Gaussian 09 GINC-KIMIK2025 CBGUSER 000090375 EM64L-G09RevD.01 16-Jun-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 192.17119999999994 0 1 AuxInfo=1/0/N:9,10,11,12,15,16,13,14,7,8,3,4,1,2,5,6/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,13.3,14.3,15.3,16.3/rA:36C3C3CCC3C3C3C3CCCCC3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;s1;s2;s1;s2s5;s1;s2s7;s3;s3;s4;s4;s5;s6;s13;s14s15;s3;s4;s7;s8;s9;s9;s9;s10;s10;s10;s11;s11;s11;s12;s12;s12;s13;s14;s15;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-14441.inp" -scrdir="/scratch/" chk=000090375.chk nprocshared=4 mem=7GB #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 000090375 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 1 1 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 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 (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 1 1 1 2 2 2 3 3 3 4 4 4 5 5 6 7 7 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 14 14 15 15 16 3 5 7 4 6 8 9 10 17 11 12 18 6 13 14 8 19 20 21 22 23 24 25 26 27 28 29 30 31 32 15 33 16 34 16 35 36 1.4973 1.4043 1.3951 1.4973 1.4044 1.3952 1.5393 1.5392 1.0885 1.5393 1.5393 1.0883 1.4153 1.4043 1.4043 1.3918 1.0866 1.0864 1.0952 1.0956 1.0957 1.0957 1.0957 1.0951 1.0951 1.0957 1.0957 1.0957 1.0957 1.0951 1.3951 1.0825 1.3951 1.0825 1.3917 1.0862 1.0864 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 3 3 5 4 4 6 1 1 1 9 9 10 2 2 2 11 11 12 1 1 6 2 2 5 1 1 8 2 2 7 3 3 3 21 21 22 3 3 3 24 24 25 4 4 4 27 27 28 4 4 4 30 30 31 5 5 15 6 6 16 13 13 16 14 14 15 1 1 1 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 5 7 7 6 8 8 9 10 17 10 17 17 11 12 18 12 18 18 6 13 13 5 14 14 8 19 19 7 20 20 21 22 23 22 23 23 24 25 26 25 26 26 27 28 29 28 29 29 30 31 32 31 32 32 15 33 33 16 34 34 16 35 35 15 36 36 122.0261 117.2972 120.6768 122.0258 117.2898 120.6844 112.4619 112.4714 112.9228 110.1227 104.126 104.1228 112.46 112.4723 112.9242 110.116 104.1283 104.1272 119.2778 121.4525 119.2697 119.2733 121.449 119.2778 120.0536 121.574 118.3724 120.0342 121.5756 118.3902 112.1746 110.5316 110.7912 107.4643 107.8993 107.8057 110.7947 110.532 112.1795 107.8035 107.8914 107.465 112.1882 110.5279 110.7896 107.4581 107.8998 107.8026 110.7896 110.526 112.183 107.8133 107.8932 107.4617 120.6859 124.4466 114.8675 120.6768 124.4572 114.8661 120.0403 120.0336 119.9261 120.0495 120.0297 119.9208 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 5 5 5 7 7 7 3 3 7 7 3 3 5 5 6 6 6 8 8 8 4 4 8 8 4 4 6 6 1 1 1 10 10 10 17 17 17 1 1 1 9 9 9 17 17 17 2 2 2 12 12 12 18 18 18 2 2 2 11 11 11 18 18 18 1 1 13 13 1 1 6 6 2 2 5 5 1 1 19 19 5 5 33 33 6 6 34 34 13 13 35 35 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 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 6 6 6 6 7 7 7 7 13 13 13 13 14 14 14 14 15 15 15 15 3 3 3 3 3 3 5 5 5 5 7 7 7 7 4 4 4 4 4 4 6 6 6 6 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 6 6 6 6 13 13 13 13 14 14 14 14 8 8 8 8 15 15 15 15 16 16 16 16 16 16 16 16 9 10 17 9 10 17 6 13 6 13 8 19 8 19 11 12 18 11 12 18 5 14 5 14 7 20 7 20 21 22 23 21 22 23 21 22 23 24 25 26 24 25 26 24 25 26 27 28 29 27 28 29 27 28 29 30 31 32 30 31 32 30 31 32 2 14 2 14 15 33 15 33 16 34 16 34 2 20 2 20 16 35 16 35 15 36 15 36 14 36 14 36 -117.4193 117.56 0.0691 62.5134 -62.5073 -179.9982 179.9354 -0.0651 0.0049 -179.9955 -179.9431 0.0474 -0.0095 179.981 -117.5067 117.4824 -0.0157 62.5102 -62.5007 -179.9988 -179.9821 0.0223 0.0005 -179.9952 179.9783 -0.0054 -0.005 -179.9887 -65.1971 174.8884 55.4509 61.0998 -58.8147 -178.2522 172.2108 52.2963 -67.1412 -55.4429 -174.8803 65.2008 178.2655 58.8281 -61.0908 67.1524 -52.2849 -172.2038 -65.1992 174.8878 55.4576 61.0922 -58.8208 -178.251 172.2066 52.2936 -67.1366 -55.4469 -174.8893 65.1979 178.2687 58.8263 -61.0866 67.1535 -52.2889 -172.2017 -0.0004 179.9953 -180.0 -0.0043 180.0 -0.0054 -0.0005 179.9942 -179.995 -0.0017 0.0094 -179.9974 0.0095 179.9937 -179.9813 0.0029 0.0002 -179.9923 -179.9949 0.0126 -0.0097 179.9958 179.9965 0.0019 0.0048 179.9993 179.9974 -0.0081 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 205 216 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= 9316 NPrTT= 46756 LenC2= 8691 LenP2D= 28784. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 200 RedAO= T EigKep= 2.34D-04 NBF= 200 NBsUse= 200 1.00D-06 EigRej= -1.00D+00 NBFU= 200 Using GEDIIS/GDIIS optimizer. local minimum Step number 5 out of a maximum of 205 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00246 0.00246 0.00247 0.00259 0.00801 0.00801 0.01518 0.01607 0.01985 0.01999 0.02001 0.02083 0.02090 0.02092 0.02094 0.02159 0.02165 0.02168 0.02169 0.02179 0.02181 0.03787 0.04255 0.04722 0.04916 0.05415 0.05422 0.05423 0.05423 0.05460 0.05487 0.05487 0.05488 0.05656 0.05657 0.13779 0.14468 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16034 0.16136 0.16206 0.16841 0.16842 0.17844 0.18342 0.22000 0.22191 0.22468 0.24479 0.24580 0.25000 0.25000 0.27427 0.28582 0.28584 0.28590 0.29824 0.32660 0.33136 0.34157 0.34158 0.34159 0.34160 0.34164 0.34165 0.34174 0.34183 0.34222 0.34228 0.34231 0.34677 0.34998 0.35176 0.35221 0.35234 0.35251 0.35441 0.35692 0.35871 0.39349 0.41366 0.42168 0.43000 0.44599 0.45657 0.45799 0.45827 0.46658 0.47991 0.51444 RFO step: Lambda=-5.04559193D-07. 