Gaussian 09 GINC-KIMIK2068 CBGUSER 000040264 EM64L-G09RevD.01 7-May-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 240.21399999999988 0 1 AuxInfo=1/0/N:18,13,20,19,16,15,17,14,12,11,9,7,10,5,8,6,3,2,4,1/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3/rA:36C3C3C3C3C3C3C3C3C3C3C3C3CC3C3C3C3CC3C3HHHHHHHHHHHHHHHH/rB:s1;s2;s3;s1;s1;s4s5;s6;s2;s4;s8s9;s3;s5;s6;s10;s12s15;s8;s10;s14;s17s19;s7;s9;s11;s12;s13;s13;s13;s14;s15;s16;s17;s18;s18;s18;s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-31933.inp" -scrdir="/scratch/" chk=000040264.chk nprocshared=4 mem=3GB #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 000040264 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 12 12 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 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 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 2 2 3 3 4 4 5 5 6 6 7 8 8 9 9 10 10 11 12 12 13 13 13 14 14 15 15 16 17 17 18 18 18 19 19 20 2 5 6 3 9 4 12 7 10 7 13 8 14 21 11 17 11 22 15 18 23 16 24 25 26 27 19 28 16 29 30 20 31 32 33 34 20 35 36 1.4257 1.4097 1.445 1.445 1.4098 1.4153 1.4202 1.3909 1.4062 1.3931 1.4976 1.4155 1.4204 1.0871 1.3911 1.4061 1.3931 1.0869 1.3905 1.4993 1.0886 1.3984 1.0868 1.0988 1.0948 1.0948 1.3983 1.0702 1.3852 1.0863 1.0861 1.3905 1.0886 1.0961 1.0952 1.0951 1.3852 1.0865 1.0855 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 2 2 5 1 1 3 2 2 4 3 3 7 1 1 7 1 1 8 4 4 5 6 6 11 2 2 11 4 4 15 8 8 9 3 3 16 5 5 5 25 25 26 6 6 19 10 10 16 12 12 15 8 8 20 10 10 10 32 32 33 14 14 20 17 17 19 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 18 18 18 19 19 19 20 20 20 5 6 6 3 9 9 4 12 12 7 10 10 7 13 13 8 14 14 5 21 21 11 17 17 11 22 22 15 18 18 9 23 23 16 24 24 25 26 27 26 27 27 19 28 28 16 29 29 15 30 30 20 31 31 32 33 34 33 34 34 20 35 35 19 36 36 117.0802 120.6644 122.2555 120.6644 117.0786 122.257 119.2736 124.6093 116.1171 119.6098 121.0315 119.3586 122.5378 127.1422 110.32 119.2845 124.6132 116.1023 120.8342 119.914 119.2517 119.5944 121.0387 119.3668 122.5394 121.405 116.0556 121.0119 122.4425 116.5455 120.8387 120.7915 118.3698 122.4701 121.2118 116.3181 112.8848 111.1466 111.1428 103.2259 103.232 114.7528 122.4736 127.1994 110.327 119.4224 121.4943 119.0833 119.9469 119.8969 120.1562 121.0156 120.5505 118.4339 112.0022 110.6917 110.6979 106.6963 106.6895 109.9096 119.951 120.0891 119.9599 119.4187 120.2405 120.3408 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 5 5 6 6 2 2 6 6 2 2 5 5 1 1 9 9 1 1 3 3 2 2 12 12 2 2 4 4 3 3 10 10 3 3 7 7 1 1 13 13 1 1 1 7 7 7 1 1 14 14 1 1 8 8 6 6 17 17 6 6 11 11 2 2 22 22 4 4 18 18 4 4 4 15 15 15 3 3 24 24 6 6 28 28 10 10 29 29 8 8 31 31 14 14 35 35 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 8 8 8 8 8 8 8 8 9 9 9 9 10 10 10 10 10 10 10 10 10 10 12 12 12 12 14 14 14 14 15 15 15 15 17 17 17 17 19 19 19 19 2 2 2 2 5 5 5 5 6 6 6 6 3 3 3 3 9 9 9 9 4 4 4 4 12 12 12 12 7 7 7 7 10 10 10 10 7 7 7 7 13 13 13 13 13 13 8 8 8 8 14 14 14 14 11 11 11 11 17 17 17 17 11 11 11 11 15 15 15 15 18 18 18 18 18 18 16 16 16 16 19 19 19 19 16 16 16 16 20 20 20 20 20 20 20 20 3 9 3 9 7 13 7 13 8 14 8 14 4 12 4 12 11 22 11 22 7 10 7 10 16 24 16 24 5 21 5 21 15 18 15 18 4 21 4 21 25 26 27 25 26 27 11 17 11 17 19 28 19 28 9 23 9 23 20 31 20 31 8 23 8 23 16 29 16 29 32 33 34 32 33 34 15 30 15 30 20 35 20 35 12 30 12 30 19 36 19 36 17 36 17 36 -0.0001 -179.9909 179.9954 0.0046 0.0148 179.9705 -179.9806 -0.025 -0.0186 179.9749 179.9767 -0.0298 -0.014 179.9806 179.9763 -0.0291 0.0149 179.9995 -179.9757 0.009 0.0139 179.9949 -179.9812 -0.0001 179.9958 0.0034 -0.0095 179.9981 0.0003 179.9968 -179.9811 0.0154 0.0095 179.9369 179.9906 -0.0821 -0.0153 179.9882 -179.9776 0.0258 -179.9319 -64.4936 64.6247 0.0283 115.4666 -115.4152 0.0134 -179.9913 -179.9806 0.0147 179.9867 -0.0408 -0.0196 179.9529 0.0056 179.9963 -179.9898 0.0009 -0.0056 179.9976 179.9897 -0.007 -0.0205 179.9885 179.9941 0.0031 -0.0095 179.9766 -179.9409 0.0452 -179.9754 -61.0381 61.0918 -0.045 118.8923 -118.9778 0.0098 -179.9915 -179.9974 0.0013 0.0151 179.9991 -179.9615 0.0225 0.0 -179.9988 -179.9865 0.0148 0.0002 -179.9977 179.9971 -0.0008 -0.0048 179.9931 -179.9888 0.009 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 211 216 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= 11628 NPrTT= 59808 LenC2= 10448 LenP2D= 34383. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 232 RedAO= T EigKep= 9.90D-05 NBF= 232 NBsUse= 232 1.00D-06 EigRej= -1.00D+00 NBFU= 232 Using GEDIIS/GDIIS optimizer. local minimum Step number 6 out of a maximum of 211 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00776 0.00802 0.01538 0.01565 0.01606 0.01729 0.01758 0.01775 0.01819 0.01878 0.01930 0.01942 0.01962 0.01984 0.01991 0.02061 0.02072 0.02075 0.02106 0.02121 0.02130 0.02190 0.02192 0.02193 0.02195 0.02204 0.02207 0.02252 0.02252 0.06603 0.07067 0.07220 0.07387 0.13239 0.15555 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16022 0.16060 0.16136 0.16244 0.22019 0.22081 0.22390 0.22696 0.23305 0.23578 0.24312 0.24735 0.24748 0.24906 0.24968 0.25011 0.26333 0.32230 0.32485 0.32704 0.33856 0.34150 0.34224 0.34252 0.34260 0.34363 0.34969 0.34977 0.35122 0.35169 0.35222 0.35238 0.35275 0.35281 0.35374 0.36568 0.37434 0.37863 0.39190 0.39487 0.40126 0.40819 0.41575 0.42727 0.43368 0.43650 0.44871 0.45174 0.45390 0.45783 0.46074 0.46199 0.46606 0.47075 0.47404 0.51615 0.84255 RFO step: Lambda=-6.14066192D-07. 