Gaussian 09 GINC-KIMIK2107 CBGUSER 000142337 EM64L-G09RevD.01 17-Jul-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 216.1925999999999 0 1 AuxInfo=1/0/N:15,16,17,18,11,12,13,14,3,4,5,6,7,8,9,10,1,2/E:(1,2,3,4)(5,6,7,8)(9,10,11,12)(13,14,15,16)(17,18)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,13.3,14.3,15.3,16.3/rA:36CCCCCCC3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:s1;s1;s1;s2;s2;s3;s4s7;s5;s6s9;s7;s8;s9;s10;s11;s12s15;s13;s14s17;s1;s2;s3;s3;s4;s4;s5;s5;s6;s6;s11;s12;s13;s14;s15;s16;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-29648.inp" -scrdir="/scratch/" chk=000142337.chk nprocshared=8 mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 1/7=-1,14=-1,18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,15=1,17=6,18=5,40=1/2 3/5=17,6=7,11=2,16=1,24=10,25=1,30=1,71=1,74=1009/1,2,3 4//1 5/5=2,38=5/2 6/7=3,28=1,40=-1,79=1/1,7 7/30=1/1,2,3,16 1/7=-1,14=-1,18=20,19=15,26=3/3(2) 2/9=110,15=1/2 99//99 2/9=110,15=1/2 3/5=17,6=7,11=2,16=1,25=1,30=1,71=1,74=1009/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7/30=1/1,2,3,16 1/7=-1,14=-1,18=20,19=15,26=3/3(-5) 2/9=110,15=1/2 6/7=3,19=2,28=1,40=-1,79=1/1,7 99/9=1/99 000142337 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 12 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 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 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 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 1 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 8 9 9 10 11 11 12 12 13 13 14 14 15 15 16 17 17 18 2 3 4 19 5 6 20 7 21 22 8 23 24 9 25 26 10 27 28 8 11 12 10 13 14 15 29 16 30 17 31 18 32 16 33 34 18 35 36 1.5206 1.5439 1.5439 1.1013 1.544 1.544 1.1014 1.4962 1.0954 1.0942 1.4963 1.0942 1.0954 1.4963 1.0953 1.0943 1.4962 1.0942 1.0954 1.399 1.3848 1.3848 1.3989 1.3848 1.3849 1.3965 1.0847 1.3965 1.0847 1.3966 1.0846 1.3965 1.0847 1.4037 1.0866 1.0867 1.4038 1.0866 1.0866 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 2 2 2 3 3 4 1 1 1 5 5 6 1 1 1 7 7 21 1 1 1 8 8 23 2 2 2 9 9 25 2 2 2 10 10 27 3 3 8 4 4 7 5 5 10 6 6 9 7 7 15 8 8 16 9 9 17 10 10 18 11 11 16 12 12 15 13 13 18 14 14 17 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 3 4 19 4 19 19 5 6 20 6 20 20 7 21 22 21 22 22 8 23 24 23 24 24 9 25 26 25 26 26 10 27 28 27 28 28 8 11 11 7 12 12 10 13 13 9 14 14 15 29 29 16 30 30 17 31 31 18 32 32 16 33 33 15 34 34 18 35 35 17 36 36 112.6469 112.6464 109.4246 106.3624 107.7631 107.7565 112.6478 112.6473 109.4301 106.3544 107.7677 107.7523 101.3782 112.2508 111.3313 109.7604 111.9618 109.9299 101.3803 111.3299 112.25 111.9646 109.7605 109.9274 101.3798 112.253 111.3209 109.7655 111.9624 109.9308 101.3772 111.329 112.2479 111.9603 109.7639 109.9335 111.0119 127.9114 121.0411 111.0079 127.9075 121.0492 111.0077 127.9116 121.0452 111.0169 127.9011 121.0465 118.3098 121.1715 120.5186 118.3067 121.1682 120.525 118.312 121.1715 120.5165 118.3089 121.1696 120.5215 120.6465 119.7582 119.5943 120.6416 119.7591 119.5984 120.6404 119.7577 119.6009 120.6421 119.7599 119.597 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 3 3 3 4 4 4 19 19 19 2 2 2 4 4 4 19 19 19 2 2 2 3 3 3 19 19 19 1 1 1 6 6 6 20 20 20 1 1 1 5 5 5 20 20 20 1 1 21 21 22 22 1 1 23 23 24 24 2 2 25 25 26 26 2 2 27 27 28 28 3 3 11 11 3 3 8 8 4 4 7 7 5 5 13 13 5 5 10 10 6 6 9 9 7 7 29 29 8 8 30 30 9 9 31 31 10 10 32 32 11 11 33 33 13 13 35 35 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 7 7 8 8 8 8 9 9 9 9 9 9 9 9 10 10 10 10 11 11 11 11 12 12 12 12 13 13 13 13 14 14 14 14 15 15 15 15 17 17 17 17 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 6 6 6 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 8 8 8 8 11 11 11 11 12 12 12 12 10 10 10 10 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 16 16 16 16 18 18 18 18 5 6 20 5 6 20 5 6 20 7 21 22 7 21 22 7 21 22 8 23 24 8 23 24 8 23 24 9 25 26 9 25 26 9 25 26 10 27 28 10 27 28 10 27 28 8 11 8 11 8 11 7 12 7 12 7 12 10 13 10 13 10 13 9 14 9 14 9 14 4 12 4 12 15 29 15 29 16 30 16 30 6 14 6 14 17 31 17 31 18 32 18 32 16 33 16 33 15 34 15 34 18 35 18 35 17 36 17 36 12 34 12 34 14 36 14 36 59.8374 -179.8525 -60.0174 -179.8434 -59.5333 60.3019 -60.0073 60.3028 -179.8621 152.3384 35.2771 -88.444 28.4677 -88.5936 147.6853 -86.8612 156.0775 32.3564 -152.3354 88.4431 -35.2731 -28.4644 -147.6859 88.5979 86.869 -32.3525 -156.0687 152.341 35.2718 -88.4444 28.4743 -88.5949 147.6889 -86.848 156.0828 32.3666 -152.3367 88.4489 -35.2731 -28.4697 -147.6841 88.5939 86.863 -32.3514 -156.0734 -17.823 164.3547 101.0398 -76.7825 -136.5891 45.5887 17.8119 -164.3593 136.5789 -45.5923 -101.0512 76.7776 -17.8283 164.3483 101.04 -76.7833 -136.5835 45.5931 17.8176 -164.3585 136.5798 -45.5963 -101.0429 76.7811 0.0072 -177.9933 178.002 0.0015 178.2015 -1.6985 0.5743 -179.3257 -178.2063 1.6871 -0.5723 179.3211 0.0068 -177.9891 178.0025 0.0066 178.1929 -1.6976 0.5647 -179.3258 -178.2015 1.6921 -0.5726 179.321 -0.5769 179.7943 179.3238 -0.305 0.5649 -179.7884 -179.3293 0.3174 -0.5673 179.7987 179.3239 -0.3102 0.5652 -179.7942 -179.3291 0.3115 0.0087 -179.6386 179.638 -0.0092 0.0036 -179.6376 179.6382 -0.003 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 216 216 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 36 36 36 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= 10440 NPrTT= 53082 LenC2= 9209 LenP2D= 30309. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 216 RedAO= T EigKep= 5.25D-04 NBF= 216 NBsUse= 216 1.00D-06 EigRej= -1.00D+00 NBFU= 216 Using GEDIIS/GDIIS optimizer. local minimum Step number 5 out of a maximum of 216 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00295 0.00457 0.00493 0.01123 0.01123 0.01274 0.01447 0.01677 0.01678 0.02076 0.02077 0.02101 0.02107 0.02107 0.02108 0.02213 0.02215 0.02216 0.02217 0.02217 0.02224 0.03126 0.03126 0.03251 0.03280 0.04262 0.04262 0.04608 0.04755 0.05354 0.05386 0.05928 0.05928 0.06210 0.06225 0.08018 0.08018 0.08172 0.08180 0.08312 0.08312 0.09241 0.09441 0.13860 0.13860 0.15990 0.15998 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.19849 0.21671 0.22000 0.22000 0.22618 0.23240 0.23240 0.23659 0.24609 0.24609 0.27129 0.27135 0.27207 0.27234 0.31024 0.31025 0.31517 0.32495 0.33171 0.33538 0.33857 0.34198 0.34200 0.34206 0.34227 0.34322 0.34330 0.34335 0.34413 0.35196 0.35203 0.35210 0.35287 0.35427 0.35432 0.35443 0.35662 0.39933 0.40089 0.42781 0.42785 0.44460 0.45293 0.45558 0.45949 0.47406 0.47416 0.47891 0.48866 RFO step: Lambda=-3.29039699D-07. 