Gaussian 09 GINC-KIMIK2069 CBGUSER 000238471 EM64L-G09RevD.01 11-Jan-2018 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm 248.19469999999984 0 1 AuxInfo=1/0/N:11,12,20,18,19,15,17,13,14,10,5,16,6,9,4,7,8,3,2,1/E:(1,2)(4,5)(8,9)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,12.3,14.3,16.3,17.3,18.2,20.1/rA:40O1NN2CCCC3C3C3C3CCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;;s4;s2s5;s3s4;s1s4;s8;s7;s2;s2;s9;s9;s10;s3;s15s16;s13;s14;s18s19;s4;s5;s5;s6;s6;s10;s11;s11;s11;s12;s12;s12;s13;s14;s15;s16;s17;s18;s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-5674.inp" -scrdir="/scratch/" chk=000238471.chk nprocshared=4 mem=3GB #p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInp 1/7=-1,11=1,14=-1,18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,15=1,17=6,18=5,40=1/2 3/5=17,6=7,11=2,16=1,24=10,25=1,30=1,71=1,74=1009/1,2,3 4//1 5/5=2,38=5/2 6/7=3,28=1,40=-1,79=1/1,7 7/30=1/1,2,3,16 1/7=-1,11=1,14=-1,18=20,19=15,26=3/3(2) 2/9=110,15=1/2 99//99 2/9=110,15=1/2 3/5=17,6=7,11=2,16=1,25=1,30=1,71=1,74=1009/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7/30=1/1,2,3,16 1/7=-1,11=1,14=-1,18=20,19=15,26=3/3(-5) 2/9=110,15=1/2 6/7=3,19=2,28=1,40=-1,79=1/1,7 99/9=1/99 000238471 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 16 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 (Enter /mnt/data/applications/G09/g09/l101.exe) Initialization pass. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 1 2 2 2 3 3 4 4 4 4 5 5 5 6 6 7 8 9 9 10 10 11 11 11 12 12 12 13 13 14 14 15 15 16 16 17 18 18 19 19 20 8 6 11 12 7 16 5 7 8 21 6 22 23 24 25 10 9 13 14 15 26 27 28 29 30 31 32 18 33 19 34 17 35 17 36 37 20 38 20 39 40 1.2053 1.5015 1.4945 1.4932 1.3631 1.358 1.5399 1.5119 1.5385 1.1216 1.5363 1.1097 1.1126 1.111 1.1119 1.41 1.5007 1.4001 1.4001 1.3962 1.0865 1.1015 1.0992 1.1022 1.1016 1.0992 1.1029 1.3979 1.0886 1.3982 1.0922 1.3983 1.0902 1.4038 1.0966 1.0864 1.3992 1.0885 1.3986 1.0887 1.089 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 6 6 11 7 5 5 5 7 7 8 4 4 4 6 6 22 2 2 2 5 5 24 3 3 4 1 1 4 8 8 13 7 7 15 2 2 2 27 27 28 2 2 2 30 30 31 9 9 18 9 9 19 10 10 17 3 3 17 15 15 16 13 13 20 14 14 20 18 18 19 2 2 2 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 11 12 12 16 7 8 21 8 21 21 6 22 23 22 23 23 5 24 25 24 25 25 4 10 10 4 9 9 13 14 14 15 26 26 27 28 29 28 29 29 30 31 32 31 32 32 18 33 33 19 34 34 17 35 35 17 36 36 16 37 37 20 38 38 20 39 39 19 40 40 110.1393 111.276 110.0411 118.3517 110.5875 110.0843 108.9457 110.9911 109.3807 106.7529 112.121 109.4963 109.4047 110.8607 109.9204 104.7742 109.1212 113.2049 107.9796 110.2194 109.5521 106.6714 117.1439 122.0562 120.7927 122.6642 