1 2 0.00080002 0.00000052 0.00000046 0.00000004 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 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 2.73698 2.77129 2.79559 2.76585 2.72437 2.71893 2.70873 2.70504 2.72934 2.63611 2.88025 2.74429 2.71630 2.06878 2.71066 2.70234 2.60427 2.06290 2.64781 2.87010 2.07148 2.64067 2.06440 2.08457 2.08909 2.08915 2.64920 2.04875 2.69183 2.07170 2.07049 2.63779 2.07224 2.08423 2.09154 2.09155 2.68601 2.07094 2.06952 2.04450 2.06323 2.17545 2.13006 2.08809 2.06504 2.07735 2.14799 2.05784 2.05521 2.11214 2.11583 2.08600 2.19712 2.00006 2.08433 2.18690 2.01196 2.17325 2.05716 2.05278 2.09229 2.11619 2.07471 2.13289 2.08455 2.06575 2.07200 2.11499 2.09620 2.10554 2.07338 2.10426 2.11051 2.11101 2.06166 1.90861 1.96439 1.96441 1.86655 1.86657 1.88826 2.14098 2.10917 2.03303 2.10916 2.08688 2.08715 2.10472 2.09095 2.08751 2.11776 2.06272 2.10271 1.93039 1.95172 1.95188 1.87848 1.87845 1.86933 2.11176 2.07898 2.09245 2.06773 2.11040 2.10506 0.00052 -3.14107 -3.14101 0.00058 -0.00049 3.14102 3.14104 -0.00064 -0.00074 3.14061 3.14092 -0.00092 -0.00022 3.14128 3.14137 -0.00031 -0.00006 3.14149 3.14153 -0.00010 -0.00011 -3.14156 3.14157 0.00012 -3.14141 -0.00004 0.00009 3.14147 0.00013 -3.14132 3.14158 0.00013 -0.00024 3.14156 3.14150 0.00012 0.00018 -3.14156 -3.14134 0.00011 -3.14126 -1.06939 1.07001 0.00025 2.07213 -2.07167 0.00039 -3.14138 -3.14098 0.00043 3.14144 -0.00039 -0.00039 3.14097 0.00014 3.14151 -3.14128 0.00009 -0.00016 3.14153 3.14125 -0.00024 -0.00031 3.14151 3.14132 -0.00004 0.00015 -3.14137 3.14154 0.00002 3.14137 -1.04848 1.04797 -0.00001 2.09333 -2.09341 -0.00018 3.14140 -3.14156 0.00003 0.00007 -3.14156 -3.14130 0.00026 0.00006 -3.14153 3.14158 -0.00001 -0.00018 -3.14157 3.14131 -0.00007 0.00023 -3.14157 -3.14133 0.00005 -0.00016 0.00004 -0.00015 0.00009 0.00012 -0.00008 0.00003 0.00006 -0.00001 0.00008 0.00000 -0.00018 0.00013 -0.00003 0.00003 0.00009 -0.00008 -0.00003 0.00000 -0.00005 -0.00001 -0.00003 -0.00001 -0.00004 0.00004 0.00001 -0.00013 -0.00001 -0.00003 0.00000 0.00000 -0.00009 0.00000 -0.00004 0.00002 0.00001 0.00012 -0.00001 0.00000 0.00002 0.00005 -0.00007 0.00006 -0.00001 -0.00004 -0.00003 0.00003 0.00000 0.00000 0.00002 -0.00002 -0.00006 -0.00002 0.00008 0.00001 -0.00001 0.00000 0.00001 -0.00003 0.00002 0.00004 0.00003 -0.00007 -0.00004 -0.00002 0.00006 -0.00002 0.00004 -0.00001 -0.00004 -0.00004 0.00008 -0.00002 0.00002 0.00000 0.00005 0.00004 0.00005 -0.00003 -0.00005 -0.00006 -0.00001 -0.00005 0.00006 0.00001 0.00002 -0.00003 0.00000 0.00004 -0.00005 -0.00002 -0.00001 0.00003 0.00000 0.00002 0.00000 0.00000 0.00001 -0.00002 0.00000 0.00006 -0.00005 0.00000 0.00004 -0.00005 0.00000 0.00000 -0.00001 -0.00001 0.00001 0.00000 0.00002 0.00001 0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00001 0.00002 0.00001 0.00001 0.00002 0.00001 0.00000 0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00001 0.00000 0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00035 0.00002 -0.00024 0.00007 0.00007 -0.00014 0.00004 -0.00008 -0.00004 -0.00024 -0.00032 -0.00026 0.00011 0.00004 -0.00002 -0.00003 -0.00004 -0.00005 -0.00010 -0.00013 -0.00002 -0.00005 -0.00004 -0.00004 -0.00002 -0.00002 -0.00017 -0.00005 -0.00010 -0.00001 -0.00002 -0.00009 -0.00001 -0.00001 -0.00004 -0.00003 -0.00001 -0.00003 -0.00003 -0.00003 0.00012 -0.00009 0.00003 -0.00005 0.00002 -0.00005 0.00011 -0.00007 0.00002 0.00008 -0.00010 0.00005 0.00005 -0.00010 0.00000 0.00000 0.00001 -0.00003 -0.00004 0.00007 0.00002 0.00000 -0.00002 -0.00004 -0.00019 0.00023 -0.00004 -0.00003 0.00006 -0.00006 -0.00023 0.00029 0.00000 -0.00001 0.00001 0.00004 -0.00003 -0.00003 0.00015 0.00016 -0.00027 0.00002 -0.00029 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-0.00007 0.00008 -0.00029 -0.00014 0.00017 -0.00003 0.00039 0.00019 0.00009 -0.00003 -0.00005 -0.00017 -0.00029 0.00000 -0.00013 0.00015 0.00017 -0.00012 0.00029 0.00000 0.00036 -0.00009 0.00023 -0.00022 -0.00046 -0.00016 -0.00022 0.00008 0.00180 0.00192 0.00192 0.00154 0.00166 0.00166 -0.00023 -0.00007 -0.00058 -0.00042 0.00005 0.00020 0.00043 0.00058 -0.00013 0.00018 -0.00029 0.00002 0.00013 0.00003 0.00029 0.00019 0.00017 -0.00015 0.00036 0.00005 -0.00024 -0.00035 0.00021 0.00010 0.00026 0.00033 0.00026 -0.00020 -0.00012 -0.00020 0.00025 0.00024 -0.00003 -0.00004 -0.00014 -0.00011 -0.00028 -0.00026 -0.00006 -0.00005 0.00005 0.00006 0.00018 -0.00008 0.00028 0.00002 -0.00018 0.00007 -0.00021 0.00005 -0.00059 0.00026 -0.00048 0.00027 0.00037 -0.00031 0.00011 0.00012 -0.00001 0.00006 -0.00015 -0.00057 0.00044 -0.00006 0.00010 0.00021 -0.00025 -0.00010 -0.00007 -0.00026 -0.00002 -0.00011 -0.00003 -0.00017 0.00013 0.00004 -0.00042 -0.00010 -0.00010 0.00001 -0.00001 -0.00029 0.00001 -0.00013 0.00006 0.00004 0.00029 -0.00003 -0.00001 -0.00001 0.00014 -0.00013 0.00028 0.00003 -0.00032 -0.00018 0.00017 0.00001 0.00000 0.00013 -0.00012 -0.00023 0.00005 0.00018 -0.00004 0.00009 -0.00005 0.00015 -0.00026 0.00012 0.00021 0.00015 -0.00036 -0.00017 -0.00034 0.00051 -0.00015 0.00015 0.00000 -0.00018 -0.00047 0.00065 -0.00010 0.00008 0.00001 0.00036 0.00028 0.00034 -0.00007 -0.00029 -0.00066 -0.00002 -0.00055 0.00056 0.00008 0.00015 -0.00022 0.00004 0.00039 -0.00043 -0.00010 -0.00016 0.00025 0.00007 0.00008 -0.00007 0.00011 0.00014 -0.00034 -0.00002 0.00047 -0.00045 0.00003 0.00036 -0.00040 -0.00014 0.00007 -0.00067 -0.00046 0.00037 0.00017 0.00093 0.00073 0.00049 0.00086 -0.00008 0.00029 -0.00007 0.00008 -0.00028 -0.00013 0.00014 -0.00004 0.00034 0.00016 0.00007 -0.00001 -0.00008 -0.00016 -0.00025 0.00000 -0.00010 0.00014 0.00018 -0.00009 0.00026 -0.00001 0.00029 0.00001 0.00021 -0.00007 -0.00040 -0.00013 -0.00022 0.00004 0.00165 0.00197 0.00156 0.00146 0.00178 0.00137 -0.00020 -0.00006 -0.00054 -0.00039 0.00005 0.00021 0.00041 0.00057 -0.00013 0.00017 -0.00027 0.00003 0.00012 0.00003 0.00026 0.00017 0.00016 -0.00014 0.00034 0.00004 -0.00018 -0.00027 0.00010 0.00001 0.00018 0.00043 0.00000 -0.00011 0.00014 -0.00029 0.00021 0.00020 -0.00002 -0.00004 -0.00014 -0.00010 -0.00030 -0.00026 -0.00007 -0.00005 0.00002 0.00004 0.00016 -0.00007 0.00025 0.00002 -0.00015 0.00008 -0.00019 0.00004 2.73639 2.77155 2.79512 2.76612 2.72474 2.71862 2.70884 2.70515 