.686924 5.061013 5.924317 8.801411 6.384429 4.931885 8.232285 4.187428 6.914442 4.941225 6.294681 4.009175 2.178237 1.103349 4.516261 6.797005 6.980618 3.796394 9.068306 9.130647 9.481607 8.060509 8.645410 9.060450 3.173064 7.990388 4.726496 7.027272 3.116766 2.552645 1.788909 0.000000 7.242499 6.799430 6.080287 2.700712 4.676207 7.181658 4.626615 7.112656 6.004650 4.820877 4.809780 6.269921 8.489797 6.193307 4.947243 8.531299 3.991473 6.801882 4.868627 6.238387 4.012742 2.180593 1.103769 3.828410 6.297649 6.249690 4.237562 8.781486 8.611823 9.287805 8.587006 8.901537 9.288239 2.901481 7.893977 4.721413 7.024956 2.547670 3.117387 1.788000 1.793867 0.000000 C17H19NO5 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 298.1855999999998 AuxInfo=1/0/N:23,13,16,22,19,20,17,18,9,11,7,14,10,15,12,21,8,6,3,2,5,4,1/CRV:5.3,6.3,7.3,8.3,10.3,12.3,14.3,15.3,16.3,19.1,20.1,21.1/rA:42OO1O1OO1NCCCCC3C3CC3C3CC3C3C3C3C3CCHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s1s6;s7s8;s7;s7;s2s6s10;s8;s1s11;s3s10;s6;s11;s14;s17;s18s19;s4s5s15;s4;s22;s7;s9;s9;s10;s13;s13;s13;s16;s16;s16;s17;s18;s19;s20;s22;s22;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3505524 0.2217716 0.1586169 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= 15576 NPrTT= 79941 LenC2= 13837 LenP2D= 44055. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 268 RedAO= T EigKep= 6.68D-04 NBF= 268 NBsUse= 268 1.00D-06 EigRej= -1.00D+00 NBFU= 268 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 261 261 261 262 262 MxSgAt= 42 MxSgA2= 42. 1 Closed 1 0 1 -1088.21203869907 -1088.25308604423 -0.041047345154 -1088.14290725524 0.110178788989 -1086.34197132441 1.800935930822 -1086.34206852185 -0.000097197437 -1086.21289957179 0.129168950061 -1085.05205486733 1.160844704464 -1080.81581053104 4.236244336291 -1088.20414311873 -7.388332587693 -1086.23024076276 1.973902355970 -1088.54192672459 -2.311685961836 -1088.67885924732 -0.136932522730 -1088.71413879390 -0.035279546576 -1088.72002261540 -0.005883821502 -1088.72224157843 -0.002218963028 -1088.72238729262 -0.000145714193 -1088.72239378586 -0.000006493233 -1088.72239543997 -0.000001654118 -1088.72239571967 -0.000000279700 -1088.72239588113 -0.000000161458 -1088.72239593479 -0.000000053656 -1088.72239594309 -0.000000008303 -1088.72239594416 -0.000000001066 -1088.72239594428 -0.000000000121 -1088.72239594424 0.000000000040 -1088.72239594430 -0.000000000061 -1088.72239594 26 1.083583212249e+03 -6.600450294256e+03 2.398867422360e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. IVT= 237766 IEndB= 237766 NGot= 402653184 MDV= 402504151 LenX= 402504151 LenY= 402431886 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. Fock matrices will be formed incrementally for 20 cycles. Integral accuracy reduced to 1.0D-05 until final iterations. Using compressed storage, NAtomX= 42. Will process 43 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=111111111111111111111111111111111111111111 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= 402652492 using IRadAn= 2. Generate precomputed XC quadrature information. Solving linear equations simultaneously, MaxMat= 0. FoFJK: IHMeth= 1 ICntrl= 500 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 790000000 NMat= 129 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 2. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 129 NMatS0= 129 NMatT0= 0 NMatD0= 129 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. There are 129 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 126 vectors produced by pass 0 Test12= 1.55D-14 1.00D-09 XBig12= 4.05D+02 7.28D+00. AX will form 126 AO Fock derivatives at one time. 126 vectors produced by pass 1 Test12= 1.55D-14 1.00D-09 XBig12= 1.72D+02 2.43D+00. 126 vectors produced by pass 2 Test12= 1.55D-14 1.00D-09 XBig12= 5.80D-01 6.06D-02. 126 vectors produced by pass 3 Test12= 1.55D-14 1.00D-09 XBig12= 2.60D-04 1.08D-03. 91 vectors produced by pass 4 Test12= 1.55D-14 1.00D-09 XBig12= 3.85D-08 1.49D-05. 9 vectors produced by pass 5 Test12= 1.55D-14 1.00D-09 XBig12= 4.54D-12 2.05D-07. 3 vectors produced by pass 6 Test12= 1.55D-14 1.00D-09 XBig12= 2.04D-15 2.81D-09. InvSVY: IOpt=1 It= 1 EMax= 1.95D-14 Solved reduced A of dimension 607 with 129 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 201.21 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 232.237 -0.184 231.372 -1.087 13.242 140.035 410.855 9.819 426.456 -13.623 39.643 257.124 (Enter /mnt/data/applications/G09/g09/l716.exe) PT7910.800S Mon Jan 8 23:17:38 2018 -18.83192 -18.79460 -18.79310 -18.78674 -18.73821 -14.04456 -10.04924 -10.02359 -10.01722 -10.00887 -9.97712 -9.96915 -9.94273 -9.93790 -9.92452 -9.92258 -9.92026 -9.91452 -9.91438 -9.91362 -9.91011 -9.90932 -9.90437 -1.03290 -0.98850 -0.97782 -0.95467 -0.95113 -0.86249 -0.79394 -0.76905 -0.73307 -0.72341 -0.69432 -0.67982 -0.66064 -0.64627 -0.62880 -0.58937 -0.58383 -0.56627 -0.55754 -0.54377 -0.51496 -0.49134 -0.48807 -0.46448 -0.45785 -0.45615 -0.45032 -0.43718 -0.42304 -0.41905 -0.41061 -0.40494 -0.40240 -0.39373 -0.38631 -0.38438 -0.37711 -0.37140 -0.36806 -0.36403 -0.36362 -0.36107 -0.35665 -0.35191 -0.34857 -0.33630 -0.33353 -0.32928 -0.32615 -0.31979 -0.31671 -0.30802 -0.29569 -0.28149 -0.27666 -0.25883 -0.23601 -0.22627 -0.21993 -0.20984 -0.19979 -0.13374 -0.04867 -0.04199 -0.03189 -0.01697 0.03089 0.04881 0.05641 0.07089 0.07199 0.07840 0.08659 0.09401 0.09853 0.10655 0.11007 0.11768 0.11912 0.12709 0.13132 0.13212 0.13810 0.14053 0.14435 0.14650 0.15068 0.15135 0.16014 0.16141 0.16667 0.17073 0.17339 0.17820 0.18548 0.19489 0.20060 0.20394 0.20884 0.21196 0.21974 0.22419 0.23161 0.23531 0.23765 0.25201 0.25395 0.25625 0.26474 0.27133 0.27741 0.28222 0.28585 0.28698 0.30288 0.30448 0.31440 0.31881 0.32425 0.33806 0.34279 0.34854 0.34900 0.35459 0.35785 0.36113 0.36413 0.37682 0.38421 0.38637 0.39773 0.40028 0.40418 0.40956 0.41803 0.42288 0.42820 0.43635 0.44565 0.44767 0.45553 0.46838 0.46893 0.47222 0.49359 0.49931 0.50838 0.51200 0.51829 0.53404 0.54354 0.55289 0.56320 0.57665 0.59678 0.61208 0.61842 0.62146 0.64541 