122.5501 114.7454 120.2535 119.2557 120.4814 118.7717 120.6178 120.6105 109.0161 115.0745 108.8349 108.613 106.7907 108.1991 108.9541 115.0149 109.0284 108.4585 106.8257 108.2535 119.6181 120.4125 119.9656 119.6317 119.7977 120.57 119.5989 120.168 120.2331 122.7869 115.7875 121.4256 118.4336 120.9602 120.6059 120.0829 119.9103 120.0066 120.0684 119.8524 120.0787 120.1159 119.9206 119.9633 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 11 11 11 12 12 12 6 6 6 12 12 12 6 6 6 11 11 11 16 16 7 7 7 7 7 8 8 8 21 21 21 5 5 8 8 21 21 5 5 7 7 21 21 4 4 4 22 22 22 23 23 23 3 3 4 4 1 1 4 4 8 8 14 14 8 8 13 13 7 7 26 26 9 9 33 33 9 9 34 34 10 10 35 35 3 3 36 36 13 13 38 38 14 14 39 39 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 4 4 4 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 5 7 7 7 7 8 8 8 8 9 9 9 9 9 9 9 9 10 10 10 10 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 18 18 18 18 19 19 19 19 6 6 6 6 6 6 11 11 11 11 11 11 12 12 12 12 12 12 7 7 16 16 5 5 5 5 5 5 5 5 5 7 7 7 7 7 7 8 8 8 8 8 8 6 6 6 6 6 6 6 6 6 10 10 10 10 9 9 9 9 13 13 13 13 14 14 14 14 15 15 15 15 18 18 18 18 19 19 19 19 17 17 17 17 17 17 17 17 20 20 20 20 20 20 20 20 5 24 25 5 24 25 27 28 29 27 28 29 30 31 32 30 31 32 4 10 17 36 6 22 23 6 22 23 6 22 23 3 10 3 10 3 10 1 9 1 9 1 9 2 24 25 2 24 25 2 24 25 15 26 15 26 13 14 13 14 18 33 18 33 19 34 19 34 17 35 17 35 20 38 20 38 20 39 20 39 16 37 16 37 15 37 15 37 19 40 19 40 18 40 18 40 -165.0281 71.8362 -46.0219 72.6611 -50.4746 -168.3328 61.7922 -60.4825 177.9215 -175.1709 62.5544 -59.0416 -177.2979 60.7186 -61.0543 60.3344 -61.6491 176.5781 -178.7415 0.2912 -0.0394 179.9402 65.5405 -57.9423 -172.243 -171.4499 65.0674 -49.2333 -54.7063 -178.189 67.5103 80.1704 -98.8753 -42.3111 138.6433 -159.8435 21.1109 1.9726 179.7172 124.7454 -57.5101 -116.1318 61.6127 166.8366 -68.2661 48.8139 -70.4499 54.4474 171.5274 44.9141 169.8115 -73.1086 -0.2693 179.6209 178.7287 -1.3812 105.6705 -73.2163 -72.0769 109.0363 -179.0679 0.2225 -0.1949 179.0955 179.3262 -0.9525 0.442 -179.8367 -0.0077 179.9355 -179.8978 0.0453 -0.1313 179.6913 -179.4249 0.3977 -0.3634 179.9105 179.9175 0.1914 0.2427 -179.9348 -179.7005 0.122 -0.2266 179.9503 179.7949 -0.0283 0.2086 -179.973 -179.6138 0.2046 0.0403 -179.7779 179.7658 -0.0525 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 217 240 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 40 40 40 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= 12880 NPrTT= 65460 LenC2= 11454 LenP2D= 36613. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 240 RedAO= T EigKep= 9.75D-04 NBF= 240 NBsUse= 240 1.00D-06 EigRej= -1.00D+00 NBFU= 240 Using GEDIIS/GDIIS optimizer. local minimum Step number 12 out of a maximum of 217 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00182 0.00237 0.00252 0.00319 0.00404 0.00450 0.00520 0.00675 0.01463 0.01690 0.01947 0.02034 0.02056 0.02075 0.02094 0.02097 0.02100 0.02104 0.02106 0.02110 0.02116 0.02125 0.02127 0.02129 0.02188 0.02258 0.03136 0.03452 0.04229 0.04477 0.04707 0.05119 0.05389 0.06457 0.06821 0.06878 0.07142 0.07294 0.08299 0.09276 0.12096 0.12771 0.15566 0.15895 0.15973 0.15982 0.16000 0.16000 0.16000 0.16000 0.16001 0.16009 0.16012 0.16035 0.16050 0.16092 0.16104 0.17389 0.18101 0.18772 0.19115 0.21962 0.21987 0.22004 0.22333 0.22483 0.23598 0.23645 0.23816 0.24591 0.25068 0.25726 0.26743 0.28767 0.29141 0.29661 0.30944 0.31496 0.32247 0.32373 0.32405 0.32553 0.32680 0.33156 0.33324 0.33405 0.33498 0.33548 0.33586 0.33765 0.34060 0.34284 0.34575 0.34797 0.34920 0.34941 0.34969 0.35015 0.35234 0.35263 0.39219 0.41085 0.41711 0.42489 0.43927 0.44607 0.45750 0.45841 0.45874 0.46800 0.46828 0.50907 0.52349 0.87792 RFO step: Lambda=-3.76623357D-08. 1 2 0.00138141 0.00000094 0.00000059 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 R40 R41 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 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 2.38456 2.80366 2.79088 2.79314 2.58931 2.57570 2.93287 2.88838 2.93459 2.09858 2.91230 2.08585 2.08803 2.12161 2.09693 2.68033 2.84531 2.68455 2.68617 2.66812 2.07085 2.08843 2.11897 2.08789 2.08748 2.11838 2.08296 2.66730 2.06790 2.66112 2.06900 2.67198 2.06996 2.67186 2.07179 2.06825 2.67222 2.07029 2.67642 2.07022 2.07093 1.94682 1.97687 1.94787 2.06340 1.94504 1.92276 1.89736 1.92950 1.88533 1.88207 1.96708 1.87662 1.90165 1.94878 1.89889 1.86779 1.96546 1.94336 1.86739 1.91745 1.90313 1.86315 2.02227 2.12810 2.13245 2.10304 2.09767 2.08232 2.14926 2.05770 2.07594 2.08214 2.09461 2.10641 1.91509 1.98086 1.91387 1.88411 1.88498 1.88229 1.90739 1.97308 1.92620 1.88647 1.88078 1.88731 2.10203 2.10343 2.07770 2.10574 2.05896 2.11849 2.07566 2.10216 2.10536 2.15413 2.02020 2.10885 2.06293 2.11906 2.10120 2.09691 2.09233 2.09395 2.09461 2.09416 2.09442 2.09110 2.09544 2.09664 -2.96510 1.15540 -0.87434 1.10297 -1.05971 -3.08945 0.99437 -1.11498 3.06206 -3.05803 1.11581 -0.99033 -3.13068 1.05079 -1.06538 0.93795 -1.16377 3.00325 -3.11516 -0.00165 0.00156 -3.13782 1.10328 -1.05182 -3.07037 -3.03147 1.09661 -0.92194 -0.97267 -3.12778 1.13687 1.30800 -1.80543 -0.83657 2.33318 -2.89207 0.27769 -0.09411 3.02822 2.06338 -1.09747 -2.16231 0.96002 2.93204 -1.17418 0.86209 -1.23664 0.94031 2.97659 0.82093 2.99789 -1.24903 -0.00050 -3.13456 3.11124 -0.02283 2.92228 -0.19314 -0.20011 2.96766 -3.11446 