1 2 0.00070268 0.00000028 0.00000013 0.00000003 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 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 2.90293 2.73645 2.64822 2.90293 2.73645 2.64822 2.93559 2.93556 2.08648 2.93557 2.93558 2.08648 2.76611 2.71888 2.71888 2.68402 2.07209 2.07209 2.08899 2.09033 2.08790 2.08789 2.09033 2.08899 2.08899 2.09033 2.08789 2.08789 2.09033 2.08899 2.63595 2.06683 2.63595 2.06683 2.69673 2.07049 2.07049 2.15288 2.07205 2.05826 2.15288 2.07205 2.05826 1.94531 1.94546 1.90909 1.93513 1.86249 1.86243 1.94538 1.94538 1.90909 1.93513 1.86246 1.86246 2.09371 2.12944 2.06003 2.09371 2.12945 2.06003 2.13122 2.08380 2.06817 2.13122 2.08380 2.06817 1.94076 1.92835 1.93947 1.88118 1.88085 1.89116 1.93947 1.92831 1.94084 1.89116 1.88087 1.88112 1.94080 1.92833 1.93947 1.88115 1.88085 1.89116 1.93947 1.92833 1.94080 1.89116 1.88086 1.88115 2.13118 2.08410 2.06791 2.13118 2.08410 2.06791 2.09197 2.09666 2.09455 2.09197 2.09666 2.09455 -2.05429 2.05648 0.00109 1.08715 -1.08526 -3.14065 3.14151 -0.00006 0.00006 -3.14150 -3.14152 0.00010 -0.00007 3.14155 -2.05535 2.05543 0.00004 1.08625 -1.08616 -3.14155 3.14158 -0.00001 -0.00003 3.14157 -3.14158 0.00000 0.00002 -3.14158 -1.09940 3.09561 0.99575 1.07879 -1.00938 -3.10924 3.10051 1.01234 -1.08753 -0.99550 -3.09533 1.09973 3.10958 1.00974 -1.07838 1.08783 -1.01201 -3.10013 -1.09955 3.09548 0.99563 1.07860 -1.00955 -3.10940 3.10034 1.01218 -1.08767 -0.99559 -3.09545 1.09959 3.10944 1.00959 -1.07856 1.08770 -1.01215 -3.10030 -0.00002 3.14157 3.14155 -0.00004 -3.14159 0.00002 0.00003 -3.14155 -3.14157 0.00002 0.00003 -3.14158 0.00003 -3.14156 3.14159 0.00000 0.00000 3.14159 3.14158 -0.00001 0.00000 3.14158 -3.14158 0.00000 -0.00001 3.14159 3.14158 0.00000 -0.00007 -0.00009 0.00000 -0.00007 -0.00009 0.00000 -0.00008 -0.00008 0.00003 -0.00008 -0.00008 0.00003 -0.00016 0.00009 0.00009 0.00006 0.00001 0.00001 0.00002 0.00000 0.00001 0.00001 0.00000 0.00002 0.00002 0.00000 0.00001 0.00001 0.00000 0.00002 -0.00001 -0.00001 -0.00001 -0.00001 0.00012 0.00000 0.00001 0.00007 -0.00013 0.00006 0.00007 -0.00013 0.00006 -0.00004 -0.00004 0.00003 0.00006 0.00000 0.00000 -0.00004 -0.00004 0.00003 0.00006 0.00000 0.00000 0.00000 -0.00004 0.00004 0.00000 -0.00004 0.00004 -0.00006 0.00005 0.00001 -0.00006 0.00005 0.00001 0.00006 0.00000 -0.00001 -0.00002 -0.00002 0.00000 -0.00001 0.00000 0.00006 0.00000 -0.00002 -0.00003 0.00006 0.00000 -0.00001 -0.00003 -0.00002 0.00000 -0.00001 0.00000 0.00006 0.00000 -0.00002 -0.00003 -0.00004 0.00005 -0.00001 -0.00004 0.00005 -0.00001 0.00000 0.00004 -0.00004 0.00000 0.00004 -0.00004 0.00001 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00002 0.00001 0.00003 -0.00002 -0.00003 -0.00002 0.00000 0.00000 0.00001 -0.00003 -0.00001 -0.00002 0.00002 0.00003 0.00002 -0.00001 0.00000 0.00000 0.00002 0.00001 0.00003 -0.00002 -0.00003 -0.00002 0.00000 0.00000 0.00001 -0.00003 -0.00001 -0.00002 0.00002 0.00003 0.00002 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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0.00050 0.00004 -0.00011 -0.00015 -0.00011 -0.00020 -0.00011 0.00004 0.00051 -0.00020 -0.00011 -0.00015 0.00050 0.00004 -0.00011 -0.00015 -0.00011 -0.00020 -0.00011 0.00004 0.00051 -0.00020 -0.00011 -0.00015 -0.00025 0.00030 -0.00005 -0.00025 0.00030 -0.00005 0.00006 0.00026 -0.00031 0.00006 0.00026 -0.00031 -0.00002 0.00028 0.00014 -0.00003 0.00027 0.00013 0.00002 0.00003 0.00003 0.00004 -0.00001 -0.00001 -0.00003 -0.00002 -0.00011 0.00019 0.00004 -0.00012 0.00018 0.00003 -0.00002 -0.00003 -0.00002 -0.00003 0.00003 0.00002 0.00002 0.00002 0.00001 -0.00016 0.00013 -0.00068 -0.00085 -0.00056 -0.00021 -0.00038 -0.00009 -0.00011 0.00019 0.00002 0.00059 0.00088 0.00071 0.00011 0.00041 0.00024 -0.00001 -0.00018 0.00012 -0.00070 -0.00086 -0.00057 -0.00022 -0.00039 -0.00010 -0.00013 0.00017 0.00000 0.00057 0.00086 0.00070 0.00010 0.00039 0.00022 -0.00001 0.00000 -0.00002 -0.00001 0.00000 0.00000 0.00001 0.00002 0.00002 0.00002 0.00001 0.00001 0.00000 0.00001 -0.00001 0.00000 0.00000 0.00001 -0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00001 0.00000 -0.00001 -0.00001 2.90284 2.73614 2.64825 2.90284 2.73614 2.64825 2.93529 2.93527 2.08652 2.93528 2.93528 2.08652 2.76555 2.71907 2.71907 2.68414 2.07208 2.07208 2.08903 2.09030 2.08790 2.08790 2.09030 2.08902 2.08902 2.09030 2.08790 2.08790 2.09030 2.08902 2.63590 2.06678 2.63590 2.06679 2.69707 2.07047 2.07047 2.15307 2.07165 2.05846 2.15307 2.07165 2.05846 1.94487 1.94502 1.90937 1.93540 1.86269 1.86261 1.94494 1.94495 1.90937 1.93540 1.86265 1.86265 2.09372 2.12924 2.06023 2.09372 2.12924 2.06023 2.13100 2.08414 2.06804 2.13100 2.08414 2.06804 1.94127 1.92839 1.93936 1.88103 1.88073 1.89096 1.93936 1.92835 1.94135 1.89096 1.88075 1.88097 1.94131 1.92837 1.93936 1.88100 1.88074 1.89096 1.93936 1.92837 1.94131 1.89096 1.88075 1.88100 2.13093 2.08440 2.06785 2.13093 2.08440 2.06785 2.09203 2.09692 2.09424 2.09203 2.09692 2.09424 -2.05431 2.05677 0.00123 1.08712 -1.08499 -3.14052 3.14153 -0.00003 0.00010 -3.14146 -3.14154 0.00009 -0.00010 3.14154 -2.05546 2.05562 0.00008 1.08613 -1.08597 -3.14152 3.14155 -0.00005 -0.00004 3.14154 -3.14155 0.00003 0.00004 -3.14156 -1.09939 3.09545 0.99588 1.07812 -1.01023 -3.10980 3.10030 1.01195 -1.08762 -0.99560 -3.09514 1.09975 3.11017 1.01062 -1.07767 1.08794 -1.01161 -3.09990 -1.09956 3.09531 0.99575 1.07791 -1.01041 -3.10997 3.10011 1.01179 -1.08776 -0.99572 -3.09528 1.09959 3.11001 1.01045 -1.07787 1.08780 -1.01176 -3.10007 -0.00003 3.14157 3.14153 -0.00006 -3.14159 0.00002 0.00004 -3.14154 -3.14155 0.00003 0.00004 -3.14157 0.00003 -3.14155 3.14158 0.00000 0.00000 -3.14159 3.14158 -0.00002 0.00000 3.14158 -3.14158 0.00000 -0.00002 3.14158 3.14157 -0.00001 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000162 0.000035 0.002472 0.000703 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -5.838482e-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 1 1 1 2 2 2 3 3 3 4 4 4 5 5 6 7 7 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 14 14 15 15 16 3 5 7 4 6 8 9 10 17 11 12 18 6 13 14 8 19 20 21 22 23 24 25 26 27 28 29 30 31 32 15 33 16 34 16 35 36 1.5362 1.4481 1.4014 1.5362 1.4481 1.4014 1.5534 1.5534 1.1041 1.5534 1.5534 1.1041 1.4638 1.4388 1.4388 1.4203 1.0965 1.0965 1.1054 1.1062 1.1049 1.1049 1.1062 1.1054 1.1054 1.1062 1.1049 1.1049 1.1062 1.1054 1.3949 1.0937 1.3949 1.0937 1.427 