2.72933 2.63617 2.88010 2.74372 2.71674 2.06872 2.71076 2.70255 2.60403 2.06281 2.64774 2.86984 2.07146 2.64056 2.06437 2.08441 2.08922 2.08918 2.64877 2.04866 2.69174 2.07170 2.07048 2.63750 2.07225 2.08410 2.09160 2.09158 2.68630 2.07091 2.06951 2.04449 2.06337 2.17532 2.13034 2.08813 2.06472 2.07717 2.14817 2.05785 2.05520 2.11227 2.11571 2.08577 2.19717 2.00025 2.08428 2.18699 2.01191 2.17340 2.05689 2.05290 2.09250 2.11633 2.07435 2.13272 2.08421 2.06625 2.07185 2.11514 2.09620 2.10537 2.07291 2.10491 2.11042 2.11110 2.06167 1.90897 1.96467 1.96475 1.86648 1.86628 1.88760 2.14097 2.10863 2.03359 2.10923 2.08703 2.08693 2.10476 2.09135 2.08708 2.11766 2.06256 2.10296 1.93046 1.95180 1.95180 1.87859 1.87859 1.86899 2.11174 2.07945 2.09200 2.06776 2.11076 2.10466 0.00038 -3.14101 3.14150 0.00012 -0.00012 3.14119 -3.14122 0.00009 -0.00025 3.14147 3.14084 -0.00063 -0.00030 3.14136 3.14109 -0.00044 0.00008 3.14145 -3.14131 0.00006 -0.00004 -3.14157 3.14149 -0.00004 3.14153 -0.00004 0.00000 -3.14158 0.00031 -3.14141 -3.14135 0.00012 0.00006 3.14157 -3.14147 0.00004 -0.00022 3.14149 -3.14156 0.00015 -3.13961 -1.06742 1.07157 0.00171 2.07390 -2.07030 0.00019 -3.14144 -3.14152 0.00004 3.14149 -0.00017 0.00002 3.14154 0.00001 -3.14151 -3.14155 0.00012 -0.00004 3.14156 3.14152 -0.00007 -0.00015 3.14137 -3.14152 0.00000 -0.00003 3.14154 -3.14155 0.00003 3.14155 -1.04805 1.04797 -0.00012 2.09346 -2.09370 0.00003 -3.14158 -3.14158 -0.00001 -0.00008 3.14152 3.14158 0.00000 -0.00001 -3.14158 -3.14158 0.00003 -0.00001 3.14154 3.14157 -0.00006 0.00007 -3.14148 -3.14153 0.00010 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000179 0.000039 0.004410 0.000800 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -7.422398e-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 2 2 3 3 4 4 5 5 6 6 7 8 8 9 9 10 10 11 12 12 13 13 13 14 14 15 15 16 17 17 18 18 18 19 19 20 2 5 6 3 9 4 12 7 10 7 13 8 14 21 11 17 11 22 15 18 23 16 24 25 26 27 19 28 16 29 30 20 31 32 33 34 20 35 36 1.4483 1.4665 1.4794 1.4636 1.4417 1.4388 1.4334 1.4314 1.4443 1.395 1.5242 1.4522 1.4374 1.0948 1.4344 1.43 1.3781 1.0916 1.4012 1.5188 1.0962 1.3974 1.0924 1.1031 1.1055 1.1055 1.4019 1.0842 1.4245 1.0963 1.0957 1.3959 1.0966 1.1029 1.1068 1.1068 1.4214 1.0959 1.0951 -DE/DX = -0.0002|-DE/DX = 0.0|-DE/DX = -0.0002|-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 = -0.0002|-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 = 0.0|-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 = -0.0001|-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 = 0.0001|-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 2 2 5 1 1 3 2 2 4 3 3 7 1 1 7 1 1 8 4 4 5 6 6 11 2 2 11 4 4 15 8 8 9 3 3 16 5 5 5 25 25 26 6 6 19 10 10 16 12 12 15 8 8 20 10 10 10 32 32 33 14 14 20 17 17 19 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 18 18 18 19 19 19 20 20 20 5 6 6 3 9 9 4 12 12 7 10 10 7 13 13 8 14 14 5 21 21 11 17 17 11 22 22 15 18 18 9 23 23 16 24 24 25 26 27 26 27 27 19 28 28 16 29 29 15 30 30 20 31 31 32 33 34 33 34 34 20 35 35 19 36 36 117.1415 118.2141 124.6444 122.0432 119.6389 118.3179 119.0237 123.071 117.9053 117.7547 121.0169 121.2284 119.519 125.8859 114.5951 119.423 125.3003 115.2767 124.5179 117.8663 117.6157 119.8795 121.2485 118.872 122.2057 119.4358 118.3585 118.7167 121.1802 120.1032 120.6388 118.796 120.5653 120.9236 120.952 118.1244 109.3555 112.5514 112.5525 106.9454 106.9468 108.1895 122.6694 120.8467 116.4839 120.8458 119.5694 119.5848 120.5918 119.8029 119.6054 121.3386 118.185 120.4764 110.603 111.8253 111.8343 107.629 107.6272 107.1049 120.9947 119.1167 119.8886 118.4722 120.9168 120.611 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = -0.0001|-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 5 5 6 6 2 2 6 6 2 2 5 5 1 1 9 9 1 1 3 3 2 2 12 12 2 2 4 4 3 3 10 10 3 3 7 7 1 1 13 13 1 1 1 7 7 7 1 1 14 14 1 1 8 8 6 6 17 17 6 6 11 11 2 2 22 22 4 4 18 18 4 4 4 15 15 15 3 3 24 24 6 6 28 28 10 10 29 29 8 8 31 31 14 14 35 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 8 8 8 8 8 8 8 8 9 9 9 9 10 10 10 10 10 10 10 10 10 10 12 12 12 12 14 14 14 14 15 15 15 15 17 17 17 17 19 19 19 2 2 2 2 5 5 5 5 6 6 6 6 3 3 3 3 9 9 9 9 4 4 4 4 12 12 12 12 7 7 7 7 10 10 10 10 7 7 7 7 13 13 13 13 13 13 8 8 8 8 14 14 14 14 11 11 11 11 17 17 17 17 11 11 11 11 15 15 15 15 18 18 18 18 18 18 16 16 16 16 19 19 19 19 16 16 16 16 20 20 20 20 20 20 20 3 9 3 9 7 13 7 13 8 14 8 14 4 12 4 12 11 22 11 22 7 10 7 10 16 24 16 24 5 21 5 21 15 18 15 18 4 21 4 21 25 26 27 25 26 27 11 17 11 17 19 28 19 28 9 23 9 23 20 31 20 31 8 23 8 23 16 29 16 29 32 33 34 32 33 34 15 30 15 30 20 35 20 35 12 30 12 30 19 36 19 36 17 36 17 0.0297 -179.9702 180.0333 0.0334 -0.028 179.9671 -180.0318 -0.0367 -0.0423 179.9436 179.9615 -0.0526 -0.0129 179.9822 179.987 -0.0179 -0.0036 179.9939 -180.0035 -0.006 -0.0062 -179.998 179.9986 0.0067 180.0104 -0.0022 0.0054 -180.0072 0.0075 -179.9842 -180.0006 0.0077 -0.0137 179.9982 -180.0053 0.0066 0.0101 180.0018 -179.9855 0.0062 -179.981 -61.2713 61.3068 0.0143 118.724 -118.6979 0.0223 -179.988 -179.965 0.0247 179.9915 -0.0221 -0.0221 179.9644 0.008 -180.0048 -179.982 0.0052 -0.0094 179.9963 179.9804 -0.0139 -0.0178 179.9952 -180.0154 -0.0024 0.0087 180.0126 -180.0031 0.0009 179.9874 -60.0732 60.0443 -0.0006 119.9388 -119.9437 -0.0105 -180.0108 -179.9983 0.0015 0.0037 180.0021 180.0167 0.0151 0.0033 -179.9965 -180.0007 -0.0004 -0.0102 180.0015 179.984 -0.0043 0.0131 -179.9985 -179.9852 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0 240.21399999999988 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5.609307 7.094922 3.273039 1.964314 1.961188 0.000000 6.282624 5.418210 3.955121 3.446488 5.924957 7.726678 4.663208 8.294252 6.258016 2.163599 7.622253 3.437301 7.112797 8.826349 1.096295 2.184702 9.721945 2.727835 10.152478 10.572669 4.809787 5.985233 