0.02010 0.00069 3.13526 3.12284 -0.01788 0.00630 -3.13442 0.00275 -3.13800 3.13676 -0.00399 -0.00649 3.13472 -3.14116 0.00005 -0.00748 3.13554 3.13321 -0.00696 -0.00282 3.13823 3.13792 -0.00421 0.00069 -3.14037 3.13996 -0.00111 0.00534 -3.13794 -3.13587 0.00403 0.00162 -3.13829 -3.14140 0.00188 0.00000 -0.00002 -0.00001 -0.00003 -0.00001 0.00000 0.00002 -0.00004 0.00001 0.00002 0.00000 0.00001 0.00000 -0.00001 0.00000 0.00000 -0.00004 -0.00001 0.00002 0.00001 0.00000 0.00001 -0.00002 0.00001 0.00001 -0.00002 0.00001 -0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00001 0.00000 0.00001 0.00000 0.00000 -0.00001 0.00000 0.00002 0.00001 -0.00002 0.00001 -0.00001 0.00002 0.00001 -0.00001 0.00000 0.00001 -0.00001 -0.00002 0.00001 -0.00001 -0.00001 0.00001 0.00000 -0.00001 0.00001 0.00000 -0.00001 0.00000 0.00001 0.00001 0.00002 -0.00003 -0.00003 0.00003 0.00000 -0.00001 0.00001 0.00000 0.00000 0.00001 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00001 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00001 0.00001 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00001 0.00001 -0.00001 0.00000 -0.00001 0.00000 0.00000 -0.00001 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 -0.00002 -0.00001 -0.00001 0.00000 0.00001 0.00002 -0.00001 0.00000 0.00000 0.00001 0.00001 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 0.00001 -0.00001 0.00000 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 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00008 0.00008 0.00006 0.00000 -0.00004 0.00002 0.00003 -0.00002 0.00000 0.00003 0.00004 0.00003 0.00001 -0.00006 0.00001 0.00002 -0.00001 -0.00002 0.00003 0.00000 -0.00001 0.00001 -0.00007 0.00002 0.00002 -0.00009 0.00003 -0.00001 0.00002 0.00002 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00002 0.00000 0.00001 -0.00001 0.00000 0.00001 -0.00001 -0.00003 0.00002 0.00000 0.00004 -0.00018 0.00015 0.00002 -0.00003 0.00010 0.00011 -0.00003 -0.00006 0.00005 -0.00020 -0.00005 0.00003 0.00000 -0.00001 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0.00012 -0.00002 -0.00003 0.00003 0.00003 0.00002 0.00009 -0.00002 0.00004 -0.00006 -0.00007 -0.00004 -0.00005 0.00000 0.00000 0.00000 0.00000 0.00002 0.00002 0.00000 0.00000 0.00005 0.00001 -0.00001 -0.00005 -0.00003 0.00001 -0.00003 0.00001 0.00007 -0.00011 -0.00007 -0.00005 0.00001 0.00001 0.00005 -0.00012 0.00000 0.00005 -0.00003 0.00002 0.00001 0.00002 0.00000 -0.00001 -0.00010 0.00000 0.00000 -0.00001 0.00000 0.00002 0.00001 -0.00001 0.00000 0.00002 0.00001 -0.00001 0.00000 -0.00002 0.00001 0.00000 0.00000 -0.00001 -0.00001 0.00001 -0.00001 0.00000 0.00000 0.00000 0.00001 -0.00004 0.00007 0.00018 0.00000 