1 2 3 0.00170762 0.00000190 0.00000000 0.00000095 0.00000049 0.00000049 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 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 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 2.90536 2.95748 2.95748 2.10015 2.95748 2.95747 2.10015 2.87715 2.10032 2.08858 2.87715 2.08858 2.10032 2.87715 2.10032 2.08858 2.87715 2.08858 2.10032 2.68488 2.66280 2.66280 2.68488 2.66280 2.66280 2.67872 2.07222 2.67872 2.07222 2.67872 2.07222 2.67873 2.07222 2.67512 2.07135 2.07135 2.67512 2.07135 2.07135 1.99693 1.99693 1.89223 1.81635 1.87728 1.87727 1.99693 1.99693 1.89222 1.81636 1.87728 1.87727 1.80672 1.91992 1.96810 1.92471 1.97916 1.86579 1.80672 1.96810 1.91992 1.97915 1.92471 1.86578 1.80672 1.91992 1.96810 1.92471 1.97916 1.86579 1.80673 1.96810 1.91992 1.97915 1.92471 1.86578 1.92177 2.25839 2.10281 1.92176 2.25840 2.10281 1.92177 2.25839 2.10281 1.92176 2.25840 2.10281 2.07895 2.10692 2.09731 2.07895 2.10692 2.09731 2.07895 2.10691 2.09731 2.07895 2.10692 2.09731 2.10142 2.09242 2.08933 2.10142 2.09242 2.08933 2.10142 2.09243 2.08933 2.10142 2.09242 2.08933 1.04803 3.14157 -1.04680 3.14156 -1.04808 1.04674 -1.04680 1.04674 3.14156 2.68051 0.62400 -1.45692 0.48884 -1.56768 2.63459 -1.49953 2.72715 0.64623 -2.68051 1.45692 -0.62400 -0.48884 -2.63459 1.56767 1.49953 -0.64622 -2.72714 2.68051 0.62400 -1.45692 0.48883 -1.56768 2.63459 -1.49953 2.72714 0.64622 -2.68051 1.45692 -0.62400 -0.48883 -2.63459 1.56768 1.49954 -0.64622 -2.72713 -0.31272 2.85165 1.74046 -1.37836 -2.45114 0.71324 0.31272 -2.85165 2.45114 -0.71322 -1.74045 1.37836 -0.31271 2.85166 1.74046 -1.37836 -2.45114 0.71324 0.31271 -2.85166 2.45114 -0.71323 -1.74046 1.37835 0.00000 -3.12117 3.12117 0.00000 3.12136 -0.02640 0.00459 3.14002 -3.12136 0.02640 -0.00458 -3.14001 0.00000 -3.12117 3.12117 0.00000 3.12136 -0.02640 0.00459 3.14002 -3.12136 0.02640 -0.00458 -3.14001 -0.00458 3.13286 -3.14004 -0.00261 0.00458 -3.13286 3.14004 0.00260 -0.00458 3.13285 -3.14004 -0.00261 0.00458 -3.13286 3.14004 0.00261 -0.00001 3.13744 -3.13745 0.00000 0.00000 3.13744 -3.13745 0.00000 0.00001 0.00001 0.00001 0.00000 0.00001 0.00001 0.00000 0.00008 -0.00004 -0.00006 0.00008 -0.00006 -0.00004 0.00008 -0.00004 -0.00006 0.00008 -0.00006 -0.00004 0.00003 -0.00006 -0.00006 0.00003 -0.00006 -0.00006 0.00006 -0.00001 0.00006 -0.00001 0.00006 -0.00001 0.00006 -0.00001 -0.00005 0.00000 0.00000 -0.00005 0.00000 0.00000 0.00001 0.00001 0.00001 -0.00002 0.00000 0.00000 0.00001 0.00001 0.00001 -0.00002 0.00000 0.00000 0.00003 -0.00004 -0.00001 -0.00001 -0.00002 0.00005 0.00003 -0.00001 -0.00003 -0.00002 -0.00001 0.00005 0.00003 -0.00004 -0.00001 -0.00001 -0.00002 0.00005 0.00003 -0.00001 -0.00003 -0.00002 -0.00001 0.00005 -0.00002 0.00002 0.00000 -0.00002 0.00002 0.00000 -0.00002 0.00002 0.00000 -0.00002 0.00002 0.00000 0.00000 0.00001 -0.00002 0.00000 0.00001 -0.00002 0.00000 0.00001 -0.00002 0.00000 0.00001 -0.00002 -0.00001 0.00001 0.00000 -0.00001 0.00001 0.00000 -0.00001 0.00001 0.00000 -0.00001 0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 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-0.00021 0.00020 -0.00003 0.00020 -0.00003 0.00020 -0.00004 0.00020 -0.00003 -0.00015 -0.00002 -0.00002 -0.00015 -0.00002 -0.00002 0.00010 0.00010 0.00039 -0.00042 -0.00011 -0.00011 0.00010 0.00010 0.00039 -0.00042 -0.00011 -0.00011 -0.00015 -0.00060 0.00015 -0.00023 -0.00014 0.00088 -0.00015 0.00014 -0.00060 -0.00013 -0.00022 0.00088 -0.00015 -0.00060 0.00015 -0.00022 -0.00014 0.00088 -0.00015 0.00014 -0.00060 -0.00013 -0.00022 0.00088 -0.00021 0.00022 0.00001 -0.00021 0.00022 0.00001 -0.00021 0.00022 0.00001 -0.00021 0.00022 0.00000 0.00000 0.00013 -0.00014 0.00000 0.00013 -0.00014 0.00000 0.00013 -0.00014 0.00001 0.00013 -0.00014 -0.00001 0.00003 -0.00002 -0.00001 0.00003 -0.00002 -0.00001 0.00003 -0.00002 -0.00001 0.00003 -0.00002 0.00043 0.00002 0.00023 0.00003 -0.00038 -0.00017 0.00023 -0.00017 0.00003 0.00167 0.00229 0.00149 0.00179 0.00241 0.00161 0.00215 0.00277 0.00197 -0.00167 -0.00150 -0.00229 -0.00179 -0.00161 -0.00240 -0.00215 -0.00198 -0.00277 0.00168 0.00229 0.00150 0.00179 0.00241 0.00161 0.00216 0.00277 0.00197 -0.00168 -0.00150 -0.00229 -0.00179 -0.00161 -0.00241 -0.00216 -0.00198 -0.00278 -0.00115 -0.00204 -0.00203 -0.00292 -0.00116 -0.00204 0.00115 0.00203 0.00115 0.00203 0.00203 0.00291 -0.00115 -0.00204 -0.00203 -0.00292 -0.00116 -0.00205 0.00115 0.00204 0.00115 0.00204 0.00203 0.00292 0.00000 -0.00080 0.00080 0.00000 0.00107 0.00100 0.00010 0.00003 -0.00106 -0.00100 -0.00010 -0.00004 0.00000 -0.00080 0.00080 0.00000 0.00106 0.00100 0.00010 0.00003 -0.00106 -0.00100 -0.00010 -0.00004 -0.00011 -0.00020 -0.00004 -0.00013 0.00010 0.00020 0.00003 0.00014 -0.00010 -0.00020 -0.00004 -0.00013 0.00010 0.00020 0.00004 0.00013 0.00001 -0.00009 0.00010 0.00000 0.00000 -0.00010 0.00010 0.00000 2.90526 2.95747 2.95747 2.10016 2.95747 2.95747 2.10016 2.87742 2.10021 2.08836 2.87742 2.08836 2.10021 2.87742 2.10021 2.08836 2.87742 2.08836 2.10021 2.68505 2.66259 2.66259 2.68505 2.66259 2.66259 2.67892 2.07219 2.67892 2.07219 2.67892 2.07219 2.67892 2.07219 2.67497 2.07133 2.07133 2.67497 2.07133 2.07133 1.99703 1.99703 1.89261 1.81593 1.87716 1.87716 1.99703 1.99703 1.89261 1.81593 1.87716 1.87716 1.80657 1.91932 1.96825 1.92448 1.97902 1.86666 1.80657 1.96825 1.91932 1.97903 1.92448 1.86666 1.80658 1.91932 1.96825 1.92448 1.97902 1.86666 1.80657 1.96825 1.91932 1.97902 1.92448 1.86666 1.92155 2.25861 2.10282 1.92155 2.25862 2.10281 1.92155 2.25861 2.10282 1.92155 2.25862 2.10281 2.07895 2.10705 2.09717 2.07895 2.10705 2.09717 2.07895 2.10705 2.09717 2.07895 2.10705 2.09717 2.10141 2.09246 2.08931 2.10141 2.09246 2.08931 2.10141 2.09246 2.08931 2.10141 2.09246 2.08931 1.04846 3.14159 -1.04657 3.14159 -1.04846 