8.341084 4.318428 6.901927 7.794144 7.794025 8.776897 0.000000 5.986260 4.705898 3.453809 3.921457 6.230237 7.218239 5.352530 7.343281 4.972197 3.442560 6.321502 2.162191 7.683277 8.547125 2.184400 1.095657 8.696200 4.714416 9.705560 9.787564 5.960454 4.324929 6.778110 2.456938 7.830116 8.280808 8.280943 8.806810 2.506991 0.000000 4.705466 4.900324 6.321203 7.349295 6.056081 3.488934 7.175259 2.174573 4.031735 8.729886 2.656402 6.962160 6.635883 3.905172 9.149515 8.359349 1.096583 9.891980 3.425053 2.168773 8.148399 4.692727 2.387119 6.537697 7.726707 6.498523 6.499175 4.987672 10.236505 8.967993 0.000000 6.327855 5.971024 4.677796 3.491598 5.453554 7.796983 4.058937 8.720723 7.171883 2.168428 8.418065 4.863616 6.220009 8.590909 2.615849 4.038869 10.123682 1.102926 9.988299 10.703270 3.653750 7.238920 9.324711 5.925502 5.674258 6.924944 6.924589 8.254878 2.344262 4.707491 10.840849 0.000000 5.343026 5.302289 4.272934 2.913349 4.278672 6.745740 2.969849 7.817355 6.635618 2.186690 7.741201 4.897177 4.845035 7.373358 3.271249 4.504954 9.163037 1.106793 8.766278 9.594904 2.372152 6.927034 8.729920 5.973216 4.242099 5.402765 5.689891 6.937159 3.500344 5.397479 9.971914 1.783487 0.000000 5.342780 5.302256 4.272973 2.913300 4.278461 6.745306 2.969670 7.817142 6.635715 2.186807 7.741236 4.897303 4.844899 7.372511 3.271380 4.505075 9.162742 1.106799 8.765442 9.594351 2.372029 6.927276 8.730041 5.973326 4.242158 5.690064 5.402220 6.935942 3.500445 5.397585 9.971758 1.783472 1.780616 0.000000 4.747957 5.976674 7.282333 7.542463 5.188220 3.470940 6.580338 3.913165 6.186192 8.944424 5.347143 8.522702 4.651923 2.159032 9.927904 9.741479 3.416480 9.534128 1.095895 2.184883 7.102301 7.248615 5.934764 8.656147 5.623100 4.193271 4.191867 2.418656 10.975948 10.677172 4.337364 10.630656 9.327886 9.326832 0.000000 5.483069 6.260538 7.717200 8.405583 6.465129 4.004856 7.806488 3.460047 5.871896 9.849159 4.637660 8.675401 6.457942 3.448612 10.560066 10.033569 2.172231 10.749229 2.192010 1.095142 8.578721 6.761540 4.754565 8.487644 7.537415 6.103597 6.103533 4.305925 11.653624 10.803190 2.514709 11.797108 10.674318 10.673744 2.525140 0.000000 0.7925335 0.2210932 0.1732491 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= 225 225 225 225 225 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 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= 11628 NPrTT= 59808 LenC2= 10399 LenP2D= 34098. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 232 RedAO= T EigKep= 1.07D-04 NBF= 232 NBsUse= 232 1.00D-06 EigRej= -1.00D+00 NBFU= 232 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= 224 224 224 224 224 MxSgAt= 36 MxSgA2= 36. 1 Closed 1 0 1 -770.375715738043 -770.489249714835 -0.113533976792 -770.668229983303 -0.178980268468 -770.661933340817 0.006296642486 -770.681075447938 -0.019142107120 -770.681715425582 -0.000639977644 -770.681739242577 -0.000023816995 -770.681745986620 -0.000006744043 -770.681932835276 -0.000186848656 -770.681932945480 -0.000000110205 -770.681933167467 -0.000000221987 -770.681933309942 -0.000000142475 -770.681933324979 -0.000000015038 -770.681933326148 -0.000000001168 -770.681933326205 -0.000000000058 -770.681933326210 -0.000000000005 -770.681933326 16 7.679543168667e+02 -4.585552742673e+03 1.648655916110e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=371777336. IVT= 182878 IEndB= 182878 NGot= 402653184 MDV= 37200401 LenX= 37200401 LenY= 37146136 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= 27028 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. 2.10411549e-02 3.05043286e-01 -4.04573894e-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 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.002395955 -0.002944892 0.000018770 0.000919865 0.004130875 0.000000756 0.003104166 -0.013770834 0.000022805 0.010668816 -0.003581431 0.000056168 0.028288038 0.040420874 -0.000063962 0.002017761 0.016795723 0.000021412 -0.020644084 0.003501770 0.000005393 -0.015402763 0.001582052 -0.000018767 -0.015666089 -0.023570564 -0.000022275 0.033160121 0.002365792 -0.000102379 0.034555927 -0.024913938 0.000013940 -0.000822531 -0.014317059 -0.000016415 -0.001751568 0.014920591 0.000017571 -0.020080293 0.008292388 0.000015408 0.007127515 0.010167782 0.000001870 -0.015493454 -0.022009363 0.000024934 -0.018672186 -0.000272341 -0.000000237 0.001223407 0.005137171 0.000022502 0.010192952 0.011699358 0.000026207 -0.015144359 -0.021429390 -0.000030979 0.000745545 0.002146239 -0.000003018 0.006396958 -0.002522279 0.000001282 -0.004324643 -0.003252672 -0.000003186 -0.005490143 -0.004264329 0.000000266 0.008999976 -0.002834538 0.000006278 -0.012176770 0.002382710 0.000112835 -0.012162278 0.002393718 -0.000119131 0.013656941 0.004629671 -0.000005082 0.005790104 0.003874513 0.000003123 0.002493764 -0.006115334 0.000001962 0.001305424 -0.006316912 -0.000000205 0.003753934 -0.002991217 -0.000002309 -0.002530450 0.008142801 -0.003359518 -0.002537607 0.008180059 0.003374002 -0.002002152 0.005929668 0.000003520 -0.007103887 -0.001586661 -0.000003542 0.040420874 0.010416317 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -770.706726724157 -770.706737078087 -0.000010353930 -770.706734629185 0.000002448902 -770.706737884115 -0.000003254930 -770.706737977380 -0.000000093265 -770.706737982482 -0.000000005102 -770.706737983517 -0.000000001035 -770.706737983690 -0.000000000173 -770.706737983678 0.000000000012 -770.706737983712 -0.000000000033 -770.706737984 10 7.665989681381e+02 -4.539144367782e+03 1.626218524920e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=371777336. IVT= 182878 IEndB= 182878 NGot= 402653184 MDV= 37200401 LenX= 37200401 LenY= 37146136 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= 27028 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. (Enter /mnt/data/applications/G09/g09/l716.exe) alpha 