0.00002 0.00001 -0.00015 0.00013 0.00007 -0.00009 0.00005 0.00007 -0.00007 -0.00009 0.00005 -0.00002 0.00001 0.00000 -0.00003 -0.00005 0.00008 0.00001 -0.00005 0.00000 0.00004 0.00002 -0.00001 -0.00001 -0.00007 0.00007 0.00000 -0.00001 0.00001 0.00000 0.00003 0.00002 -0.00001 -0.00001 -0.00003 0.00001 0.00001 0.00008 0.00002 -0.00003 -0.00006 -0.00003 0.00000 -0.00005 0.00005 -0.00001 -0.00002 0.00003 0.00001 0.00000 -0.00001 -0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 -0.00001 0.00003 -0.00002 0.00000 0.00000 0.00000 0.00001 -0.00003 0.00002 -0.00010 -0.00003 -0.00001 -0.00037 -0.00030 -0.00028 -0.00028 -0.00029 -0.00031 -0.00007 -0.00009 -0.00010 -0.00017 -0.00020 -0.00023 -0.00033 -0.00035 -0.00038 0.00021 -0.00002 -0.00015 0.00021 -0.00024 -0.00022 -0.00020 -0.00006 -0.00003 -0.00001 -0.00025 -0.00022 -0.00020 0.00072 0.00096 0.00061 0.00084 0.00059 0.00083 0.00056 0.00031 0.00068 0.00042 0.00079 0.00053 -0.00056 -0.00061 -0.00058 -0.00049 -0.00054 -0.00051 -0.00054 -0.00058 -0.00056 0.00012 0.00007 -0.00013 -0.00018 0.00027 0.00001 0.00053 0.00026 -0.00003 0.00004 0.00024 0.00030 -0.00003 0.00012 -0.00028 -0.00013 -0.00004 -0.00007 0.00001 -0.00003 -0.00004 -0.00011 -0.00011 -0.00017 0.00012 0.00009 -0.00003 -0.00006 -0.00012 -0.00009 -0.00009 -0.00006 0.00023 0.00020 -0.00015 -0.00018 -0.00012 -0.00003 -0.00005 0.00004 0.00008 -0.00002 0.00011 0.00001 -0.00001 -0.00004 -0.00002 -0.00005 -0.00003 0.00003 0.00007 -0.00014 -0.00001 0.00008 0.00001 0.00006 0.00001 -0.00005 0.00001 0.00001 -0.00011 -0.00002 0.00003 0.00000 -0.00001 0.00003 -0.00006 0.00002 0.00001 -0.00007 0.00003 -0.00002 0.00002 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00001 0.00000 0.00001 -0.00001 0.00001 -0.00003 0.00006 0.00015 0.00002 0.00001 0.00005 -0.00033 0.00028 0.00009 -0.00011 0.00015 0.00019 -0.00010 -0.00015 0.00010 -0.00022 -0.00004 0.00003 -0.00003 -0.00006 0.00011 0.00001 -0.00004 0.00002 0.00001 -0.00001 0.00006 -0.00005 -0.00007 0.00008 0.00000 -0.00004 0.00002 0.00002 -0.00001 0.00008 -0.00001 0.00000 -0.00010 0.00003 -0.00003 0.00014 -0.00002 0.00000 -0.00009 -0.00001 0.00001 -0.00006 0.00005 0.00001 -0.00004 0.00003 0.00002 0.00001 -0.00003 -0.00004 -0.00001 0.00004 0.00001 0.00000 -0.00001 -0.00001 0.00003 -0.00002 -0.00002 0.00001 0.00001 0.00001 -0.00004 0.00002 -0.00037 -0.00027 -0.00028 -0.00060 -0.00051 -0.00051 -0.00005 -0.00010 -0.00018 0.00013 0.00008 0.00000 -0.00027 -0.00034 -0.00042 -0.00041 -0.00048 -0.00055 0.00021 -0.00004 -0.00016 0.00022 -0.00042 -0.00047 -0.00026 -0.00002 -0.00007 0.00014 -0.00033 -0.00037 -0.00017 0.00170 0.00195 0.00143 0.00168 0.00136 0.00161 0.00079 0.00056 0.00103 