1.04657 -1.04657 1.04657 3.14159 2.68219 0.62629 -1.45543 0.49063 -1.56527 2.63620 -1.49738 2.72991 0.64820 -2.68219 1.45542 -0.62629 -0.49063 -2.63620 1.56527 1.49738 -0.64820 -2.72991 2.68219 0.62629 -1.45542 0.49063 -1.56527 2.63620 -1.49738 2.72991 0.64820 -2.68219 1.45542 -0.62629 -0.49062 -2.63620 1.56527 1.49738 -0.64820 -2.72991 -0.31386 2.84962 1.73843 -1.38128 -2.45229 0.71119 0.31387 -2.84962 2.45229 -0.71119 -1.73843 1.38127 -0.31387 2.84962 1.73843 -1.38127 -2.45229 0.71119 0.31386 -2.84962 2.45229 -0.71119 -1.73843 1.38127 0.00000 -3.12197 3.12197 0.00000 3.12242 -0.02540 0.00469 3.14005 -3.12242 0.02540 -0.00468 -3.14005 0.00000 -3.12197 3.12197 0.00000 3.12242 -0.02540 0.00468 3.14005 -3.12242 0.02540 -0.00468 -3.14005 -0.00468 3.13266 -3.14008 -0.00274 0.00468 -3.13266 3.14008 0.00274 -0.00468 3.13266 -3.14008 -0.00274 0.00468 -3.13266 3.14008 0.00274 0.00000 3.13735 -3.13735 0.00000 0.00000 3.13735 -3.13735 0.00000 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000085 0.000024 0.006423 0.001708 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -7.463298e-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 1 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 8 9 9 10 11 11 12 12 13 13 14 14 15 15 16 17 17 18 2 3 4 19 5 6 20 7 21 22 8 23 24 9 25 26 10 27 28 8 11 12 10 13 14 15 29 16 30 17 31 18 32 16 33 34 18 35 36 1.5374 1.565 1.565 1.1114 1.565 1.565 1.1114 1.5225 1.1114 1.1052 1.5225 1.1052 1.1114 1.5225 1.1114 1.1052 1.5225 1.1052 1.1114 1.4208 1.4091 1.4091 1.4208 1.4091 1.4091 1.4175 1.0966 1.4175 1.0966 1.4175 1.0966 1.4175 1.0966 1.4156 1.0961 1.0961 1.4156 1.0961 1.0961 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0001|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0001|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = -0.0001|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 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 2 2 2 3 3 4 1 1 1 5 5 6 1 1 1 7 7 21 1 1 1 8 8 23 2 2 2 9 9 25 2 2 2 10 10 27 3 3 8 4 4 7 5 5 10 6 6 9 7 7 15 8 8 16 9 9 17 10 10 18 11 11 16 12 12 15 13 13 18 14 14 17 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 3 4 19 4 19 19 5 6 20 6 20 20 7 21 22 21 22 22 8 23 24 23 24 24 9 25 26 25 26 26 10 27 28 27 28 28 8 11 11 7 12 12 10 13 13 9 14 14 15 29 29 16 30 30 17 31 31 18 32 32 16 33 33 15 34 34 18 35 35 17 36 36 114.4155 114.4155 108.4165 104.0694 107.56 107.5597 114.4156 114.4154 108.4163 104.0695 107.56 107.5598 103.5175 110.0032 112.7637 110.2777 113.3976 106.9016 103.5177 112.7641 110.0032 113.3972 110.2776 106.9016 103.5175 110.0033 112.7639 110.2775 113.3975 106.9016 103.5178 112.764 110.0033 113.3972 110.2776 106.9015 110.1091 129.3964 120.482 110.1089 129.3966 120.482 110.1092 129.3964 120.4819 110.1088 129.3966 120.4821 119.1149 120.7173 120.1668 119.1148 120.7174 120.1668 119.1149 120.7173 120.1669 119.1148 120.7174 120.1669 120.4026 119.887 119.7099 120.4027 119.8871 119.7098 120.4027 119.8871 119.7097 120.4026 119.8871 119.7098 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-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 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 3 3 3 4 4 4 19 19 19 2 2 2 4 4 4 19 19 19 2 2 2 3 3 3 19 19 19 1 1 1 6 6 6 20 20 20 1 1 1 5 5 5 20 20 20 1 1 21 21 22 22 1 1 23 23 24 24 2 2 25 25 26 26 2 2 27 27 28 28 3 3 11 11 3 3 8 8 4 4 7 7 5 5 13 13 5 5 10 10 6 6 9 9 7 7 29 29 8 8 30 30 9 9 31 31 10 10 32 32 11 11 33 33 13 13 35 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 7 7 8 8 8 8 9 9 9 9 9 9 9 9 10 10 10 10 11 11 11 11 12 12 12 12 13 13 13 13 14 14 14 14 15 15 15 15 17 17 17 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 6 6 6 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 8 8 8 8 11 11 11 11 12 12 12 12 10 10 10 10 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 16 16 16 16 18 18 18 5 6 20 5 6 20 5 6 20 7 21 22 7 21 22 7 21 22 8 23 24 8 23 24 8 23 24 9 25 26 9 25 26 9 25 26 10 27 28 10 27 28 10 27 28 8 11 8 11 8 11 7 12 7 12 7 12 10 13 10 13 10 13 9 14 9 14 9 14 4 12 4 12 15 29 15 29 16 30 16 30 6 14 6 14 17 31 17 31 18 32 18 32 16 33 16 33 15 34 15 34 18 35 18 35 17 36 17 36 12 34 12 34 14 36 14 60.0475 179.9986 -59.9772 179.9984 -60.0505 59.9737 -59.9773 59.9738 179.9981 153.582 35.7525 -83.4753 28.0083 -89.8212 150.951 -85.9166 156.2539 37.0261 -153.5822 83.4753 -35.7527 -28.0084 -150.951 89.8211 85.9167 -37.0258 -156.2538 153.5819 35.7525 -83.4754 28.0081 -89.8213 150.9508 -85.917 156.2536 37.0257 -153.582 83.4755 -35.7524 -28.0082 -150.9507 89.8215 85.9171 -37.0254 -156.2533 -17.9173 163.3878 99.7208 -78.9741 -140.4397 40.8654 17.9174 -163.3875 140.4403 -40.8647 -99.7206 78.9744 -17.9172 163.388 99.7209 -78.9739 -140.4398 40.8654 17.9172 -163.3878 140.4399 -40.8651 -99.7211 78.9739 -0.0001 -178.8299 178.8297 -0.0002 178.8406 -1.5125 0.2627 179.9096 -178.8406 1.5127 -0.2626 -179.9092 0.0 -178.8298 178.8297 -0.0002 178.8406 -1.5126 0.2629 179.9096 -178.8407 1.5126 -0.2627 -179.9094 -0.2622 179.4994 -179.9111 -0.1495 0.2626 -179.4996 179.9112 0.1491 -0.2625 179.4994 -179.9113 -0.1494 0.2626 -179.4994 179.9113 0.1493 -0.0003 179.7623 -179.7624 0.0002 -0.0001 179.7623 -179.7624 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0 216.1925999999999 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-106.4646 -96.6866 -110.5906 0.0001 -0.1762 0.0003 -1.8840 7.8940 -6.0100 0.0001 -0.1762 0.0003 0.0166 0.0104 0.0005 0.0019 -0.0127 -0.0030 0.0001 -0.0038 0.0001 0.0766 -7429.1897 -845.7295 -170.3847 -0.0131 20.2191 -0.0027 0.0046 -4.6896 0.0043 -1345.6375 -1539.2029 -186.0283 -0.0031 1.7212 -0.0017 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 216.1925999999999 AuxInfo=1/0/N:15,16,17,18,11,12,13,14,3,4,5,6,7,8,9,10,1,2/E:(1,2,3,4)(5,6,7,8)(9,10,11,12)(13,14,15,16)(17,18)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,13.3,14.3,15.3,16.3/rA:36CCCCCCC3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:s1;s1;s1;s2;s2;s3;s4s7;s5;s6s9;s7;s8;s9;s10;s11;s12s15;s13;s14s17;s1;s2;s3;s3;s4;s4;s5;s5;s6;s6;s11;s12;s13;s14;s15;s16;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 1.537449 0.000000 1.565030 2.608111 0.000000 1.565029 2.608109 2.467687 