1.0957 1.0957 -DE/DX = -0.0001|-DE/DX = -0.0001|-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 = 0.0|-DE/DX = -0.0001|-DE/DX = -0.0001|-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 = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 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 3 3 5 4 4 6 1 1 1 9 9 10 2 2 2 11 11 12 1 1 6 2 2 5 1 1 8 2 2 7 3 3 3 21 21 22 3 3 3 24 24 25 4 4 4 27 27 28 4 4 4 30 30 31 5 5 15 6 6 16 13 13 16 14 14 15 1 1 1 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 5 7 7 6 8 8 9 10 17 10 17 17 11 12 18 12 18 18 6 13 13 5 14 14 8 19 19 7 20 20 21 22 23 22 23 23 24 25 26 25 26 26 27 28 29 28 29 29 30 31 32 31 32 32 15 33 33 16 34 34 16 35 35 15 36 36 123.3509 118.7197 117.9294 123.351 118.7196 117.9294 111.4579 111.4665 109.3827 110.875 106.7128 106.7092 111.4623 111.462 109.3826 110.8751 106.711 106.711 119.9607 122.008 118.0313 119.9606 122.0083 118.0311 122.1099 119.3927 118.4975 122.11 119.3927 118.4973 111.1976 110.4864 111.1233 107.7835 107.7647 108.3555 111.1235 110.4841 111.2018 108.3555 107.7657 107.7803 111.1998 110.4852 111.1233 107.782 107.765 108.3555 111.1234 110.4853 111.1996 108.3555 107.7652 107.7819 122.1077 119.4099 118.4824 122.1078 119.4099 118.4823 119.8611 120.1298 120.0091 119.861 120.1298 120.0091 -DE/DX = 0.0001|-DE/DX = -0.0001|-DE/DX = 0.0001|-DE/DX = 0.0001|-DE/DX = -0.0001|-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 = 0.0|-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 = -0.0001|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = -0.0001|-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 = 0.0001|-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 = 0.0001|-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 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 5 5 5 7 7 7 3 3 7 7 3 3 5 5 6 6 6 8 8 8 4 4 8 8 4 4 6 6 1 1 1 10 10 10 17 17 17 1 1 1 9 9 9 17 17 17 2 2 2 12 12 12 18 18 18 2 2 2 11 11 11 18 18 18 1 1 13 13 1 1 6 6 2 2 5 5 1 1 19 19 5 5 33 33 6 6 34 34 13 13 35 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 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 6 6 6 6 7 7 7 7 13 13 13 13 14 14 14 14 15 15 15 3 3 3 3 3 3 5 5 5 5 7 7 7 7 4 4 4 4 4 4 6 6 6 6 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 6 6 6 6 13 13 13 13 14 14 14 14 8 8 8 8 15 15 15 15 16 16 16 16 16 16 16 9 10 17 9 10 17 6 13 6 13 8 19 8 19 11 12 18 11 12 18 5 14 5 14 7 20 7 20 21 22 23 21 22 23 21 22 23 24 25 26 24 25 26 24 25 26 27 28 29 27 28 29 27 28 29 30 31 32 30 31 32 30 31 32 2 14 2 14 15 33 15 33 16 34 16 34 2 20 2 20 16 35 16 35 15 36 15 36 14 36 14 -117.7024 117.8278 0.0623 62.2892 -62.1806 -179.9461 179.9953 -0.0033 0.0036 -179.995 -179.9961 0.0058 -0.004 179.9978 -117.7629 117.7673 0.0022 62.2376 -62.2323 -179.9973 179.999 -0.0008 -0.0014 179.9987 -179.9992 0.0003 0.0012 -179.9993 -62.9911 177.3656 57.0522 61.8104 -57.833 -178.1463 177.646 58.0026 -62.3107 -57.0377 -177.3496 63.0098 178.1657 57.8538 -61.7868 62.3279 -57.984 -177.6246 -62.9997 177.3581 57.0456 61.7993 -57.8429 -178.1555 177.6361 57.9939 -62.3186 -57.0433 -177.356 63.002 178.1576 57.845 -61.797 62.3208 -57.9918 -177.6338 -0.001 179.9989 179.9977 -0.0024 -179.9997 0.0009 0.0016 -179.9977 -179.9984 0.0009 0.0017 -179.999 0.0016 -179.9979 179.9998 0.0003 0.0 -180.0002 179.9994 -0.0008 -0.0001 179.9993 -179.9993 0.0001 -0.0009 179.9997 179.9994 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0 192.17119999999994 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AuxInfo=1/0/N:9,10,11,12,15,16,13,14,7,8,3,4,1,2,5,6/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,13.3,14.3,15.3,16.3/rA:36C3C3CCC3C3C3C3CCCCC3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;s1;s2;s1;s2s5;s1;s2s7;s3;s3;s4;s4;s5;s6;s13;s14s15;s3;s4;s7;s8;s9;s9;s9;s10;s10;s10;s11;s11;s11;s12;s12;s12;s13;s14;s15;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 2.910110 0.000000 1.536164 4.444515 0.000000 4.444514 1.536164 5.977062 0.000000 1.448069 2.521234 2.627275 3.956210 0.000000 2.521234 1.448070 3.956208 2.627277 1.463764 0.000000 1.401376 2.469240 2.528349 3.857705 2.441666 2.835621 0.000000 2.469238 1.401376 3.857705 2.528348 2.835620 2.441665 1.420320 0.000000 2.553220 5.194482 1.553447 6.666625 3.686799 4.887290 3.108787 4.433079 0.000000 2.553339 5.194679 1.553433 6.666788 3.687830 4.888137 3.107990 4.432591 2.558541 0.000000 5.194567 2.553280 6.666713 1.553439 4.887699 3.687301 4.432849 3.108412 7.483352 7.032284 0.000000 5.194591 2.553278 6.666697 1.553440 4.887729 3.687331 4.432818 3.108361 7.032081 7.482973 2.558541 0.000000 2.524988 3.817153 3.055853 5.115673 1.438770 2.488399 3.776599 4.273455 4.135752 4.137467 6.075737 6.075759 0.000000 3.817151 2.524992 5.115669 3.055862 2.488396 1.438770 4.273456 3.776600 6.075119 6.076371 4.136594 4.136642 2.816071 0.000000 3.807158 4.318257 4.450498 5.323210 2.479752 2.870199 4.921254 5.123047 5.478181 5.480089 6.328989 6.329016 1.394885 2.442207 0.000000 4.318254 3.807161 5.323203 4.450507 2.870197 2.479753 5.123047 4.921255 6.328152 6.329841 5.479123 5.479165 2.442207 1.394886 1.427048 0.000000 2.169026 4.958431 1.104118 6.484854 2.703920 4.160693 3.433802 4.636202 2.149131 2.149070 7.256626 7.256992 2.565751 5.081533 3.896455 4.993166 0.000000 4.958431 2.169025 6.484853 1.104118 4.160694 2.703921 4.636202 3.433800 7.256540 7.257079 2.149100 2.149102 5.081538 2.565759 4.993173 3.896464 6.831827 0.000000 2.162057 3.442776 2.706213 4.697539 3.441941 3.931609 1.096503 2.169273 2.947144 2.945427 5.101640 5.101591 4.678471 5.369763 5.907814 6.198572 3.773186 5.575717 0.000000 3.442774 2.162057 4.697539 2.706212 3.931608 3.441941 2.169272 1.096504 5.102061 5.101173 2.946331 2.946236 5.369762 4.678474 6.198572 5.907816 5.575717 3.773185 2.466644 0.000000 2.844948 5.148722 2.208411 6.534615 4.157432 5.152396 2.868897 4.149531 1.105447 