0.00080 0.00123 0.00100 -0.00083 -0.00087 -0.00083 -0.00058 -0.00062 -0.00058 -0.00087 -0.00091 -0.00087 0.00015 0.00005 -0.00012 -0.00022 -0.00003 -0.00005 0.00020 0.00018 0.00010 0.00022 0.00012 0.00024 -0.00013 0.00001 -0.00015 -0.00001 -0.00006 -0.00010 0.00004 0.00000 -0.00002 -0.00002 -0.00013 -0.00014 0.00006 0.00003 -0.00008 -0.00011 -0.00012 -0.00010 -0.00009 -0.00006 0.00025 0.00022 -0.00015 -0.00018 -0.00007 -0.00001 -0.00006 -0.00001 0.00004 -0.00001 0.00008 0.00002 2.38454 2.80363 2.79086 2.79309 2.58928 2.57572 2.93294 2.88824 2.93458 2.09866 2.91231 2.08591 2.08805 2.12156 2.09694 2.68034 2.84520 2.68453 2.68619 2.66812 2.07084 2.08846 2.11891 2.08790 2.08749 2.11831 2.08299 2.66728 2.06792 2.66111 2.06901 2.67198 2.06996 2.67186 2.07178 2.06825 2.67223 2.07029 2.67644 2.07021 2.07094 1.94679 1.97693 1.94802 2.06342 1.94506 1.92281 1.89703 1.92978 1.88542 1.88196 1.96723 1.87681 1.90155 1.94863 1.89899 1.86758 1.96541 1.94339 1.86736 1.91739 1.90324 1.86316 2.02224 2.12812 2.13247 2.10303 2.09772 2.08227 2.14918 2.05778 2.07594 2.08211 2.09463 2.10643 1.91508 1.98094 1.91385 1.88411 1.88488 1.88232 1.90735 1.97322 1.92618 1.88647 1.88069 1.88731 2.10204 2.10338 2.07775 2.10575 2.05892 2.11852 2.07569 2.10217 2.10533 2.15409 2.02020 2.10889 2.06294 2.11906 2.10119 2.09690 2.09235 2.09393 2.09459 2.09417 2.09443 2.09112 2.09540 2.09667 -2.96546 1.15513 -0.87462 1.10238 -1.06022 -3.08997 0.99431 -1.11508 3.06188 -3.05790 1.11589 -0.99033 -3.13095 1.05046 -1.06579 0.93754 -1.16424 3.00270 -3.11494 -0.00169 0.00139 -3.13760 1.10286 -1.05229 -3.07063 -3.03149 1.09654 -0.92180 -0.97300 -3.12815 1.13670 1.30970 -1.80347 -0.83514 2.33487 -2.89071 0.27930 -0.09332 3.02878 2.06441 -1.09667 -2.16109 0.96102 2.93121 -1.17506 0.86126 -1.23723 0.93969 2.97600 0.82006 2.99697 -1.24990 -0.00034 -3.13451 3.11112 -0.02304 2.92224 -0.19319 -0.19992 2.96784 -3.11436 0.02032 0.00081 3.13549 3.12272 -0.01787 0.00616 -3.13443 0.00268 -3.13810 3.13680 -0.00399 -0.00651 3.13470 -3.14129 -0.00008 -0.00741 3.13556 3.13314 -0.00707 -0.00295 3.13814 3.13783 -0.00427 0.00094 -3.14015 3.13980 -0.00129 0.00527 -3.13796 -3.13593 0.00403 0.00166 -3.13830 -3.14132 0.00191 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000041 0.000009 0.007900 0.001381 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -7.770999e-08 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 1 2 2 2 3 3 4 4 4 4 5 5 5 6 6 7 8 9 9 10 10 11 11 11 12 12 12 13 13 14 14 15 15 16 16 17 18 18 19 19 20 8 6 11 12 7 16 5 7 8 21 6 22 23 24 25 10 9 13 14 15 26 27 28 29 30 31 32 18 33 19 34 17 35 17 36 37 20 38 20 39 40 1.2619 1.4836 1.4769 1.4781 1.3702 1.363 1.552 1.5285 