0.000000 2.608110 1.565029 3.170141 4.017381 0.000000 2.608107 1.565028 4.017380 3.170165 2.467686 0.000000 2.425143 3.794546 1.522523 2.413317 4.619903 4.984941 0.000000 2.425144 3.794546 2.413320 1.522523 4.984936 4.619920 1.420776 0.000000 3.794544 2.425142 4.619903 4.984942 1.522523 2.413316 6.014761 6.180294 0.000000 3.794546 2.425145 4.984938 4.619922 2.413322 1.522524 6.180296 6.014776 1.420777 0.000000 3.797376 5.142877 2.650828 3.749754 5.804847 6.382019 1.409094 2.456676 7.262920 7.536567 0.000000 3.797377 5.142878 3.749757 2.650830 6.382016 5.804869 2.456676 1.409094 7.536568 7.262939 2.850351 0.000000 5.142876 3.797376 5.804848 6.382020 2.650829 3.749754 7.262921 7.536566 1.409095 2.456676 8.440975 8.909251 0.000000 5.142877 3.797378 6.382017 5.804870 3.749758 2.650830 7.536569 7.262938 2.456677 1.409093 8.909251 8.440998 2.850351 0.000000 4.787943 6.204445 3.902115 4.326636 7.041833 7.285663 2.436934 2.819559 8.449003 8.567209 1.417520 2.458527 9.689195 9.895239 0.000000 4.787943 6.204445 4.326637 3.902115 7.285654 7.041850 2.819559 2.436934 8.567204 8.449016 2.458526 1.417520 9.895230 9.689213 1.415612 0.000000 6.204443 4.787942 7.041834 7.285664 3.902115 4.326636 8.449003 8.567208 2.436934 2.819558 9.689195 9.895238 1.417520 2.458527 10.884449 10.976124 0.000000 6.204444 4.787944 7.285655 7.041852 4.326638 3.902116 8.567206 8.449016 2.819560 2.436933 9.895231 9.689214 2.458527 1.417521 10.976125 10.884461 1.415611 0.000000 1.111353 2.162974 2.175761 2.175756 2.840339 2.840308 2.860280 2.860278 3.955823 3.955814 4.097322 4.097319 5.256528 5.256511 5.034711 5.034708 6.294524 6.294519 0.000000 2.162971 1.111353 2.840336 2.840306 2.175760 2.175755 3.955822 3.955812 2.860283 2.860284 5.256527 5.256512 4.097327 4.097326 6.294525 6.294519 5.034716 5.034716 3.076257 0.000000 2.207860 2.708813 1.111439 2.965501 3.210257 4.226683 2.174006 3.013033 4.588024 5.040056 3.112852 4.291962 5.683018 6.405310 4.360431 4.832143 6.922307 7.228741 3.072466 2.514393 0.000000 2.238171 3.095421 1.105227 3.417601 3.130299 4.500802 2.208181 3.301144 4.648604 5.256523 2.949458 4.558461 5.684789 6.663115 4.306300 4.954171 7.007339 7.423101 2.420040 3.504910 1.780754 0.000000 2.238175 3.095424 3.417604 1.105228 4.500825 3.130324 3.301141 2.208177 5.256545 4.648633 4.558459 2.949452 6.663140 5.684818 4.954169 4.306295 7.423128 7.007370 2.420039 3.504873 4.019112 4.238171 0.000000 2.207858 2.708810 2.965500 1.111440 4.226670 3.210303 3.013027 2.174005 5.040055 4.588055 4.291956 3.112856 6.405305 5.683057 4.832139 4.360432 7.228749 6.922334 3.072461 2.514350 3.063151 4.019107 1.780754 0.000000 2.708812 2.207859 3.210257 4.226684 1.111439 2.965503 4.588023 5.040053 2.174004 3.013033 5.683014 6.405307 3.112850 4.291961 6.922304 7.228737 4.360428 4.832141 2.514397 3.072464 3.560574 2.878570 4.611805 4.696897 0.000000 3.095423 2.238171 3.130302 4.500805 1.105227 3.417600 4.648608 5.256524 2.208180 3.301145 5.684792 6.663117 2.949458 4.558462 7.007343 7.423103 4.306299 4.954172 3.504915 2.420039 2.878573 2.975951 5.178646 4.611758 1.780754 0.000000 3.095423 2.238173 4.500824 3.130325 3.417602 1.105228 5.256545 4.648632 3.301140 2.208177 6.663139 5.684819 4.558458 2.949454 7.423129 7.007371 4.954168 4.306297 3.504875 2.420036 4.611801 5.178644 2.975951 2.878635 4.019112 4.238168 0.000000 2.708809 2.207859 4.226672 3.210301 2.965505 1.111440 5.040054 4.588049 3.013031 2.174006 6.405303 5.683050 4.291959 3.112853 7.228746 6.922328 4.832141 4.360431 2.514354 3.072461 4.696898 4.611760 2.878632 3.560643 3.063159 4.019113 1.780753 0.000000 4.333400 5.551761 2.944975 4.595496 5.947221 6.914860 2.183249 3.454305 7.455477 7.921485 1.096572 3.946915 8.516308 9.322198 2.184967 3.451620 9.835763 10.192250 4.598184 5.657479 3.269322 2.898853 5.456961 5.112472 5.771587 5.661196 7.309209 6.982862 0.000000 4.333402 5.551764 4.595501 2.944980 6.914864 5.947250 3.454306 2.183250 7.921494 7.455504 3.946915 1.096572 9.322207 8.516341 3.451620 2.184966 10.192267 9.835793 4.598178 5.657456 5.112482 5.456963 2.898847 3.269332 6.982878 7.309190 5.661226 5.771637 5.043474 0.000000 5.551759 4.333398 5.947220 6.914860 2.944974 4.595495 7.455477 7.921482 2.183248 3.454305 8.516306 9.322196 1.096572 3.946916 9.835762 10.192247 2.184968 3.451621 5.657479 4.598186 5.771589 5.661192 7.309209 6.982861 3.269318 2.898851 5.456959 5.112476 8.449856 9.840583 0.000000 5.551762 4.333402 6.914865 5.947251 4.595501 2.944980 7.921494 7.455503 3.454306 2.183249 9.322206 8.516341 3.946916 1.096572 10.192267 9.835791 3.451620 2.184967 5.657453 4.598185 6.982881 7.309187 5.661223 5.771645 5.112480 5.456964 2.898850 3.269325 9.840584 8.449901 5.043475 0.000000 5.819707 7.225067 4.818547 5.421511 7.972793 8.351050 3.431797 3.915628 9.415649 9.602580 2.181575 3.448350 10.615307 10.946090 1.096110 2.177947 11.848322 11.996870 6.027246 7.300188 5.218472 5.085412 6.038682 5.907345 7.811666 7.863332 8.510978 8.287744 2.514754 4.352382 10.694094 11.268693 0.000000 5.819708 7.225068 5.421512 4.818549 8.351042 7.972813 3.915628 3.431797 9.602577 9.415665 3.448349 2.181575 10.946084 10.615329 2.177946 1.096110 11.996872 11.848338 6.027243 7.300179 5.907349 6.038684 5.085407 5.218474 8.287739 8.510952 7.863362 7.811695 4.352382 2.514754 11.268676 10.694128 2.502093 0.000000 7.225067 5.819708 7.972795 8.351052 4.818548 5.421511 9.415650 9.602579 3.431797 3.915627 10.615308 10.946090 2.181576 3.448349 11.848323 11.996870 1.096110 2.177945 7.300189 6.027252 7.811670 7.863330 8.510977 8.287748 5.218470 5.085412 6.038681 5.907347 10.694096 11.268694 2.514757 4.352382 12.787366 13.029867 0.000000 7.225068 5.819709 8.351044 7.972816 5.421513 4.818550 9.602579 9.415666 3.915629 3.431796 10.946085 10.615330 3.448349 2.181576 11.996874 11.848339 2.177946 1.096110 7.300179 6.027252 8.287744 8.510949 7.863361 7.811703 5.907347 6.038685 5.085410 5.218474 11.268679 10.694130 4.352383 2.514756 13.029868 12.787386 2.502091 0.000000 1.7311290 0.1625642 0.1498065 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= 205 205 205 206 206 MxSgAt= 36 MxSgA2= 36. 