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 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 -9.923462 -9.921896 -9.919455 -9.918769 -9.914910 -9.914542 -9.914493 -9.910180 -9.905270 -9.904550 -9.904197 -9.903132 -9.903121 -9.902030 -9.901164 -9.901036 -9.900481 -9.897772 -9.894200 -9.893031 -0.803637 -0.783732 -0.752490 -0.737917 -0.707745 -0.695905 -0.684151 -0.662695 -0.649901 -0.629552 -0.607692 -0.570443 -0.565372 -0.546636 -0.533975 -0.518341 -0.482627 -0.462642 -0.454528 -0.443645 -0.435323 -0.416882 -0.408376 -0.392573 -0.382405 -0.379769 -0.375238 -0.373035 -0.369027 -0.357920 -0.350917 -0.349538 -0.349516 -0.340865 -0.335428 -0.327979 -0.324349 -0.308706 -0.294771 -0.291023 -0.282545 -0.276527 -0.272826 -0.248325 -0.241402 -0.210068 -0.201222 -0.181199 -0.076279 -0.060455 -0.047548 -0.014445 -0.008793 0.035474 0.057010 0.084677 0.088950 0.094249 0.105749 0.111658 0.112855 0.113159 0.127348 0.129243 0.138115 0.143765 0.149001 0.152282 0.152875 0.158417 0.169154 0.172911 0.184221 0.188106 0.190090 0.201034 0.207902 0.214484 0.217404 0.222980 0.238583 0.239369 0.247367 0.248551 0.254800 0.259027 0.266923 0.269524 0.281015 0.284815 0.288278 0.297491 0.306856 0.308913 0.315119 0.322017 0.323033 0.328070 0.335341 0.336624 0.343062 0.350092 0.350413 0.363513 0.369539 0.373722 0.374139 0.375102 0.378155 0.389733 0.393241 0.393695 0.399177 0.409147 0.409981 0.416283 0.416329 0.423831 0.427193 0.430545 0.438240 0.457422 0.459411 0.464146 0.477760 0.479586 0.490588 0.502859 0.509012 0.514670 0.523129 0.544872 0.558094 0.565808 0.567532 0.588955 0.590491 0.606812 0.614111 0.621378 0.640310 0.647678 0.649811 0.665309 0.671674 0.680870 0.694753 0.703947 0.732533 0.747475 0.789655 0.811973 0.851036 0.866704 0.878649 0.903053 0.921932 0.924871 0.950131 0.956641 0.960216 0.978233 0.993499 1.001477 1.010330 1.018546 1.042136 1.056572 1.072699 1.079458 1.089526 1.109180 1.109759 1.128499 1.149910 1.168113 1.189736 1.197585 1.210661 1.220041 1.238961 1.245492 1.275091 1.278107 1.319037 1.345988 1.385889 1.421637 1.438519 1.450444 1.497009 1.525030 22.260845 22.444661 22.498281 22.534611 22.574406 22.595746 22.609592 22.622435 22.637358 22.652749 22.666068 22.691439 22.698153 22.725741 22.755796 22.779825 22.783738 22.795052 22.808639 22.826052 15.954897 15.954363 15.955004 15.953690 15.953010 15.954839 15.953151 15.952413 15.954907 15.955125 15.954160 15.953913 15.953971 15.953069 15.953377 15.953987 15.954578 15.952072 15.954889 15.955707 1.462689 1.481126 1.501172 1.502961 1.537147 1.572525 1.564267 1.606188 1.626911 1.507366 1.506693 1.519848 1.490631 1.413964 1.454231 1.515891 1.327987 1.112235 1.362490 1.428966 1.183409 1.269406 1.288354 1.312498 0.888819 1.310328 1.325736 0.923152 1.421450 1.361016 1.320881 1.361818 0.936200 1.235901 1.229805 0.958656 1.387520 1.456128 1.486824 1.013030 1.563921 1.521753 1.059261 1.113401 1.132061 1.190396 1.229850 1.241497 1.407613 1.415017 1.387357 1.441312 1.465414 1.574623 1.635792 1.103658 1.180101 1.231721 1.145947 1.141986 1.626476 1.081211 1.148823 1.121544 1.118900 1.124230 1.123622 1.572631 1.229098 1.190943 1.138141 1.181021 1.252417 1.445041 1.219104 1.372423 1.502376 1.208446 1.153301 1.135287 1.407448 1.339279 1.282598 1.327318 1.368307 1.287155 1.612756 1.338366 1.359197 1.335254 1.247724 1.962006 1.347557 1.329945 1.686099 1.384174 1.720435 1.822197 1.449303 1.563526 1.964305 1.672860 1.426797 1.947435 2.180242 1.444689 1.953942 2.033011 1.947610 1.882866 1.917189 1.475127 1.604518 2.021879 1.450351 1.559197 1.941737 2.223266 2.144995 1.516466 2.216739 1.504046 2.291948 2.157185 1.503292 2.019104 2.373886 1.552082 2.242934 2.070361 1.554859 2.560241 2.303197 1.594356 2.329662 2.523297 1.568440 2.445589 2.641811 2.640053 2.680088 2.723389 1.577881 3.432160 2.724009 2.550556 2.435721 2.517107 2.343066 2.524257 1.983865 2.200370 2.300823 2.474375 2.828679 2.580335 2.695346 2.903077 2.796012 2.640792 2.971677 2.971359 2.990176 2.897354 2.862062 2.725814 2.891212 2.886094 2.528148 2.912843 2.702036 2.754012 2.551793 2.973237 2.650175 2.607022 2.905970 2.943700 3.038680 2.906756 2.720606 2.862510 3.004205 3.186940 2.885627 2.871954 2.843366 2.860522 2.871389 2.833522 2.883103 2.881759 57.413320 57.407233 57.407648 57.406797 57.403380 57.408330 57.409777 57.407591 57.401497 57.397090 57.407019 57.401642 57.402961 57.401309 57.401580 57.395401 57.400773 57.381700 57.393832 57.376433 7.665989681381D+02 PT2227.900S Sun May 7 02:49:34 2017 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 C C 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 0.070303 0.298781 0.203808 0.287932 0.474139 0.174122 -0.822372 0.489342 -0.461695 0.302622 -0.558503 -0.400743 -0.955809 -0.318017 -0.479292 -0.258162 -0.473292 -0.848771 -0.325861 -0.247196 0.256476 0.229163 0.240203 0.227024 0.270557 0.236440 0.236303 0.254086 0.243149 0.231099 0.245085 0.247303 0.232146 0.232090 0.233121 0.234418 0.00000 -9.91454 -9.91449 -9.91018 -9.90527 -9.90455 -9.90420 -9.90313 -9.90312 -9.90203 -9.90116 -9.90104 -9.90048 -9.89777 -9.89420 -9.89303 -0.80364 -0.78373 -0.75249 -0.73792 -0.70774 -0.69591 -0.68415 -0.66269 -0.64990 -0.62955 -0.60769 -0.57044 -0.56537 -0.54664 -0.53397 -0.51834 -0.48263 -0.46264 -0.45453 -0.44365 -0.43532 -0.41688 -0.40838 -0.39257 -0.38241 -0.37977 -0.37524 -0.37304 -0.36903 -0.35792 -0.35092 -0.34954 -0.34952 -0.34087 -0.33543 -0.32798 -0.32435 -0.30871 -0.29477 -0.29102 -0.28254 -0.27653 -0.27283 -0.24833 -0.24140 -0.21007 -0.20122 -0.18120 -0.07628 -0.06045 -0.04755 -0.01444 -0.00879 0.03547 0.05701 0.08468 0.08895 0.09425 0.10575 0.11166 0.11286 0.11316 0.12735 0.12924 0.13812 0.14377 0.14900 0.15228 0.15288 0.15842 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34 35 36 C C 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 0.148461 0.213914 0.194402 0.271600 0.446876 0.188759 -0.782279 0.436144 -0.417980 0.298374 -0.548705 -0.370244 -0.920238 -0.341096 -0.462648 -0.264354 -0.456490 -0.836940 -0.289046 -0.256156 0.240513 0.219854 0.236415 0.220544 0.252311 0.235147 0.234953 0.246095 0.233758 0.224746 0.243099 0.239583 0.232705 0.232715 0.224630 0.230578 0.00000 8.19750962e-02 2.81082010e-01 2.18851197e-04 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0.2084 0.7144 0.0006 0.7442 -100.6948 -100.1915 -125.3014 1.2885 -0.0024 0.0021 8.0345 8.5377 -16.5722 1.2885 -0.0024 0.0021 -10.8157 -29.1740 0.0471 -5.8105 -5.3279 0.0614 -0.1812 -0.7665 0.0172 -0.0349 -5645.5972 -1782.6076 -153.5908 -24.7082 0.1413 -38.2622 0.0511 0.2466 0.0046 -1240.6387 -1202.5053 -370.4178 0.0754 0.0559 -0.9373 0 -770.706738 3.254E-9 8.677E-5 5.973422,6.3475939,-12.3210159,0.9579327,-0.0017584,0.0015702 C01 [X(C20H16)] 0.0819751 0.281082 0.0002189 @ -0.000076963 -0.000256736 0.000011794 -0.000114024 0.000326597 0.000001073 0.000117862 0.000036728 -0.000004978 0.000010845 -0.000151835 -0.000010221 -0.000075770 0.000116184 0.000017591 0.000167302 -0.000210603 -0.000002083 0.000040165 0.000034958 -0.000013539 0.000170800 0.000268200 -0.000002718 -0.000137376 -0.000164719 0.000002452 -0.000001761 0.000093286 0.000029699 0.000117807 -0.000075802 0.000000787 0.000036917 -0.000019422 0.000010232 0.000110304 -0.000106286 0.000014621 -0.000266147 0.000113233 -0.000005460 -0.000016274 -0.000006424 -0.000000300 -0.000052848 -0.000006797 -0.000005493 -0.000159200 0.000024266 0.000000193 0.000058487 -0.000106960 -0.000005978 0.000215221 0.000164447 -0.000001590 0.000020011 -0.000227370 0.000004907 0.000005850 -0.000037025 0.000000210 0.000017647 0.000043011 -0.000002794 -0.000048254 0.000028545 -0.000003214 0.000010815 0.000002687 -0.000001952 -0.000061215 0.000005950 0.000001221 -0.000059854 0.000035528 -0.000002962 -0.000014887 0.000055635 -0.000006834 0.000047015 -0.000029561 -0.000013215 0.000002457 -0.000022445 -0.000003668 0.000034479 0.000025076 -0.000001871 0.000015290 -0.000007664 -0.000001027 -0.000038375 0.000000963 -0.000002186 -0.000011757 0.000031377 -0.000002947 -0.000017997 0.000018644 0.000000184 -0.000039190 -0.000038316 0.000002088 -0.000007384 0.000042654 -0.000002018 240.21399999999988 AuxInfo=1/0/N:18,13,20,19,16,15,17,14,12,11,9,7,10,5,8,6,3,2,4,1/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3/rA:36C3C3C3C3C3C3C3C3C3C3C3C3CC3C3C3C3CC3C3HHHHHHHHHHHHHHHH/rB:s1;s2;s3;s1;s1;s4s5;s6;s2;s4;s8s9;s3;s5;s6;s10;s12s15;s8;s10;s14;s17s19;s7;s9;s11;s12;s13;s13;s13;s14;s15;s16;s17;s18;s18;s18;s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2131 CBGUSER 000040264 EM64L-G09RevD.01 7-May-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 102 C1[X(C20H16)] RPBEPBE SDD Freq #p freq=noraman PBEPBE/SDD 240.21399999999988 0 1 AuxInfo=1/0/N:18,13,20,19,16,15,17,14,12,11,9,7,10,5,8,6,3,2,4,1/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3/rA:36C3C3C3C3C3C3C3C3C3C3C3C3CC3C3C3C3CC3C3HHHHHHHHHHHHHHHH/rB:s1;s2;s3;s1;s1;s4s5;s6;s2;s4;s8s9;s3;s5;s6;s10;s12s15;s8;s10;s14;s17s19;s7;s9;s11;s12;s13;s13;s13;s14;s15;s16;s17;s18;s18;s18;s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-7245.inp" -scrdir="/scratch/" chk=000040264-Freq.chk nprocshared=8 mem=31GB #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 000040264 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 12 12 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 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 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| 0.000294 0.000086 0.006702 0.001220 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -8.794370e-07 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 1375.6201400187 232 544 232 68 68 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 0 240.21399999999988 AuxInfo=1/0/N:18,13,20,19,16,15,17,14,12,11,9,7,10,5,8,6,3,2,4,1/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3/rA:36C3C3C3C3C3C3C3C3C3C3C3C3CC3C3C3C3CC3C3HHHHHHHHHHHHHHHH/rB:s1;s2;s3;s1;s1;s4s5;s6;s2;s4;s8s9;s3;s5;s6;s10;s12s15;s8;s10;s14;s17s19;s7;s9;s11;s12;s13;s13;s13;s14;s15;s16;s17;s18;s18;s18;s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 1.448345 0.000000 2.547410 1.463626 0.000000 2.930277 2.501146 1.438794 0.000000 1.466502 2.487212 2.894603 2.501605 0.000000 1.479365 2.512401 3.876153 4.408076 2.608789 0.000000 2.472342 2.815539 2.457107 1.431445 1.394970 3.857261 0.000000 2.531446 2.877524 4.339233 5.235160 3.907320 1.452214 5.000697 0.000000 2.498267 1.441675 2.494496 3.805821 3.815008 2.861143 4.257077 2.443690 0.000000 4.374292 3.835184 2.509532 1.444303 3.809285 5.852363 2.505749 6.645943 5.003893 0.000000 2.893898 2.468889 3.776814 4.967977 4.357615 2.498392 5.136767 1.434417 1.378121 6.262120 0.000000 3.871045 2.546852 1.433399 2.460728 4.327228 5.058854 3.758468 5.218366 2.930466 2.854026 4.307652 0.000000 2.663478 3.936168 4.410284 3.827423 1.524163 3.200966 2.457406 4.649522 5.156572 4.949897 5.443216 5.839765 0.000000 2.590797 3.868820 5.131812 5.403966 3.143840 1.437403 4.533973 2.440833 4.293172 6.821182 3.768431 6.403176 3.018054 0.000000 5.211760 4.321922 2.858933 2.448255 4.949546 6.644740 3.767523 7.198141 5.189435 1.401161 6.545840 2.451077 6.222889 7.772747 0.000000 5.010138 3.819088 2.462922 2.825815 5.158625 6.311988 4.256878 6.585570 4.327753 2.457444 5.705036 1.397384 6.597453 7.593843 1.424457 0.000000 3.851835 4.306930 5.767504 6.647056 5.117482 2.511662 6.315757 1.430018 3.733240 8.066433 2.466457 6.599558 5.587328 2.808855 8.626072 7.980078 0.000000 5.304113 5.081855 3.904648 2.581494 4.365435 6.760017 2.973715 7.747178 6.366652 1.518789 7.549435 4.372731 5.121377 7.507526 2.530745 3.847985 9.132316 0.000000 3.872523 5.000554 6.360103 6.757213 4.545130 2.491361 5.933533 2.817356 5.115024 8.186747 4.251253 7.544288 4.318008 1.401894 9.084240 8.802781 2.420832 8.907243 