2.835343 7.248950 6.761683 4.891859 6.461502 6.235345 6.921722 3.084545 7.262560 2.367034 4.605673 0.000000 3.512856 6.264285 2.199903 7.751904 4.588071 5.880602 4.135042 5.498006 1.106155 2.792788 8.532885 8.138135 4.806669 7.009712 6.130420 7.125576 2.475832 8.323515 3.864454 6.142946 1.786765 0.000000 2.796688 5.125573 2.207033 6.539578 3.618178 4.729851 3.418294 4.548582 1.104867 3.526329 7.551406 6.768171 3.968823 5.797043 5.188472 5.997325 2.513272 7.044583 3.474037 5.263795 1.785510 1.792777 0.000000 2.796731 5.125680 2.207021 6.539609 3.619885 4.731193 3.416802 4.547491 3.526337 1.104865 6.767802 7.550902 3.971914 5.799175 5.191956 6.000340 2.513320 7.045312 3.471279 5.262017 3.855650 3.805298 4.383083 0.000000 3.512915 6.264435 2.199860 7.752037 4.588786 5.881218 4.134518 5.497670 2.792914 1.106154 8.138346 8.532565 4.807946 7.010663 6.131902 7.126885 2.475605 8.323938 3.863309 6.142313 3.168965 2.570386 3.805289 1.792775 0.000000 2.845309 5.149285 2.208451 6.535157 4.158664 5.153567 2.868290 4.149321 2.835211 1.105447 6.762696 7.248497 4.893589 6.463061 6.237333 6.923627 3.084529 7.263494 2.365021 4.604964 2.664325 3.168481 3.855646 1.785520 1.786728 0.000000 5.148982 2.845126 6.534885 2.208432 5.152960 4.158030 4.149434 2.868616 7.249118 6.762079 1.105447 2.835285 6.462265 4.892706 6.922660 6.236322 7.262827 3.084538 4.605339 2.366085 6.867233 8.279557 7.416209 6.580705 7.854718 6.329077 0.000000 6.264349 3.512886 7.751976 2.199880 5.880899 4.588420 5.497847 4.134795 8.532879 8.138340 1.106154 2.792847 7.010185 4.807300 7.126230 6.131157 8.323566 2.475721 6.142646 3.863911 8.279400 9.595097 8.549494 7.862657 9.244371 7.855250 1.786747 0.000000 5.125610 2.796714 6.539613 2.207025 4.730499 3.619008 4.548069 3.417593 7.551362 6.768310 1.104866 3.526332 5.798095 3.970330 5.998813 5.190182 7.044630 2.513290 5.262955 3.472733 7.415997 8.549465 7.707819 6.340167 7.863105 6.582193 1.785513 1.792776 0.000000 5.125627 2.796694 6.539558 2.207027 4.730536 3.619050 4.547988 3.417486 6.767647 7.550932 3.526333 1.104865 5.798122 3.970419 5.998858 5.190261 7.045251 2.513307 5.262840 3.472566 6.580369 7.862508 6.340067 7.707560 8.549066 7.415214 3.855648 3.805298 4.383082 0.000000 6.264369 3.512884 7.751963 2.199882 5.880918 4.588435 5.497829 4.134766 8.138141 8.532573 2.792864 1.106154 7.010193 4.807324 7.126237 6.131175 8.323884 2.475711 6.142616 3.863856 7.854301 9.244165 7.862970 8.549054 9.594837 8.279085 3.168753 2.570396 3.805301 1.792776 0.000000 5.149032 2.845138 6.534895 2.208430 5.153014 4.158077 4.149423 2.868576 6.762313 7.248337 2.835264 1.105447 6.462312 4.892763 6.922708 6.236378 7.263236 3.084537 4.605303 2.365971 6.328512 7.854843 6.581886 7.415025 8.278933 6.866265 2.664318 3.168697 3.855639 1.785515 1.786746 0.000000 2.757141 4.707521 2.686237 6.092488 2.193566 3.483499 4.144920 4.928087 3.723659 3.725542 7.003839 7.003848 1.093718 3.909561 2.144066 3.425837 1.863473 6.136069 4.869540 6.004393 4.638542 4.177001 3.638944 3.642361 4.178448 4.640257 7.292875 7.981311 6.706203 6.706205 7.981310 7.292911 0.000000 4.707521 2.757146 6.092485 2.686249 3.483498 2.193567 4.928091 4.144924 7.003280 7.004405 3.724584 3.724641 3.909561 1.093718 3.425837 2.144065 6.136065 1.863485 6.004397 4.869547 7.292148 7.980877 6.705273 6.707142 7.981745 7.293628 4.639385 4.177716 3.640607 3.640721 4.177749 4.639442 5.002874 0.000000 4.687021 5.413910 5.076653 6.391608 3.469129 3.965848 5.895867 6.192312 6.060927 6.063055 7.381728 7.381750 2.163441 3.432992 1.095656 2.191098 4.329854 5.998705 6.833739 7.274844 6.926430 6.566748 5.747871 5.751806 6.568456 6.928575 7.997354 8.152103 7.004042 7.004081 8.152106 7.997399 2.466483 4.325021 0.000000 5.413907 4.687025 6.391601 5.076662 3.965846 3.469130 6.192312 5.895868 7.380831 7.382634 6.061978 6.062023 3.432992 2.163441 2.191098 1.095655 5.998697 4.329864 7.274844 6.833742 7.996350 8.151387 7.002441 7.005672 8.152814 7.998384 6.927487 6.567599 5.749803 5.749893 6.567618 6.927542 4.325021 2.466481 2.523005 0.000000 0.6943424 0.3996733 0.2857061 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= 196 196 196 196 196 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= 9316 NPrTT= 46756 LenC2= 8655 LenP2D= 28529. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 200 RedAO= T EigKep= 2.43D-04 NBF= 200 NBsUse= 200 1.00D-06 EigRej= -1.00D+00 NBFU= 200 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= 196 196 196 196 196 MxSgAt= 36 MxSgA2= 36. 1 Closed 1 0 1 -620.477484502830 -620.607097906889 -0.129613404059 -620.828037150557 -0.220939243668 -620.827305843031 0.000731307526 -620.830947884848 -0.003642041816 -620.831386373065 -0.000438488217 -620.831403675546 -0.000017302482 -620.831405365233 -0.000001689686 -620.831293422290 0.000111942943 -620.831293952069 -0.000000529779 -620.831293827179 0.000000124890 -620.831293983504 -0.000000156325 -620.831293984993 -0.000000001489 -620.831293985771 -0.000000000778 -620.831293985874 -0.000000000103 -620.831293985859 0.000000000015 -620.831293986 16 6.185236025117e+02 -3.587591139703e+03 1.274566092032e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=206216272. IVT= 141022 IEndB= 141022 NGot= 939524096 MDV= 737368025 LenX= 737368025 LenY= 737327584 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= 20100 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. -3.79589821e-05 2.32952706e-04 6.10714449e-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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.016125498 0.022189742 0.000069617 -0.016126076 0.022220897 0.000028191 0.020902419 0.006749071 0.000004346 -0.020878963 0.006874549 -0.000027604 0.012164710 0.000104693 -0.000024076 -0.012203947 0.000195151 -0.000019487 0.009040438 -0.001731507 -0.000025667 -0.008997997 -0.001952174 0.000002725 -0.000654550 0.001209278 0.003521275 -0.000568332 