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 36 36 36 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 36 36 36 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 36 36 36 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 36 36 36 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= 10440 NPrTT= 53082 LenC2= 9133 LenP2D= 29909. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 216 RedAO= T EigKep= 6.24D-04 NBF= 216 NBsUse= 216 1.00D-06 EigRej= -1.00D+00 NBFU= 216 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= 206 206 206 206 206 MxSgAt= 36 MxSgA2= 36. 1 Closed 1 0 1 -695.438350278237 -695.561042870979 -0.122692592742 -695.747627546660 -0.186584675681 -695.745011629938 0.002615916723 -695.751210480637 -0.006198850699 -695.751509140612 -0.000298659976 -695.751523841449 -0.000014700837 -695.751466805904 0.000057035545 -695.751467150551 -0.000000344646 -695.751467186383 -0.000000035832 -695.751467245158 -0.000000058774 -695.751467246151 -0.000000000993 -695.751467246329 -0.000000000178 -695.751467246343 -0.000000000015 -695.751467246 14 6.932020078792e+02 -3.994558862679e+03 1.415836897870e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=279905428. IVT= 161614 IEndB= 161614 NGot= 2818572288 MDV= 2543775909 LenX= 2543775909 LenY= 2543728812 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= 23436 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. 5.62845022e-05 -1.95682851e-04 -1.14131720e-04 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 6 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 0.013397922 0.000014515 0.011911892 -0.013342172 0.000027533 -0.011891084 -0.002626195 0.004969008 -0.008553060 -0.002652796 -0.005034174 -0.008471818 0.002592457 0.004955117 0.008676029 0.002613636 -0.005072082 0.008503780 0.002056753 -0.007235664 0.001705677 0.002103509 0.007255588 0.001674113 -0.002082486 -0.007287734 -0.001700936 -0.001956720 0.007388372 -0.001682973 -0.005222886 -0.008048956 -0.000167954 -0.005215648 0.008069845 -0.000173174 0.005304200 -0.007950804 0.000156911 0.005106141 0.008028220 0.000174476 -0.013156124 -0.000961627 -0.000123492 -0.013169216 0.001022882 -0.000154879 0.013010031 -0.000898283 0.000131866 0.013144319 0.000897595 0.000145598 0.001461683 -0.000002471 -0.005238859 -0.001460154 -0.000013275 0.005178358 0.005169808 -0.003842999 0.006645304 0.002672101 -0.008017926 -0.000052411 0.002683055 0.008040546 -0.000095311 0.005166492 0.003852305 0.006641093 -0.005180454 -0.003856087 -0.006700292 -0.002657845 -0.007987642 0.000017655 -0.002690793 0.008051503 0.000094349 -0.005167767 0.003862072 -0.006655617 0.000071304 -0.007877034 -0.000214392 0.000073777 0.007824160 -0.000235185 -0.000071326 -0.007947138 0.000215714 -0.000082757 0.007824827 0.000234013 -0.006135214 -0.002677367 -0.000414597 -0.006078949 0.002648255 -0.000412195 0.006188674 -0.002700183 0.000415049 0.006133640 0.002679101 0.000416349 0.013397922 0.005673986 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 0 1 -695.765525168622 -695.765585786986 -0.000060618364 -695.765513622887 0.000072164099 -695.765513869349 -0.000000246462 -695.765514041369 -0.000000172020 -695.765514069903 -0.000000028533 -695.765514075360 -0.000000005457 -695.765514075883 -0.000000000523 -695.765514075944 -0.000000000061 -695.765514075956 -0.000000000012 -695.765514076 10 6.919756626185e+02 -3.949235529247e+03 1.393850887272e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=279905428. IVT= 161614 IEndB= 161614 NGot= 2818572288 MDV= 2543775909 LenX= 2543775909 LenY= 2543728812 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= 23436 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. 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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 1.17437 0.81406 0.72390 0.58422 0.87114 0.83242 0.89969 0.03863 0.01626 0.17093 1.17437 0.81406 0.72390 0.58421 0.87114 0.83242 0.89969 0.03863 0.01626 0.17093 1.17426 0.81411 0.71948 0.68834 0.85913 0.89971 0.91586 0.10083 0.17681 0.23925 1.17426 0.81411 0.71948 0.68834 0.85913 0.89971 0.91586 0.10083 0.17681 0.23925 1.17426 0.81411 0.71948 0.68834 0.85913 0.89971 0.91587 0.10083 0.17681 0.23925 1.17426 0.81411 0.71948 0.68834 0.85913 0.89971 0.91586 0.10083 0.17681 0.23925 1.17440 0.81383 0.75421 0.42041 0.90882 0.91221 0.76207 -0.08980 -0.15813 0.20381 1.17440 0.81383 0.75421 0.42041 0.90882 0.91221 0.76207 -0.08981 -0.15812 0.20381 1.17440 0.81383 0.75421 0.42041 0.90882 0.91221 0.76207 -0.08980 -0.15813 0.20381 1.17440 0.81383 0.75421 0.42041 0.90882 0.91221 0.76207 -0.08981 -0.15812 0.20381 1.17437 0.81406 0.74911 0.56030 0.91529 0.93706 0.76570 0.04934 0.21645 0.25693 1.17437 0.81406 0.74911 0.56030 0.91529 0.93706 0.76570 0.04934 0.21645 0.25693 1.17437 0.81406 0.74911 0.56030 0.91529 0.93706 0.76570 0.04934 0.21645 0.25693 1.17437 0.81406 0.74911 0.56030 0.91529 0.93706 0.76570 0.04934 0.21645 0.25693 1.17442 0.81417 0.75502 0.52109 0.92758 0.91533 0.75890 0.11235 0.00436 0.25081 1.17442 0.81417 0.75502 0.52109 0.92758 0.91533 0.75890 0.11235 0.00435 0.25081 1.17442 0.81417 0.75502 0.52109 0.92758 0.91533 0.75890 0.11235 0.00435 0.25081 1.17442 0.81417 0.75502 0.52109 0.92758 0.91533 0.75890 0.11235 0.00435 0.25081 0.51654 0.24797 0.51654 0.24797 0.50983 0.27138 0.51347 0.26126 0.51347 0.26126 0.50983 0.27138 0.50983 0.27138 0.51347 0.26126 0.51347 0.26126 0.50983 0.27138 0.51656 0.24350 0.51656 0.24350 0.51656 0.24351 0.51656 0.24350 0.51633 0.26037 0.51633 0.26037 0.51633 0.26037 0.51633 0.26037 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 C 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 -0.125613 -0.125611 -0.587773 -0.587777 -0.587773 -0.587777 0.298158 0.298156 0.298157 0.298156 -0.438606 -0.438606 -0.438606 -0.438605 -0.234013 -0.234012 -0.234012 -0.234013 0.235493 0.235492 0.218785 0.225274 0.225275 0.218785 0.218785 0.225274 0.225274 0.218785 0.239936 0.239936 0.239936 0.239936 0.223301 0.223301 0.223301 0.223301 0.00000 -8.31179896e-07 9.88819884e-07 9.43316446e-07 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0.0000 0.0000 0.0000 0.0000 -105.2842 -96.6167 -111.9101 0.0000 0.3042 -0.0002 -0.6805 7.9869 -7.3064 0.0000 0.3042 -0.0002 0.0017 0.0162 0.0020 0.0005 