0.000000 4.387947 5.195708 6.645936 7.311297 5.390707 2.909750 6.721083 2.463674 4.905499 8.755098 3.756185 7.645312 5.473141 2.457201 9.480594 8.989285 1.395857 9.657702 1.421373 0.000000 3.454836 3.910274 3.442534 2.170819 2.135465 4.738535 1.094753 5.979676 5.351829 2.705174 6.208083 4.627523 2.570650 5.191850 4.096931 4.881636 7.239804 2.560628 6.586506 7.513404 0.000000 3.484539 2.194762 2.693709 4.126475 4.680328 3.952705 4.877604 3.423698 1.091640 5.098408 2.126041 2.547941 6.101525 5.383743 4.982673 3.886364 4.591811 6.563132 6.168331 5.852236 5.955114 0.000000 3.990072 3.463062 4.647833 5.930475 5.453582 3.484476 6.200808 2.184940 2.153423 7.157029 1.096179 4.930589 6.521525 4.625163 7.293926 6.307086 2.668911 8.504670 4.856347 4.062746 7.280261 2.454122 0.000000 4.250227 2.808903 2.204267 3.463882 4.999704 5.202385 4.655198 5.052853 2.616078 3.945729 3.913151 1.092435 6.522853 6.617812 3.427792 2.141329 6.341573 5.464178 7.620248 7.516526 5.598885 1.868748 4.321199 0.000000 3.539368 4.638408 4.805951 3.909267 2.157404 4.268712 2.480821 5.706974 5.968123 4.766288 6.405272 6.186751 1.103108 4.109671 6.130264 6.734641 6.685011 4.610926 5.377914 6.566782 2.105359 6.833151 7.496129 6.997507 0.000000 3.028435 4.358825 4.976611 4.509756 2.199456 3.246202 3.207868 4.652277 5.453881 5.652936 5.578464 6.391781 1.105499 2.801127 6.894473 7.210087 5.435036 5.837940 3.965152 5.177366 3.337693 6.439179 6.617683 7.006501 1.774779 0.000000 3.028686 4.359285 4.976899 4.509773 2.199493 3.246235 3.207742 4.652795 5.454593 5.652855 5.579255 6.392090 1.105530 2.799984 6.894451 7.210226 5.435465 5.837629 3.964309 5.177307 3.337406 6.439956 6.618588 7.006899 1.774819 1.790906 0.000000 2.861560 4.286562 5.353099 5.333075 2.869919 2.199908 4.235383 3.444577 4.993142 6.677824 4.681070 6.722141 2.248795 1.084153 7.771956 7.791632 3.891107 7.153781 2.120437 3.411922 4.689522 6.077277 5.609306 7.094922 3.273039 1.964314 1.961188 0.000000 6.282624 5.418209 3.955121 3.446487 5.924956 7.726678 4.663208 8.294252 6.258016 2.163599 7.622253 3.437301 7.112797 8.826349 1.096294 2.184703 9.721945 2.727835 10.152477 10.572668 4.809786 5.985234 8.341084 4.318427 6.901927 7.794143 7.794025 8.776896 0.000000 5.986259 4.705898 3.453809 3.921457 6.230237 7.218239 5.352530 7.343280 4.972196 3.442561 6.321502 2.162191 7.683278 8.547125 2.184400 1.095657 8.696200 4.714416 9.705560 9.787564 5.960454 4.324930 6.778110 2.456938 7.830116 8.280809 8.280944 8.806810 2.506991 0.000000 4.705466 4.900324 6.321203 7.349295 6.056081 3.488934 7.175259 2.174573 4.031735 8.729886 2.656402 6.962160 6.635883 3.905172 9.149515 8.359349 1.096583 9.891980 3.425053 2.168773 8.148400 4.692726 2.387119 6.537698 7.726707 6.498523 6.499175 4.987672 10.236505 8.967993 0.000000 6.327855 5.971024 4.677796 3.491598 5.453554 7.796983 4.058937 8.720723 7.171883 2.168428 8.418065 4.863616 6.220010 8.590908 2.615849 4.038869 10.123682 1.102926 9.988299 10.703269 3.653750 7.238920 9.324711 5.925502 5.674258 6.924944 6.924590 8.254878 2.344262 4.707491 10.840849 0.000000 5.343026 5.302290 4.272935 2.913349 4.278673 6.745740 2.969849 7.817355 6.635618 2.186691 7.741201 4.897178 4.845035 7.373358 3.271249 4.504955 9.163037 1.106793 8.766279 9.594904 2.372152 6.927035 8.729920 5.973217 4.242099 5.402766 5.689892 6.937159 3.500344 5.397479 9.971914 1.783487 0.000000 5.342780 5.302256 4.272973 2.913300 4.278461 6.745306 2.969669 7.817141 6.635715 2.186807 7.741235 4.897303 4.844900 7.372511 3.271379 4.505075 9.162742 1.106799 8.765442 9.594351 2.372028 6.927276 8.730041 5.973326 4.242158 5.690064 5.402221 6.935942 3.500445 5.397585 9.971758 1.783471 1.780615 0.000000 4.747957 5.976674 7.282333 7.542463 5.188220 3.470940 6.580338 3.913166 6.186192 8.944423 5.347143 8.522702 4.651922 2.159032 9.927904 9.741479 3.416480 9.534127 1.095896 2.184884 7.102301 7.248615 5.934764 8.656147 5.623099 4.193271 4.191866 2.418656 10.975948 10.677172 4.337364 10.630656 9.327886 9.326832 0.000000 5.483069 6.260538 7.717200 8.405583 6.465129 4.004856 7.806488 3.460047 5.871896 9.849158 4.637660 8.675401 6.457942 3.448612 10.560067 10.033569 2.172231 10.749229 2.192010 1.095143 8.578722 6.761540 4.754565 8.487644 7.537415 6.103597 6.103533 4.305925 11.653624 10.803190 2.514709 11.797108 10.674318 10.673744 2.525140 0.000000 C20H16 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 0 240.21399999999988 AuxInfo=1/0/N:18,13,20,19,16,15,17,14,12,11,9,7,10,5,8,6,3,2,4,1/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3/rA:36C3C3C3C3C3C3C3C3C3C3C3C3CC3C3C3C3CC3C3HHHHHHHHHHHHHHHH/rB:s1;s2;s3;s1;s1;s4s5;s6;s2;s4;s8s9;s3;s5;s6;s10;s12s15;s8;s10;s14;s17s19;s7;s9;s11;s12;s13;s13;s13;s14;s15;s16;s17;s18;s18;s18;s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.7925335 0.2210933 0.1732491 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= 11628 NPrTT= 59808 LenC2= 10399 LenP2D= 34098. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 232 RedAO= T EigKep= 1.07D-04 NBF= 232 NBsUse= 232 1.00D-06 EigRej= -1.00D+00 NBFU= 232 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= 224 224 224 224 224 MxSgAt= 36 MxSgA2= 36. 1 Closed 1 0 1 -770.429367469460 -770.539999697289 -0.110632227829 -770.684190887444 -0.144191190156 -770.681479840866 0.002711046578 -770.705666930355 -0.024187089488 -770.706644377879 -0.000977447524 -770.706683432011 -0.000039054132 -770.706696038003 -0.000012605992 -770.706737275573 -0.000041237570 -770.706737071471 0.000000204102 -770.706737719974 -0.000000648503 -770.706737867297 -0.000000147324 -770.706737898187 -0.000000030890 -770.706737899636 -0.000000001449 -770.706737899681 -0.000000000045 -770.706737899749 -0.000000000068 -770.706737899738 0.000000000011 -770.706737900 17 7.665989536796e+02 -4.539144368467e+03 1.626218536869e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep J ints in memory in canonical form, NReq=371778184. IVT= 183726 IEndB= 183726 NGot= 4160749568 MDV= 3795295937 LenX= 3795295937 LenY= 3795241672 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= 27028 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= 4160748972 using IRadAn= 2. Generate precomputed XC quadrature information. Keep J ints in memory in canonical form, NReq=371605141. 