0.001170742 -0.003570282 0.000558682 0.001146299 -0.003519955 0.000590133 0.001135203 0.003537685 0.003182612 -0.031642225 0.000002357 -0.003140081 -0.031663144 0.000021598 0.022123094 0.000947018 0.000008976 -0.022207190 0.000813209 -0.000005565 -0.002039946 -0.012003306 -0.000003114 0.001996745 -0.012077140 -0.000001205 0.006212601 0.003361662 -0.000004405 -0.006234363 0.003436334 -0.000003348 -0.002590388 0.006311240 0.000222511 0.006999756 -0.000095159 -0.000363605 -0.002295609 -0.002217562 0.005592229 -0.002279315 -0.002216631 -0.005583937 0.006938159 -0.000088949 0.000372452 -0.002600789 0.006384039 -0.000218341 0.002613971 0.006352953 -0.000213174 -0.006944449 -0.000095173 0.000369711 0.002290829 -0.002217147 -0.005601145 0.002272406 -0.002213016 0.005582448 -0.006929924 -0.000098837 -0.000353907 0.002609547 0.006379354 0.000210186 0.007240887 0.006897055 -0.000001845 -0.007226666 0.006907933 -0.000002282 0.003982847 -0.005287172 -0.000005518 -0.003926749 -0.005187281 0.000002156 0.031663144 0.008185547 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -620.847323983958 -620.847339105972 -0.000015122014 -620.847338216154 0.000000889818 -620.847339397397 -0.000001181243 -620.847339424378 -0.000000026981 -620.847339425134 -0.000000000756 -620.847339425287 -0.000000000152 -620.847339425266 0.000000000020 -620.847339425273 -0.000000000007 -620.847339425 9 6.173944131751e+02 -3.547109880848e+03 1.254992703092e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=206216272. IVT= 141022 IEndB= 141022 NGot= 939524096 MDV= 737368025 LenX= 737368025 LenY= 737327584 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= 20100 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 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 -9.912196 -9.912002 -9.905583 -9.905563 -9.905476 -9.905461 -9.901364 -9.901095 -9.899755 -9.899742 -9.894677 -9.894398 -9.880796 -9.880794 -9.880785 -9.880783 -0.789945 -0.745600 -0.737522 -0.700782 -0.676853 -0.664272 -0.634176 -0.610502 -0.610466 -0.566079 -0.550350 -0.548191 -0.516952 -0.484649 -0.459493 -0.448066 -0.429870 -0.402328 -0.401616 -0.389925 -0.374230 -0.370184 -0.367817 -0.360670 -0.359674 -0.351419 -0.348873 -0.337408 -0.334559 -0.327515 -0.314684 -0.303165 -0.297118 -0.297090 -0.296605 -0.284135 -0.274588 -0.270515 -0.264202 -0.240290 -0.215426 -0.180870 -0.063176 -0.035508 -0.002549 0.052311 0.086116 0.091476 0.094479 0.106712 0.106889 0.110684 0.118193 0.128667 0.131886 0.132080 0.142235 0.149788 0.150003 0.151466 0.163148 0.167279 0.173792 0.175746 0.186948 0.188884 0.190924 0.191915 0.197732 0.209317 0.213782 0.219108 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22.750244 22.785398 22.822850 15.953997 15.953805 15.955969 15.958593 15.954922 15.956170 15.954998 15.955356 15.953206 15.955121 15.953797 15.953023 15.956481 15.956647 15.957598 15.957790 1.455698 1.480383 1.396946 1.395258 1.567583 1.628094 1.604637 1.347842 1.348471 1.476565 1.442426 1.355949 1.432638 1.300626 1.081195 1.452758 1.131894 1.175326 1.069981 1.111111 1.159617 1.160406 0.975615 1.372129 1.035861 1.264892 1.208767 0.985777 0.992151 0.985328 1.278629 1.343938 1.175751 1.141533 1.314951 1.232734 1.112117 1.352173 1.454632 1.159349 1.169388 1.278611 1.402649 1.424656 1.467392 1.562127 1.121850 1.193765 1.153570 1.147359 1.165400 1.127365 1.020952 1.148620 1.119615 1.131266 1.570040 0.966970 1.001831 1.158791 1.164958 1.191730 0.907970 1.298734 0.923307 1.239367 1.046274 0.995303 1.161848 0.899546 1.348913 1.281077 0.916826 1.294368 1.090626 1.168626 1.657562 1.149458 1.508064 1.276743 1.324894 1.641653 1.468030 1.631731 1.881134 1.252350 1.426560 1.957932 1.929814 1.028857 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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 H H H H H H H H H H H H H H H H H H H H 0.459740 0.459631 -0.238277 -0.238313 0.177632 0.177597 -0.505640 -0.505777 -0.713536 -0.713694 -0.713658 -0.713591 -0.419527 -0.419562 -0.281877 -0.281707 0.214996 0.215056 0.240461 0.240578 0.215683 0.214640 0.229604 0.229604 0.214626 0.215710 0.215733 0.214613 0.229611 0.229591 0.214608 0.215723 0.229422 0.229438 0.230483 0.230376 0.00000 -9.90546 -9.90136 -9.90110 -9.89976 -9.89974 -9.89468 -9.89440 -9.88080 -9.88079 -9.88079 -9.88078 -0.78995 -0.74560 -0.73752 -0.70078 -0.67685 -0.66427 -0.63418 -0.61050 -0.61047 -0.56608 -0.55035 -0.54819 -0.51695 -0.48465 -0.45949 -0.44807 -0.42987 -0.40233 -0.40162 -0.38992 -0.37423 -0.37018 -0.36782 -0.36067 -0.35967 -0.35142 -0.34887 -0.33741 -0.33456 -0.32752 -0.31468 -0.30317 -0.29712 -0.29709 -0.29661 -0.28414 -0.27459 -0.27051 -0.26420 -0.24029 -0.21543 -0.18087 -0.06318 -0.03551 -0.00255 0.05231 0.08612 0.09148 0.09448 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22.62185 22.62439 22.63080 22.66291 22.67657 22.68277 22.70468 22.74011 22.75024 22.78540 22.82285 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 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 -9.91220 -9.91200 -9.90558 -9.90556 -9.90548 -9.90546 -9.90136 -9.90110 -9.89976 -9.89974 -9.89468 -9.89440 -9.88080 -9.88079 -9.88079 -9.88078 -0.78995 -0.74560 -0.73752 -0.70078 -0.67685 -0.66427 -0.63418 -0.61050 -0.61047 -0.56608 -0.55035 -0.54819 -0.51695 -0.48465 -0.45949 -0.44807 -0.42987 -0.40233 -0.40162 -0.38992 -0.37423 -0.37018 -0.36782 -0.36067 -0.35967 -0.35142 -0.34887 -0.33741 -0.33456 -0.32752 -0.31468 -0.30317 -0.29712 -0.29709 -0.29661 -0.28414 -0.27459 -0.27051 -0.26420 -0.24029 -0.21543 -0.18087 -0.06318 -0.03551 -0.00255 0.05231 0.08612 0.09148 0.09448 0.10671 0.10689 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1S 2S 23 H 1S 2S 24 H 1S 2S 25 H 1S 2S 26 H 1S 2S 27 H 1S 2S 28 H 1S 2S 29 H 1S 2S 30 H 1S 2S 31 H 1S 2S 32 H 1S 2S 33 H 1S 2S 34 H 1S 2S 35 H 1S 2S 36 H 1S 2S 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 1 