0.0062 0.0003 0.0006 0.0063 0.0005 -0.0007 -7746.3211 -853.8413 -173.6574 -0.0055 46.7028 -0.0064 0.0037 -1.8071 0.0054 -1411.4236 -1634.3421 -191.3241 -0.0031 5.0042 -0.0030 0 -695.7655141 3.638E-9 6.35E-5 -0.5059418,5.9380765,-5.4321347,-0.000002,0.2261586,-0.0001597 C01 [X(C18H18)] -0.0000008 0.000001 0.0000009 @ 0.000069355 0.000000152 -0.000002998 -0.000070230 0.000000105 0.000003130 0.000120999 -0.000171725 0.000007885 0.000120628 0.000173690 0.000008464 -0.000120428 -0.000171912 -0.000008806 -0.000119967 0.000174575 -0.000008481 -0.000137913 -0.000048777 0.000035735 -0.000137462 0.000047886 0.000035674 0.000138724 -0.000048273 -0.000035758 0.000135983 0.000046844 -0.000035723 0.000121632 0.000000059 -0.000022835 0.000121752 -0.000000277 -0.000023249 -0.000122463 -0.000000093 0.000023133 -0.000120970 -0.000000188 0.000023179 -0.000057076 0.000056476 -0.000007175 -0.000057365 -0.000056639 -0.000006347 0.000058015 0.000056399 0.000006851 0.000056696 -0.000056190 0.000006657 -0.000032506 -0.000000541 0.000000135 0.000032723 -0.000000456 0.000000042 -0.000018015 0.000096028 -0.000013697 -0.000037088 0.000071948 -0.000014373 -0.000036435 -0.000072460 -0.000014296 -0.000018096 -0.000096050 -0.000014067 0.000017967 0.000096079 0.000013973 0.000036910 0.000071837 0.000014591 0.000036543 -0.000072528 0.000014286 0.000018059 -0.000096309 0.000014093 -0.000014713 0.000010623 0.000009822 -0.000014577 -0.000010593 0.000010012 0.000014918 0.000010743 -0.000009843 0.000014704 -0.000010594 -0.000009928 0.000001008 0.000007641 -0.000003995 0.000001039 -0.000007495 -0.000004141 -0.000001306 0.000007526 0.000004012 -0.000001043 -0.000007508 0.000004040 216.1925999999999 AuxInfo=1/0/N:15,16,17,18,11,12,13,14,3,4,5,6,7,8,9,10,1,2/E:(1,2,3,4)(5,6,7,8)(9,10,11,12)(13,14,15,16)(17,18)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,13.3,14.3,15.3,16.3/rA:36CCCCCCC3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:s1;s1;s1;s2;s2;s3;s4s7;s5;s6s9;s7;s8;s9;s10;s11;s12s15;s13;s14s17;s1;s2;s3;s3;s4;s4;s5;s5;s6;s6;s11;s12;s13;s14;s15;s16;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2121 CBGUSER 000142337 EM64L-G09RevD.01 17-Jul-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 102 C1[X(C18H18)] RPBEPBE SDD Freq #p freq=noraman PBEPBE/SDD 216.1925999999999 0 1 AuxInfo=1/0/N:15,16,17,18,11,12,13,14,3,4,5,6,7,8,9,10,1,2/E:(1,2,3,4)(5,6,7,8)(9,10,11,12)(13,14,15,16)(17,18)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,13.3,14.3,15.3,16.3/rA:36CCCCCCC3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:s1;s1;s1;s2;s2;s3;s4s7;s5;s6s9;s7;s8;s9;s10;s11;s12s15;s13;s14s17;s1;s2;s3;s3;s4;s4;s5;s5;s6;s6;s11;s12;s13;s14;s15;s16;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-28698.inp" -scrdir="/scratch/" chk=000142337-Freq.chk nprocshared=8 mem=21GB #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 000142337 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 12 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 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 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 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| 0.000175 0.000063 0.006838 0.002697 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -9.936586e-07 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 1167.6434667494 216 504 216 63 63 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 36 36 36 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 0 216.1925999999999 AuxInfo=1/0/N:15,16,17,18,11,12,13,14,3,4,5,6,7,8,9,10,1,2/E:(1,2,3,4)(5,6,7,8)(9,10,11,12)(13,14,15,16)(17,18)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,13.3,14.3,15.3,16.3/rA:36CCCCCCC3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:s1;s1;s1;s2;s2;s3;s4s7;s5;s6s9;s7;s8;s9;s10;s11;s12s15;s13;s14s17;s1;s2;s3;s3;s4;s4;s5;s5;s6;s6;s11;s12;s13;s14;s15;s16;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 1.537449 0.000000 1.565030 2.608111 0.000000 1.565028 2.608109 2.467686 0.000000 2.608110 1.565029 3.170142 4.017381 0.000000 2.608106 1.565027 4.017380 3.170165 2.467686 0.000000 2.425143 3.794546 1.522523 2.413316 4.619903 4.984940 0.000000 2.425144 3.794547 2.413320 1.522523 4.984936 4.619920 1.420776 0.000000 3.794544 2.425141 4.619903 4.984941 1.522523 2.413316 6.014761 6.180294 0.000000 3.794546 2.425145 4.984938 4.619922 2.413322 1.522524 6.180296 6.014776 1.420777 0.000000 3.797376 5.142876 2.650828 3.749754 5.804847 6.382018 1.409094 2.456676 7.262919 7.536567 0.000000 3.797377 5.142877 3.749757 2.650829 6.382016 5.804868 2.456676 1.409094 7.536568 7.262938 2.850351 0.000000 5.142876 3.797376 5.804848 6.382020 2.650829 3.749754 7.262921 7.536566 1.409095 2.456676 8.440975 8.909251 0.000000 5.142876 3.797378 6.382017 5.804870 3.749758 2.650830 7.536569 7.262938 2.456677 1.409093 8.909251 8.440998 2.850352 0.000000 4.787944 6.204445 3.902115 4.326636 7.041834 7.285663 2.436934 2.819559 8.449003 8.567210 1.417521 2.458527 9.689196 9.895239 0.000000 4.787943 6.204445 4.326637 3.902115 7.285654 7.041850 2.819559 2.436934 8.567204 8.449016 2.458527 1.417521 9.895231 9.689213 1.415612 0.000000 6.204443 4.787942 7.041834 7.285664 3.902115 4.326636 8.449003 8.567208 2.436934 2.819558 9.689195 9.895237 1.417520 2.458527 10.884449 10.976124 0.000000 6.204444 4.787944 7.285655 7.041852 4.326638 3.902116 8.567206 8.449016 2.819560 2.436933 9.895231 9.689213 2.458527 1.417521 10.976125 10.884461 1.415611 0.000000 1.111352 2.162974 2.175761 2.175755 2.840339 2.840308 2.860279 2.860278 3.955824 3.955814 4.097322 4.097318 5.256528 5.256511 5.034711 5.034708 6.294524 6.294519 0.000000 2.162971 1.111352 2.840336 2.840306 2.175760 2.175755 3.955822 3.955812 2.860282 2.860284 5.256527 5.256512 4.097327 4.097326 6.294525 6.294519 5.034716 5.034716 3.076257 0.000000 2.207860 2.708813 1.111439 2.965501 3.210257 4.226682 2.174006 3.013033 4.588024 5.040056 3.112852 4.291962 5.683018 6.405310 4.360431 4.832144 6.922307 7.228741 3.072466 2.514393 0.000000 2.238171 3.095421 1.105228 3.417600 3.130299 4.500802 2.208180 3.301144 4.648605 5.256523 2.949457 4.558461 5.684789 6.663115 4.306300 4.954171 7.007340 7.423101 2.420039 3.504910 1.780754 