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= 27028 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= 1.12D-14 1.00D-09 XBig12= 1.28D+03 1.80D+01. AX will form 108 AO Fock derivatives at one time. 108 vectors produced by pass 1 Test12= 1.12D-14 1.00D-09 XBig12= 1.65D+02 1.96D+00. 108 vectors produced by pass 2 Test12= 1.12D-14 1.00D-09 XBig12= 1.29D+00 1.07D-01. 108 vectors produced by pass 3 Test12= 1.12D-14 1.00D-09 XBig12= 6.07D-04 2.23D-03. 78 vectors produced by pass 4 Test12= 1.12D-14 1.00D-09 XBig12= 6.83D-08 2.59D-05. 14 vectors produced by pass 5 Test12= 1.12D-14 1.00D-09 XBig12= 7.79D-12 1.81D-07. 2 vectors produced by pass 6 Test12= 1.12D-14 1.00D-09 XBig12= 7.12D-15 7.28D-09. InvSVY: IOpt=1 It= 1 EMax= 2.49D-14 Solved reduced A of dimension 526 with 111 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 240.90 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 395.448 11.427 236.729 -0.017 -0.012 90.532 796.656 36.650 531.579 -0.025 -0.053 143.994 (Enter /mnt/data/applications/G09/g09/l716.exe) PT2224.600S Sun May 7 07:34:00 2017 -9.92346 -9.92190 -9.91946 -9.91877 -9.91491 -9.91454 -9.91449 -9.91018 -9.90527 -9.90455 -9.90420 -9.90313 -9.90312 -9.90203 -9.90116 -9.90104 -9.90048 -9.89777 -9.89420 -9.89303 -0.80364 -0.78373 -0.75249 -0.73792 -0.70775 -0.69590 -0.68415 -0.66269 -0.64990 -0.62955 -0.60769 -0.57044 -0.56537 -0.54664 -0.53397 -0.51834 -0.48263 -0.46264 -0.45453 -0.44365 -0.43532 -0.41688 -0.40838 -0.39257 -0.38241 -0.37977 -0.37524 -0.37304 -0.36903 -0.35792 -0.35092 -0.34954 -0.34952 -0.34087 -0.33543 -0.32798 -0.32435 -0.30871 -0.29477 -0.29102 -0.28254 -0.27653 -0.27283 -0.24832 -0.24140 -0.21007 -0.20122 -0.18120 -0.07628 -0.06045 -0.04755 -0.01444 -0.00879 0.03547 0.05701 0.08468 0.08895 0.09425 0.10575 0.11166 0.11286 0.11316 0.12735 0.12924 0.13812 0.14376 0.14900 0.15228 0.15287 0.15842 0.16916 0.17291 0.18422 0.18811 0.19009 0.20103 0.20791 0.21448 0.21741 0.22298 0.23858 0.23937 0.24737 0.24855 0.25480 0.25902 0.26692 0.26953 0.28102 0.28482 0.28827 0.29749 0.30686 0.30892 0.31512 0.32202 0.32303 0.32807 0.33534 0.33662 0.34306 0.35009 0.35041 0.36351 0.36954 0.37372 0.37414 0.37510 0.37815 0.38973 0.39324 0.39370 0.39918 0.40914 0.40998 0.41628 0.41632 0.42383 0.42719 0.43055 0.43824 0.45742 0.45941 0.46414 0.47776 0.47959 0.49059 0.50286 0.50901 0.51467 0.52313 0.54487 0.55809 0.56581 0.56753 0.58896 0.59049 0.60681 0.61411 0.62138 0.64031 0.64768 0.64981 0.66531 0.67167 0.68087 0.69475 0.70395 0.73253 0.74747 0.78965 0.81197 0.85104 0.86671 0.87865 0.90305 0.92193 0.92487 0.95013 0.95664 0.96022 0.97823 0.99350 1.00147 1.01034 1.01855 1.04214 1.05657 1.07270 1.07946 1.08952 1.10918 1.10976 1.12852 1.14991 1.16811 1.18974 1.19759 1.21066 1.22004 1.23896 1.24549 1.27509 1.27811 1.31904 1.34599 1.38589 1.42164 1.43852 1.45044 1.49701 1.52503 22.26085 22.44466 22.49828 22.53461 22.57441 22.59575 22.60959 22.62243 22.63736 22.65275 22.66607 22.69144 22.69815 22.72574 22.75580 22.77983 22.78374 22.79505 22.80864 22.82605 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 C C H H H H H H H H H H H H H H H H 0.148480 0.213897 0.194352 0.271642 0.446844 0.188852 -0.782223 0.436083 -0.417983 0.298304 -0.548719 -0.370235 -0.920234 -0.341078 -0.462637 -0.264350 -0.456487 -0.836937 -0.289060 -0.256157 0.240511 0.219862 0.236413 0.220548 0.252309 0.235148 0.234954 0.246089 0.233756 0.224746 0.243096 0.239583 0.232706 0.232715 0.224633 0.230577 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 C C C C C C C C C C C C C C C C C C C C 0.148480 0.213897 0.194352 0.271642 0.446844 0.188852 -0.541711 0.436083 -0.198121 0.298304 -0.312306 -0.149687 -0.197824 -0.094989 -0.228881 -0.039605 -0.213391 -0.131933 -0.064426 -0.025579 0.00000 -8.59873407e-02 2.79867639e-01 -2.18658976e-04 3.95447769e+02 1.14268089e+01 2.36728999e+02 -1.65801461e-02 -1.17296308e-02 9.05318931e+01 -38.2286 -6.2218 -0.0003 0.0005 0.0009 2.1555 7.3266 50.4558 74.2047 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 -38.1617 50.4462 74.1983 149.6272 175.7205 187.1337 201.3022 203.1301 273.7269 291.4494 291.9005 322.9099 335.5100 359.8585 415.0665 420.6093 426.1482 488.2075 499.1428 504.4307 530.7565 540.2750 551.6031 557.0615 582.2847 585.9076 617.6554 666.6972 705.9035 712.3294 751.9979 756.5073 797.5039 805.4994 818.6108 845.8402 859.8078 870.5544 885.3907 893.2693 913.1523 917.8141 954.4999 973.4846 981.7050 983.1805 991.7145 1003.2476 1029.3688 1046.8897 1049.8685 1052.7569 1093.5399 1096.9038 1141.9337 1173.7110 1181.8372 1199.3397 1232.5308 1244.7833 1257.9608 1271.1763 1281.1366 1293.8770 1320.6912 1367.4943 1384.5774 1398.8574 1401.2530 1403.3976 1416.8207 1423.7123 1445.0507 1453.4421 1466.3189 1473.5948 1484.1077 1489.4598 1501.0880 1528.7741 1533.9123 1576.3503 1605.4968 1614.0948 1621.3017 1630.7474 2972.5545 2973.3159 3047.2077 3057.2176 3073.5278 3084.3727 3120.3936 3122.7961 3126.8550 3133.7504 3139.2863 3144.0535 3159.1569 3167.9831 3182.2830 3266.8845 3.2629 3.7297 3.9185 3.5907 4.2450 1.9377 3.7111 1.3611 4.8150 4.0909 3.7454 2.8246 3.3822 1.4602 2.3050 4.9762 3.7934 2.9082 5.6208 3.6889 6.1750 2.8551 4.3975 6.3437 3.4572 5.0315 2.7349 6.0050 5.6885 3.5191 1.5496 1.2595 2.0880 5.6367 1.4670 5.3728 3.9683 1.8688 1.8808 1.5315 4.6707 2.0147 1.3835 1.4092 1.3617 3.0422 1.3773 1.9613 1.8484 1.5606 2.1910 1.6287 2.3968 2.1271 1.7477 1.2449 1.1617 1.5839 2.3206 1.8863 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