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|2 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|3 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|4 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|5 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|6 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|7 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|8 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|9 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|10 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|11 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|12 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|13 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|14 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|15 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|16 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|17 H 1S|2S|18 H 1S|2S|19 H 1S|2S|20 H 1S|2S|21 H 1S|2S|22 H 1S|2S|23 H 1S|2S|24 H 1S|2S|25 H 1S|2S|26 H 1S|2S|27 H 1S|2S|28 H 1S|2S|29 H 1S|2S|30 H 1S|2S|31 H 1S|2S|32 H 1S|2S|33 H 1S|2S|34 H 1S|2S|35 H 1S|2S|36 H 1S|2S 1.17440 0.81379 0.75217 0.44730 0.90158 0.91489 0.75966 -0.15235 -0.24270 0.20771 1.17440 0.81379 0.75217 0.44730 0.90158 0.91489 0.75966 -0.15236 -0.24269 0.20771 1.17431 0.81407 0.72009 0.61062 0.85778 0.91070 0.85284 0.09299 0.14980 0.03198 1.17431 0.81407 0.72009 0.61062 0.85778 0.91071 0.85284 0.09298 0.14981 0.03198 1.17436 0.81374 0.74872 0.50905 0.90574 0.91824 0.77324 -0.20673 -0.04141 0.22487 1.17436 0.81374 0.74872 0.50905 0.90574 0.91824 0.77324 -0.20673 -0.04141 0.22487 1.17434 0.81394 0.74702 0.57060 0.92327 0.93628 0.76603 0.15561 0.15026 0.25580 1.17434 0.81394 0.74702 0.57060 0.92327 0.93628 0.76603 0.15562 0.15025 0.25580 1.17428 0.81432 0.72661 0.69157 0.91128 0.90519 0.88030 0.21541 0.21499 0.16513 1.17428 0.81432 0.72661 0.69160 0.91128 0.90510 0.88041 0.21542 0.21477 0.16534 1.17428 0.81432 0.72661 0.69159 0.91128 0.90515 0.88035 0.21541 0.21489 0.16522 1.17428 0.81432 0.72661 0.69159 0.91128 0.90514 0.88036 0.21542 0.21486 0.16524 1.17437 0.81397 0.75083 0.55324 0.94051 0.91703 0.75782 0.18530 0.06383 0.25452 1.17437 0.81397 0.75083 0.55324 0.94051 0.91703 0.75782 0.18530 0.06383 0.25452 1.17440 0.81410 0.75262 0.53672 0.91550 0.93664 0.75626 0.01938 0.11339 0.25035 1.17440 0.81410 0.75262 0.53672 0.91550 0.93664 0.75626 0.01938 0.11340 0.25035 0.52226 0.27464 0.52226 0.27464 0.51808 0.25478 0.51808 0.25478 0.51197 0.27485 0.51135 0.27693 0.51072 0.26055 0.51071 0.26055 0.51134 0.27693 0.51197 0.27490 0.51197 0.27487 0.51134 0.27693 0.51072 0.26055 0.51072 0.26055 0.51134 0.27693 0.51197 0.27488 0.51908 0.26021 0.51908 0.26021 0.51653 0.25805 0.51653 0.25805 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 H H H H H H H H H H H H H H H H H H H H 0.423550 0.423551 -0.215187 -0.215187 0.180180 0.180182 -0.493163 -0.493161 -0.699081 -0.699118 -0.699099 -0.699099 -0.411413 -0.411414 -0.269364 -0.269364 0.203099 0.203099 0.227140 0.227139 0.213181 0.211725 0.228731 0.228736 0.211729 0.213127 0.213156 0.211727 0.228733 0.228733 0.211727 0.213152 0.220713 0.220713 0.225414 0.225414 0.00000 -1.56942086e-06 7.13178965e-02 7.07989379e-05 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0.0000 0.1813 0.0002 0.1813 -87.5666 -90.4963 -102.9122 0.0001 -0.0002 -0.0010 6.0918 3.1620 -9.2538 0.0001 -0.0002 -0.0010 0.0012 -32.9059 -0.0763 0.0002 -13.2466 -0.0226 0.0002 -3.2456 -0.0152 0.0010 -3292.0544 -1672.9299 -461.7392 -0.0178 -0.1054 -0.0228 0.0816 -0.1045 0.1040 -857.8535 -670.8246 -424.0395 0.0308 -0.0202 -0.0062 0 -620.8473394 4.386E-9 6.528E-5 4.5290741,2.3508938,-6.8799679,0.0000601,-0.000166,-0.0007703 C01 [X(C16H20)] -0.0000016 0.0713179 0.0000708 @ -0.000053163 -0.000150054 -0.000000544 0.000053606 -0.000150482 -0.000000042 0.000090000 0.000019269 0.000000788 -0.000089880 0.000018615 0.000000742 -0.000234255 0.000135311 0.000000639 0.000234456 0.000134880 -0.000001051 0.000166833 0.000047977 -0.000000720 -0.000166854 0.000049286 0.000000536 -0.000104564 -0.000016924 -0.000112393 -0.000104792 -0.000015680 0.000112383 0.000105114 -0.000016314 0.000111770 0.000104646 -0.000016438 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AuxInfo=1/0/N:9,10,11,12,15,16,13,14,7,8,3,4,1,2,5,6/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,13.3,14.3,15.3,16.3/rA:36C3C3CCC3C3C3C3CCCCC3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;s1;s2;s1;s2s5;s1;s2s7;s3;s3;s4;s4;s5;s6;s13;s14s15;s3;s4;s7;s8;s9;s9;s9;s10;s10;s10;s11;s11;s11;s12;s12;s12;s13;s14;s15;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2025 CBGUSER 000090375 EM64L-G09RevD.01 16-Jun-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 102 C1[X(C16H20)] RPBEPBE SDD Freq #p freq=noraman PBEPBE/SDD 192.17119999999994 0 1 AuxInfo=1/0/N:9,10,11,12,15,16,13,14,7,8,3,4,1,2,5,6/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,13.3,14.3,15.3,16.3/rA:36C3C3CCC3C3C3C3CCCCC3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;s1;s2;s1;s2s5;s1;s2s7;s3;s3;s4;s4;s5;s6;s13;s14s15;s3;s4;s7;s8;s9;s9;s9;s10;s10;s10;s11;s11;s11;s12;s12;s12;s13;s14;s15;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-14952.inp" -scrdir="/scratch/" chk=000090375-Freq.chk nprocshared=4 mem=7GB #p freq=noraman PBEPBE/SDD 1/10=4,30=1,38=1/1,3 2/12=2,17=6,18=5,40=1/2 3/5=17,6=7,11=2,16=1,25=1,30=1,71=2,74=1009,140=1/1,2,3 4//1 5/5=2,38=5,98=1/2 8/6=4,10=90,11=11/1 11/6=1,8=1,9=11,15=111,16=1/1,2,10 10/6=1/2 6/7=2,8=2,9=2,10=2,18=1,28=1/1 7/8=1,10=1,25=1/1,2,3,16 1/10=4,30=1/3 99//99 000090375 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 1 1 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 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 (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| 0.000235 0.000065 0.003846 0.001319 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -6.714536e-07 