0.65797 0.68641 0.69308 0.70525 0.73170 0.74022 0.75250 0.75365 0.76339 0.77626 0.79180 0.81779 0.83214 0.84333 0.84763 0.85143 0.87130 0.88327 0.90011 0.90643 0.91339 0.92588 0.94268 0.95494 0.96193 0.96472 0.98067 0.99569 1.01306 1.03037 1.03773 1.04345 1.05452 1.06540 1.06809 1.07701 1.08026 1.09013 1.10432 1.12287 1.12316 1.14452 1.16492 1.16851 1.18714 1.19194 1.20702 1.21755 1.22263 1.26162 1.28299 1.31871 1.34638 1.36697 1.43701 1.48481 1.50455 1.51842 1.63770 1.67589 1.72420 1.77486 1.84451 22.29283 22.38148 22.46726 22.47823 22.52410 22.54754 22.55640 22.57692 22.59871 22.60042 22.62003 22.62551 22.66499 22.67345 22.67977 22.71247 22.78464 31.52967 41.48149 41.51949 41.52249 41.57936 41.59363 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 O O O O O N C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H -0.257735 -0.262133 -0.130830 -0.271137 -0.190115 -0.149185 -0.340525 0.312490 -0.553016 -0.267636 0.383073 0.161983 -0.745130 0.168762 0.094411 -0.642977 -0.421543 -0.388652 -0.252791 -0.214867 0.160830 -0.222229 -0.673131 0.284532 0.265070 0.250125 0.316185 0.232761 0.236004 0.246051 0.277760 0.245950 0.237428 0.241857 0.250179 0.227292 0.230897 0.236335 0.241441 0.222146 0.234661 0.225406 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 O O O O O N C C C C C C C C C C C C C C C C C -0.257735 -0.262133 -0.130830 -0.271137 -0.190115 -0.149185 -0.055993 0.312490 -0.037821 0.048549 0.383073 0.161983 -0.030313 0.168762 0.094411 0.118162 -0.179686 -0.138473 -0.025498 0.016030 0.160830 0.255547 0.009083 0.00000 2.25862401e-01 1.84558977e+00 -9.66241016e-01 2.32236544e+02 -1.84129010e-01 2.31371884e+02 -1.08726638e+00 1.32420492e+01 1.40034769e+02 -0.0008 -0.0002 0.0002 1.3945 4.5574 7.8028 18.5607 31.8159 35.6069 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 18.5133 31.7454 35.5911 58.6542 66.4076 75.6594 95.1923 121.1771 129.1427 139.0415 163.1725 180.4415 211.5855 227.6554 241.2839 252.6224 255.8883 286.1451 313.6245 328.2628 342.3122 355.9161 364.6843 370.0552 404.5361 421.8598 444.7845 477.8069 487.7460 493.9133 517.9347 555.0785 567.8365 591.7448 601.7242 621.1501 656.0972 708.5693 725.6563 738.6655 762.1330 769.7607 781.8300 798.4584 809.4918 825.5533 852.5811 864.1176 877.9290 891.9509 917.8983 947.3772 963.3600 979.1490 1007.9590 1017.6649 1029.9264 1031.4687 1054.2560 1074.2415 1092.9367 1102.7729 1111.8605 1123.1655 1125.0517 1133.7567 1143.3874 1167.5836 1171.9999 1183.6538 1203.8425 1215.9612 1236.0552 1250.6037 1262.9442 1271.5187 1279.3544 1319.5840 1321.0998 1348.4980 1352.8913 1380.5905 1387.7038 1393.1745 1403.0684 1416.0860 1443.5427 1457.5142 1466.3947 1468.2609 1471.5585 1472.5979 1473.8442 1484.4994 1484.8981 1499.2645 1584.5172 1588.2710 1616.1228 1619.1530 1635.1422 2995.7053 2995.9231 3008.2016 3014.6137 3020.3574 3032.3817 3072.2158 3073.9821 3085.1198 3087.4654 3092.8078 3107.3623 3109.2648 3116.8806 3117.4063 3124.6769 3137.2950 3155.7091 3170.5698 4.0837 6.0750 5.2312 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