0.000000 2.238175 3.095424 3.417604 1.105228 4.500826 3.130324 3.301142 2.208177 5.256545 4.648632 4.558459 2.949452 6.663140 5.684817 4.954169 4.306295 7.423128 7.007370 2.420038 3.504873 4.019112 4.238171 0.000000 2.207858 2.708810 2.965500 1.111440 4.226671 3.210303 3.013027 2.174005 5.040055 4.588054 4.291956 3.112855 6.405306 5.683056 4.832140 4.360432 7.228749 6.922334 3.072461 2.514351 3.063151 4.019108 1.780755 0.000000 2.708812 2.207859 3.210257 4.226684 1.111439 2.965502 4.588023 5.040053 2.174004 3.013033 5.683015 6.405307 3.112849 4.291961 6.922305 7.228737 4.360427 4.832141 2.514397 3.072464 3.560574 2.878571 4.611805 4.696898 0.000000 3.095423 2.238171 3.130302 4.500805 1.105227 3.417600 4.648608 5.256524 2.208180 3.301146 5.684791 6.663117 2.949458 4.558463 7.007343 7.423103 4.306299 4.954172 3.504915 2.420039 2.878574 2.975951 5.178647 4.611758 1.780754 0.000000 3.095423 2.238174 4.500824 3.130325 3.417602 1.105228 5.256545 4.648633 3.301139 2.208176 6.663140 5.684819 4.558458 2.949454 7.423130 7.007371 4.954167 4.306296 3.504875 2.420036 4.611801 5.178644 2.975952 2.878636 4.019112 4.238168 0.000000 2.708809 2.207859 4.226672 3.210301 2.965505 1.111440 5.040054 4.588050 3.013031 2.174006 6.405303 5.683049 4.291959 3.112852 7.228746 6.922328 4.832140 4.360431 2.514354 3.072461 4.696898 4.611760 2.878631 3.560643 3.063159 4.019113 1.780753 0.000000 4.333400 5.551761 2.944975 4.595495 5.947221 6.914859 2.183249 3.454304 7.455477 7.921484 1.096571 3.946915 8.516308 9.322198 2.184966 3.451620 9.835763 10.192249 4.598183 5.657478 3.269322 2.898853 5.456961 5.112472 5.771588 5.661196 7.309209 6.982862 0.000000 4.333402 5.551764 4.595500 2.944980 6.914864 5.947250 3.454305 2.183249 7.921494 7.455504 3.946915 1.096571 9.322207 8.516341 3.451619 2.184965 10.192267 9.835793 4.598177 5.657456 5.112482 5.456963 2.898848 3.269332 6.982878 7.309190 5.661227 5.771638 5.043473 0.000000 5.551759 4.333398 5.947220 6.914860 2.944974 4.595495 7.455476 7.921482 2.183249 3.454305 8.516306 9.322196 1.096572 3.946917 9.835762 10.192247 2.184968 3.451621 5.657479 4.598186 5.771589 5.661192 7.309209 6.982862 3.269318 2.898851 5.456959 5.112476 8.449856 9.840583 0.000000 5.551761 4.333402 6.914864 5.947250 4.595501 2.944980 7.921494 7.455503 3.454306 2.183248 9.322206 8.516340 3.946916 1.096571 10.192267 9.835791 3.451619 2.184967 5.657453 4.598185 6.982881 7.309187 5.661222 5.771645 5.112479 5.456964 2.898850 3.269325 9.840583 8.449901 5.043475 0.000000 5.819707 7.225067 4.818547 5.421510 7.972793 8.351049 3.431796 3.915628 9.415648 9.602579 2.181575 3.448350 10.615307 10.946090 1.096109 2.177946 11.848322 11.996870 6.027246 7.300188 5.218471 5.085411 6.038682 5.907345 7.811666 7.863332 8.510978 8.287744 2.514753 4.352381 10.694093 11.268693 0.000000 5.819707 7.225068 5.421511 4.818548 8.351042 7.972812 3.915627 3.431796 9.602576 9.415665 3.448349 2.181575 10.946084 10.615328 2.177945 1.096109 11.996871 11.848338 6.027242 7.300179 5.907348 6.038683 5.085407 5.218474 8.287739 8.510951 7.863362 7.811695 4.352381 2.514753 11.268675 10.694127 2.502093 0.000000 7.225066 5.819707 7.972795 8.351051 4.818548 5.421511 9.415650 9.602579 3.431797 3.915627 10.615308 10.946089 2.181576 3.448349 11.848323 11.996870 1.096110 2.177945 7.300189 6.027252 7.811670 7.863331 8.510977 8.287747 5.218470 5.085412 6.038680 5.907346 10.694096 11.268694 2.514757 4.352381 12.787365 13.029867 0.000000 7.225067 5.819709 8.351044 7.972816 5.421513 4.818550 9.602579 9.415666 3.915629 3.431796 10.946085 10.615330 3.448350 2.181576 11.996874 11.848339 2.177945 1.096110 7.300179 6.027251 8.287744 8.510950 7.863361 7.811703 5.907347 6.038685 5.085409 5.218473 11.268678 10.694130 4.352384 2.514756 13.029868 12.787386 2.502091 0.000000 C18H18 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 0 216.1925999999999 AuxInfo=1/0/N:15,16,17,18,11,12,13,14,3,4,5,6,7,8,9,10,1,2/E:(1,2,3,4)(5,6,7,8)(9,10,11,12)(13,14,15,16)(17,18)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,13.3,14.3,15.3,16.3/rA:36CCCCCCC3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:s1;s1;s1;s2;s2;s3;s4s7;s5;s6s9;s7;s8;s9;s10;s11;s12s15;s13;s14s17;s1;s2;s3;s3;s4;s4;s5;s5;s6;s6;s11;s12;s13;s14;s15;s16;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 1.7311289 0.1625642 0.1498065 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= 10440 NPrTT= 53082 LenC2= 9133 LenP2D= 29909. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 216 RedAO= T EigKep= 6.24D-04 NBF= 216 NBsUse= 216 1.00D-06 EigRej= -1.00D+00 NBFU= 216 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= 206 206 206 206 206 MxSgAt= 36 MxSgA2= 36. 1 Closed 1 0 1 -695.486923235497 -695.596037464761 -0.109114229264 -695.763823891081 -0.167786426320 -695.762959882865 0.000864008216 -695.765353036965 -0.002393154100 -695.765561779982 -0.000208743017 -695.765584400583 -0.000022620601 -695.765513763467 0.000070637116 -695.765514059544 -0.000000296077 -695.765514078019 -0.000000018475 -695.765514132718 -0.000000054699 -695.765514134424 -0.000000001706 -695.765514134572 -0.000000000148 -695.765514134562 0.000000000010 -695.765514135 14 6.919756647841e+02 -3.949235534584e+03 1.393850888916e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep J ints in memory in canonical form, NReq=279905788. IVT= 161974 IEndB= 161974 NGot= 2818572288 MDV= 2543775549 LenX= 2543775549 LenY= 2543728452 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= 23436 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= 36. Will process 37 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=111111111111111111111111111111111111 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= 2818571708 using IRadAn= 2. Generate precomputed XC quadrature information. Keep J ints in memory in canonical form, NReq=279754444. 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= 23436 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Solving linear equations simultaneously, MaxMat= 0. There are 111 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 108 vectors produced by pass 0 Test12= 9.64D-15 1.00D-09 XBig12= 3.96D+02 9.53D+00. AX will form 108 AO Fock derivatives at one time. 108 vectors produced by pass 1 Test12= 9.64D-15 1.00D-09 XBig12= 9.76D+01 1.73D+00. 