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 1053.8754387240 200 464 200 58 58 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 0 192.17119999999994 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1.553440 4.887729 3.687330 4.432818 3.108361 7.032080 7.482973 2.558540 0.000000 2.524989 3.817153 3.055853 5.115673 1.438770 2.488398 3.776598 4.273454 4.135752 4.137468 6.075736 6.075758 0.000000 3.817151 2.524992 5.115669 3.055862 2.488397 1.438770 4.273457 3.776600 6.075119 6.076371 4.136593 4.136642 2.816070 0.000000 3.807159 4.318257 4.450499 5.323210 2.479752 2.870199 4.921254 5.123047 5.478181 5.480090 6.328989 6.329016 1.394886 2.442207 0.000000 4.318255 3.807162 5.323204 4.450507 2.870197 2.479753 5.123048 4.921255 6.328152 6.329842 5.479123 5.479165 2.442207 1.394886 1.427048 0.000000 2.169026 4.958431 1.104118 6.484854 2.703920 4.160693 3.433801 4.636202 2.149131 2.149070 7.256626 7.256992 2.565751 5.081533 3.896455 4.993166 0.000000 4.958431 2.169026 6.484854 1.104119 4.160694 2.703922 4.636203 3.433801 7.256540 7.257080 2.149100 2.149102 5.081538 2.565759 4.993174 3.896465 6.831827 0.000000 2.162057 3.442776 2.706214 4.697539 3.441941 3.931609 1.096504 2.169274 2.947144 2.945427 5.101640 5.101591 4.678471 5.369764 5.907814 6.198573 3.773186 5.575718 0.000000 3.442773 2.162057 4.697539 2.706212 3.931607 3.441941 2.169272 1.096504 5.102060 5.101172 2.946331 2.946236 5.369761 4.678475 6.198573 5.907817 5.575716 3.773186 2.466644 0.000000 2.844948 5.148722 2.208411 6.534615 4.157432 5.152396 2.868897 4.149531 1.105447 2.835344 7.248950 6.761683 4.891859 6.461502 6.235346 6.921723 3.084545 7.262560 2.367035 4.605673 0.000000 3.512856 6.264285 2.199902 7.751903 4.588070 5.880602 4.135042 5.498006 1.106155 2.792788 8.532884 8.138135 4.806669 7.009712 6.130420 7.125576 2.475832 8.323515 3.864454 6.142946 1.786765 0.000000 2.796688 5.125572 2.207032 6.539578 3.618178 4.729851 3.418294 4.548581 1.104866 3.526330 7.551406 6.768171 3.968823 5.797043 5.188472 5.997324 2.513272 7.044583 3.474037 5.263795 1.785510 1.792777 0.000000 2.796731 5.125681 2.207021 6.539610 3.619885 4.731193 3.416802 4.547492 3.526337 1.104865 6.767802 7.550902 3.971914 5.799175 5.191957 6.000341 2.513320 7.045313 3.471279 5.262017 3.855650 3.805298 4.383083 0.000000 3.512915 6.264436 2.199860 7.752037 4.588786 5.881219 4.134517 5.497670 2.792914 1.106154 8.138345 8.532564 4.807946 7.010663 6.131903 7.126886 2.475605 8.323938 3.863308 6.142313 3.168965 2.570386 3.805289 1.792775 0.000000 2.845309 5.149286 2.208451 6.535157 4.158664 5.153568 2.868290 4.149322 2.835211 1.105447 6.762696 7.248497 4.893589 6.463062 6.237333 6.923628 3.084529 7.263495 2.365021 4.604964 2.664325 3.168481 3.855646 1.785520 1.786727 0.000000 5.148981 2.845126 6.534885 2.208432 5.152960 4.158031 4.149434 2.868616 7.249118 6.762079 1.105447 2.835285 6.462265 4.892706 6.922660 6.236323 7.262827 3.084539 4.605339 2.366085 6.867233 8.279557 7.416209 6.580705 7.854718 6.329077 0.000000 6.264348 3.512886 7.751976 2.199880 5.880900 4.588420 5.497847 4.134795 8.532879 8.138340 1.106154 2.792847 7.010184 4.807300 7.126230 6.131158 8.323566 2.475722 6.142646 3.863911 8.279400 9.595097 8.549493 7.862657 9.244371 7.855250 1.786747 0.000000 5.125610 2.796715 6.539614 2.207025 4.730499 3.619009 4.548069 3.417593 7.551362 6.768311 1.104865 3.526332 5.798095 3.970331 5.998814 5.190183 7.044630 2.513290 5.262955 3.472733 7.415997 8.549465 7.707819 6.340168 7.863105 6.582194 1.785513 1.792775 0.000000 5.125626 2.796694 6.539558 2.207027 4.730535 3.619050 4.547988 3.417486 6.767646 7.550932 3.526333 1.104866 5.798121 3.970419 5.998858 5.190261 7.045251 2.513308 5.262840 3.472567 6.580369 7.862508 6.340066 7.707561 8.549065 7.415215 3.855648 3.805298 4.383082 0.000000 6.264369 3.512883 7.751963 2.199882 5.880918 4.588435 5.497829 4.134765 8.138140 8.532573 2.792864 1.106154 7.010192 4.807325 7.126237 6.131175 8.323883 2.475710 6.142616 3.863856 7.854300 9.244164 7.862969 8.549055 9.594837 8.279086 3.168754 2.570397 3.805301 1.792775 0.000000 5.149032 2.845138 6.534895 2.208430 5.153013 4.158076 4.149423 2.868576 6.762312 7.248337 2.835263 1.105447 6.462311 4.892763 6.922708 6.236378 7.263235 3.084537 4.605303 2.365972 6.328511 7.854842 6.581886 7.415025 8.278932 6.866265 2.664319 3.168697 3.855639 1.785515 1.786746 0.000000 2.757141 4.707521 2.686237 6.092488 2.193566 3.483499 4.144920 4.928087 3.723659 3.725542 7.003838 7.003848 1.093719 3.909561 2.144067 3.425838 1.863473 6.136070 4.869540 6.004393 4.638541 4.177000 3.638943 3.642361 4.178448 4.640257 7.292875 7.981311 6.706204 6.706204 7.981309 7.292910 0.000000 4.707521 2.757147 6.092485 2.686250 3.483498 2.193567 4.928091 4.144924 7.003279 7.004405 3.724584 3.724642 3.909560 1.093718 3.425837 2.144065 6.136065 1.863485 6.004398 4.869547 7.292149 7.980877 6.705273 6.707142 7.981746 7.293628 4.639385 4.177717 3.640608 3.640721 4.177749 4.639442 5.002874 0.000000 4.687022 5.413910 5.076653 6.391608 3.469129 3.965848 5.895867 6.192311 6.060926 6.063055 7.381727 7.381750 2.163441 3.432992 1.095655 2.191098 4.329854 5.998705 6.833739 7.274844 6.926431 6.566748 5.747871 5.751806 6.568456 6.928575 7.997355 8.152103 7.004043 7.004080 8.152105 7.997398 2.466483 4.325021 0.000000 5.413907 4.687025 6.391601 5.076662 3.965846 3.469129 6.192312 5.895867 7.380830 7.382634 6.061978 6.062022 3.432992 2.163440 2.191098 1.095655 5.998697 4.329864 7.274844 6.833741 7.996350 8.151387 7.002441 7.005672 8.152814 7.998384 6.927487 6.567599 5.749804 5.749893 6.567617 6.927542 4.325022 2.466480 2.523005 0.000000 C16H20 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 0 192.17119999999994 AuxInfo=1/0/N:9,10,11,12,15,16,13,14,7,8,3,4,1,2,5,6/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,13.3,14.3,15.3,16.3/rA:36C3C3CCC3C3C3C3CCCCC3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;s1;s2;s1;s2s5;s1;s2s7;s3;s3;s4;s4;s5;s6;s13;s14s15;s3;s4;s7;s8;s9;s9;s9;s10;s10;s10;s11;s11;s11;s12;s12;s12;s13;s14;s15;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.6943424 0.3996733 0.2857061 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= 9316 NPrTT= 46756 LenC2= 8655 LenP2D= 28529. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 200 RedAO= T EigKep= 2.43D-04 NBF= 200 NBsUse= 200 1.00D-06 EigRej= -1.00D+00 NBFU= 200 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= 196 196 196 196 196 MxSgAt= 36 MxSgA2= 36. 1 Closed 1 0 1 -620.521111032775 -620.639198219309 -0.118087186534 -620.842819814897 -0.203621595588 -620.841406113980 0.001413700917 -620.846883983628 -0.005477869648 -620.847318694601 -0.000434710973 -620.847326833745 -0.000008139144 -620.847329142953 -0.000002309209 -620.847338953707 -0.000009810754 -620.847339205755 -0.000000252048 -620.847339194910 0.000000010845 -620.847339422943 -0.000000228033 -620.847339425181 -0.000000002238 -620.847339425401 -0.000000000221 -620.847339425437 -0.000000000035 -620.847339425428 0.000000000008 -620.847339425 16 6.173944137138e+02 -3.547109916889e+03 1.254992725026e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep J ints in memory in canonical form, NReq=206216608. IVT= 141358 IEndB= 141358 NGot= 939524096 MDV= 737367689 LenX= 737367689 LenY= 737327248 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= 20100 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= 939523532 using IRadAn= 2. Generate precomputed XC quadrature information. Keep J ints in memory in canonical form, NReq=206085722. 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= 20100 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= 8.24D-15 1.00D-09 XBig12= 5.26D+02 1.49D+01. AX will form 108 AO Fock derivatives at one time. 108 vectors produced by pass 1 Test12= 8.24D-15 1.00D-09 XBig12= 1.37D+02 2.83D+00. 108 vectors produced by pass 2 Test12= 8.24D-15 1.00D-09 XBig12= 4.54D-01 9.36D-02. 108 vectors produced by pass 3 Test12= 8.24D-15 1.00D-09 XBig12= 9.85D-05 1.30D-03. 54 vectors produced by pass 4 Test12= 8.24D-15 1.00D-09 XBig12= 1.62D-08 1.71D-05. 6 vectors produced by pass 5 Test12= 8.24D-15 1.00D-09 XBig12= 1.63D-12 1.25D-07. 2 vectors produced by pass 6 Test12= 8.24D-15 1.00D-09 XBig12= 1.03D-15 3.72D-09. InvSVY: IOpt=1 It= 1 EMax= 4.97D-14 Solved reduced A of dimension 494 with 111 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 176.41 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 212.291 0.000 209.733 -0.003 0.014 107.214 379.247 0.000 447.914 0.002 0.030 162.264 (Enter /mnt/data/applications/G09/g09/l716.exe) PT2430.500S 2017-06-16T20:59:57.000+02:00 -9.91220 -9.91200 -9.90558 -9.90556 -9.90548 -9.90546 -9.90136 -9.90110 -9.89976 -9.89974 -9.89468 -9.89440 -9.88080 -9.88079 -9.88079 -9.88078 -0.78995 -0.74560 -0.73752 -0.70078 -0.67685 -0.66427 -0.63418 -0.61050 -0.61047 -0.56608 -0.55035 -0.54819 -0.51695 -0.48465 -0.45949 -0.44807 -0.42987 -0.40233 -0.40162 -0.38992 -0.37423 -0.37018 -0.36782 -0.36067 -0.35967 -0.35142 -0.34887 -0.33741 -0.33456 -0.32752 -0.31468 -0.30317 -0.29712 -0.29709 -0.29661 -0.28414 -0.27459 -0.27051 -0.26420 -0.24029 -0.21543 -0.18087 -0.06318 -0.03551 -0.00255 0.05231 0.08612 0.09148 0.09448 0.10671 0.10689 0.11068 0.11819 0.12867 0.13189 0.13208 0.14224 0.14979 0.15000 0.15147 0.16315 0.16728 0.17379 0.17575 0.18695 0.18888 0.19092 0.19191 0.19773 0.20932 0.21378 0.21911 0.22223 0.22436 0.22822 0.23243 0.24547 0.25919 0.27371 0.28131 0.28176 0.28217 0.28283 0.28652 0.28818 0.31970 0.32526 0.33169 0.33278 0.33887 0.34179 0.34358 0.35504 0.36550 0.36581 0.36834 0.37572 0.39236 0.40833 0.40875 0.41231 0.42141 0.42471 0.42718 0.42807 0.43046 0.43376 0.44337 0.45239 0.46541 0.48760 0.50187 0.50707 0.51358 0.51584 0.52087 0.54201 0.55893 0.58483 0.59652 0.60362 0.60834 0.64003 0.65141 0.65222 0.66128 0.70537 0.73247 0.78422 0.78579 0.82501 0.82986 0.89446 0.91720 0.94518 0.94821 0.95081 0.96191 0.96339 0.97047 0.97700 1.00659 1.00686 1.04622 1.06434 1.06658 1.09751 1.10117 1.10797 1.11556 1.12713 1.13366 1.13848 1.14184 1.19907 1.21185 1.22506 1.23041 1.25089 1.25094 1.25401 1.26149 1.31743 1.34021 1.41982 1.42351 1.48384 1.51740 22.31590 22.49170 22.56193 22.57943 22.58174 22.62185 22.62439 22.63080 22.66291 22.67657 22.68277 22.70468 22.74011 22.75024 22.78540 22.82285 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 H H H H H H H H H H H H H H H H H H H H 0.423551 0.423551 -0.215187 -0.215186 0.180180 0.180182 -0.493162 -0.493162 -0.699081 -0.699118 -0.699100 -0.699099 -0.411413 -0.411414 -0.269364 -0.269364 0.203099 0.203098 0.227139 0.227139 0.213181 0.211725 0.228731 0.228736 0.211729 0.213127 0.213156 0.211727 0.228733 0.228733 0.211727 0.213152 0.220712 0.220713 0.225414 0.225414 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 C C C C C C C C C C C C C C C C 0.423551 0.423551 -0.012088 -0.012088 0.180180 0.180182 -0.266023 -0.266022 -0.045443 -0.045526 -0.045483 -0.045487 -0.190701 -0.190701 -0.043951 -0.043950 0.00000 -2.98136013e-07 -7.13194199e-02 7.04652267e-05 2.12290993e+02 -4.31257571e-05 2.09733116e+02 -3.37719509e-03 1.43719611e-02 1.07214167e+02 -31.9084 -28.1574 -13.1853 -5.1583 -0.0005 0.0003 0.0007 9.7596 53.8188 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 -30.8378 -26.9306 53.4423 95.6037 156.0113 171.8435 182.8467 205.7509 213.2897 215.7473 234.5659 238.2568 249.2350 290.5947 290.7920 394.4802 426.2200 431.1351 431.7910 468.3751 473.4795 485.7851 567.1803 582.3737 637.5940 663.5053 683.1328 687.9112 772.2395 784.8593 798.4837 850.7427 857.6431 875.6351 883.2128 913.1042 913.3472 951.2130 952.4063 957.7434 963.7869 968.9795 986.6053 1013.2976 1037.7194 1048.3764 1071.7385 1113.5777 1113.8851 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