108 vectors produced by pass 2 Test12= 9.64D-15 1.00D-09 XBig12= 3.95D-01 9.95D-02. 108 vectors produced by pass 3 Test12= 9.64D-15 1.00D-09 XBig12= 7.42D-05 1.10D-03. 66 vectors produced by pass 4 Test12= 9.64D-15 1.00D-09 XBig12= 1.93D-08 1.47D-05. 4 vectors produced by pass 5 Test12= 9.64D-15 1.00D-09 XBig12= 2.07D-12 1.81D-07. 2 vectors produced by pass 6 Test12= 9.64D-15 1.00D-09 XBig12= 1.18D-15 3.49D-09. InvSVY: IOpt=1 It= 1 EMax= 2.84D-14 Solved reduced A of dimension 504 with 111 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 182.94 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 267.827 0.000 185.702 -4.432 0.000 95.288 414.220 0.000 392.812 -11.992 0.000 163.568 (Enter /mnt/data/applications/G09/g09/l716.exe) PT1770S 2017-07-17T22:20:29.000+02:00 -9.90360 -9.90351 -9.90295 -9.90293 -9.90266 -9.90266 -9.89997 -9.89996 -9.89968 -9.89968 -9.89892 -9.89892 -9.89892 -9.89892 -9.89612 -9.89611 -9.89610 -9.89609 -0.79242 -0.78378 -0.74407 -0.72156 -0.67967 -0.67788 -0.66251 -0.62708 -0.62281 -0.61609 -0.55928 -0.53058 -0.52317 -0.51430 -0.50591 -0.50089 -0.44993 -0.44305 -0.43454 -0.41056 -0.40523 -0.39991 -0.39133 -0.37198 -0.37019 -0.36080 -0.35836 -0.35835 -0.35186 -0.34878 -0.33725 -0.32197 -0.31256 -0.30119 -0.29940 -0.29164 -0.29140 -0.28385 -0.27895 -0.27479 -0.26910 -0.21748 -0.21678 -0.20524 -0.20472 -0.03437 -0.03156 -0.02782 -0.02562 0.07425 0.08958 0.09521 0.09635 0.10011 0.10189 0.11121 0.11732 0.12245 0.13016 0.13051 0.13527 0.13554 0.13600 0.14539 0.15500 0.16428 0.16982 0.16997 0.17264 0.18072 0.18489 0.18888 0.20817 0.21224 0.21339 0.22605 0.23554 0.24174 0.24304 0.25153 0.26424 0.26891 0.27009 0.27911 0.28316 0.28432 0.29214 0.30244 0.30709 0.30939 0.31358 0.31461 0.32494 0.32699 0.33644 0.34285 0.35183 0.35948 0.37091 0.37303 0.37618 0.38386 0.39224 0.39982 0.40293 0.40523 0.40806 0.41459 0.42263 0.42595 0.43351 0.43526 0.43770 0.44384 0.45939 0.46097 0.46677 0.47299 0.47355 0.48520 0.50235 0.50578 0.51268 0.52107 0.54252 0.54751 0.55759 0.60312 0.60449 0.60575 0.60909 0.62644 0.64595 0.64712 0.65415 0.67063 0.68374 0.72216 0.73209 0.73442 0.74656 0.77660 0.79810 0.82703 0.84118 0.87480 0.91009 0.92715 0.92841 0.92920 0.93552 0.93858 0.93999 0.98165 0.98780 1.01234 1.02344 1.02474 1.05572 1.06425 1.08648 1.09782 1.12602 1.13947 1.15223 1.16958 1.18331 1.18914 1.21280 1.21552 1.21561 1.27461 1.29875 1.33095 1.42490 1.43858 1.45672 1.47319 1.53246 1.57069 22.30902 22.38612 22.52353 22.54269 22.55756 22.58563 22.58743 22.64343 22.65590 22.67913 22.68020 22.70098 22.70202 22.70348 22.71295 22.72780 22.80012 22.80089 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 C 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 -0.125614 -0.125612 -0.587773 -0.587777 -0.587773 -0.587777 0.298158 0.298157 0.298157 0.298156 -0.438607 -0.438607 -0.438606 -0.438606 -0.234013 -0.234013 -0.234012 -0.234013 0.235494 0.235493 0.218785 0.225274 0.225275 0.218784 0.218785 0.225274 0.225275 0.218785 0.239936 0.239936 0.239936 0.239937 0.223302 0.223302 0.223301 0.223301 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 C C C C C C C C C C C C C C C C C C 0.109880 0.109881 -0.143714 -0.143718 -0.143714 -0.143718 0.298158 0.298157 0.298157 0.298156 -0.198671 -0.198670 -0.198671 -0.198670 -0.010712 -0.010711 -0.010711 -0.010711 0.00000 1.59913499e-06 -1.03846029e-06 1.27942178e-06 2.67827207e+02 2.08574595e-05 1.85702337e+02 -4.43244345e+00 1.37668828e-05 9.52876779e+01 -0.0006 -0.0005 -0.0003 4.3496 6.0563 17.0452 35.1103 51.2695 70.5320 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 35.1103 51.2695 70.5320 87.6464 182.1288 202.8049 208.0500 230.4812 245.1535 259.7678 334.4072 384.2751 416.1322 417.4173 478.0538 500.1400 506.7416 516.7657 540.8342 578.4822 585.3897 588.8665 669.4094 709.7614 711.5749 749.7228 752.1187 765.0210 785.2196 843.1471 843.5948 848.4713 867.9327 868.1406 885.6846 906.7471 906.8369 934.5031 938.4519 984.8560 984.8590 988.0766 1020.4819 1021.6821 1035.4226 1039.7251 1064.4869 1094.6166 1116.7765 1125.3574 1131.4922 1133.6514 1147.2341 1168.7354 1168.7450 1175.9461 1176.2211 1207.6444 1216.7568 1222.7006 1232.7281 1233.1819 1259.7009 1268.2674 1295.7459 1296.2600 1301.4656 1306.1281 1310.5056 1356.2807 1388.6515 1389.2207 1445.9914 1446.1648 1456.0531 1459.0365 1461.3558 1463.3749 1476.5767 1478.7166 1594.9539 1596.1723 1618.3378 1618.7097 2946.1053 2949.1806 2950.1566 2950.8262 2955.6565 2972.6763 3035.4220 3037.1981 3041.0618 3041.9557 3116.1471 3116.1764 3122.7493 3122.7724 3137.0539 3137.0935 3157.1662 3157.3391 4.4784 4.0410 3.9048 3.9012 2.4856 2.3295 5.7702 3.9292 4.6149 2.7843 1.7717 3.5563 2.5835 2.7602 2.8015 2.9687 3.2689 5.4762 2.1000 6.0670 6.0877 5.2273 4.2266 3.1861 3.2182 1.2925 1.2971 2.9464 3.0990 4.6347 4.4182 3.3314 1.3047 1.3461 2.3134 1.5027 1.5386 1.4422 1.3784 1.3146 1.3146 1.8619 2.2052 2.2310 4.3846 1.8846 3.3614 2.0446 2.1202 1.9719 1.2002 1.1974 1.1654 1.0670 1.0675 2.5795 2.5788 1.4649 1.6878 1.2937 1.3223 1.7991 1.8196 1.8150 1.2206 1.4007 1.3647 1.6343 1.3732 1.8687 6.1755 6.2064 2.2432 2.3005 1.1153 1.1308 1.2748 1.3736 2.0958 1.9048 6.7195 6.6836 7.1653 7.1784 1.0776 1.0717 1.0665 1.0670 1.0707 1.0805 1.0948 1.0931 1.0948 1.0959 1.0852 1.0852 1.0895 1.0895 1.0943 1.0943 1.1003 1.1003 0.0033 0.0063 0.0114 0.0177 0.0486 0.0564 0.1472 0.1230 0.1634 0.1107 0.1167 0.3094 0.2636 0.2834 0.3772 0.4375 0.4946 0.8616 0.3619 1.1962 1.2291 1.0680 1.1159 0.9456 0.9601 0.4281 0.4323 1.0160 1.1258 1.9412 1.8525 1.4130 0.5791 0.5978 1.0692 0.7279 0.7455 0.7420 0.7153 0.7512 0.7512 1.0710 1.3530 1.3721 2.7696 1.2004 2.2442 1.4434 1.5580 1.4713 0.9054 0.9067 0.9037 0.8587 0.8592 2.1016 2.1020 1.2587 1.4722 1.1395 1.1839 1.6120 1.7012 1.7201 1.2074 1.3866 1.3619 1.6426 1.3896 2.0253 7.0163 7.0572 2.7634 2.8348 1.3932 1.4183 1.6040 1.7331 2.6922 2.4539 10.0712 10.0327 11.0566 11.0820 5.5105 5.4919 5.4687 5.4738 5.5111 5.6255 5.9432 5.9412 5.9655 5.9750 6.2088 6.2089 6.2595 6.2597 6.3452 6.3453 6.4618 6.4624 0.0186 0.0211 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