1.5529 1.1105 1.5411 1.1038 1.1049 1.1227 1.1096 1.4184 1.5057 1.4206 1.4215 1.4119 1.0958 1.1052 1.1213 1.1049 1.1046 1.121 1.1023 1.4115 1.0943 1.4082 1.0949 1.4139 1.0954 1.4139 1.0963 1.0945 1.4141 1.0956 1.4163 1.0955 1.0959 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 6 6 11 7 5 5 5 7 7 8 4 4 4 6 6 22 2 2 2 5 5 24 3 3 4 1 1 4 8 8 13 7 7 15 2 2 2 27 27 28 2 2 2 30 30 31 9 9 18 9 9 19 10 10 17 3 3 17 15 15 16 13 13 20 14 14 20 18 18 19 2 2 2 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 11 12 12 16 7 8 21 8 21 21 6 22 23 22 23 23 5 24 25 24 25 25 4 10 10 4 9 9 13 14 14 15 26 26 27 28 29 28 29 29 30 31 32 31 32 32 18 33 33 19 34 34 17 35 35 17 36 36 16 37 37 20 38 38 20 39 39 19 40 40 111.5444 113.2662 111.6048 118.224 111.4428 110.166 108.7105 110.5524 108.0214 107.8348 112.7052 107.5227 108.9564 111.6567 108.7985 107.0166 112.6124 111.3463 106.9938 109.8618 109.0414 106.7505 115.8678 121.9312 122.1807 120.4952 120.1874 119.3082 123.1433 117.8976 118.9426 119.2981 120.0122 120.6883 109.7264 113.4947 109.6564 107.9513 108.0015 107.8472 109.2851 113.049 110.3632 108.0867 107.7609 108.1351 120.4377 120.5179 119.0432 120.6501 117.9696 121.3803 118.9268 120.4446 120.6285 123.4226 115.7491 120.8282 118.1971 121.4133 120.3896 120.144 119.8816 119.9745 120.0122 119.9864 120.0014 119.8113 120.0597 120.1289 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 11 11 11 12 12 12 6 6 6 12 12 12 6 6 6 11 11 11 16 16 7 7 7 7 7 8 8 8 21 21 21 5 5 8 8 21 21 5 5 7 7 21 21 4 4 4 22 22 22 23 23 23 3 3 4 4 1 1 4 4 8 8 14 14 8 8 13 13 7 7 26 26 9 9 33 33 9 9 34 34 10 10 35 35 3 3 36 36 13 13 38 38 14 14 39 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 4 4 4 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 5 7 7 7 7 8 8 8 8 9 9 9 9 9 9 9 9 10 10 10 10 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 18 18 18 18 19 19 19 6 6 6 6 6 6 11 11 11 11 11 11 12 12 12 12 12 12 7 7 16 16 5 5 5 5 5 5 5 5 5 7 7 7 7 7 7 8 8 8 8 8 8 6 6 6 6 6 6 6 6 6 10 10 10 10 9 9 9 9 13 13 13 13 14 14 14 14 15 15 15 15 18 18 18 18 19 19 19 19 17 17 17 17 17 17 17 17 20 20 20 20 20 20 20 5 24 25 5 24 25 27 28 29 27 28 29 30 31 32 30 31 32 4 10 17 36 6 22 23 6 22 23 6 22 23 3 10 3 10 3 10 1 9 1 9 1 9 2 24 25 2 24 25 2 24 25 15 26 15 26 13 14 13 14 18 33 18 33 19 34 19 34 17 35 17 35 20 38 20 38 20 39 20 39 16 37 16 37 15 37 15 37 19 40 19 40 18 40 18 -169.8875 66.1996 -50.0958 63.1958 -60.7172 -177.0126 56.9729 -63.8839 175.4432 -175.2119 63.9313 -56.7417 -179.3745 60.206 -61.0415 53.7405 -66.6789 172.0736 -178.4852 -0.0944 0.0891 -179.7837 63.2133 -60.2651 -175.919 -173.6907 62.8309 -52.823 -55.7301 -179.2085 65.1376 74.9431 -103.4434 -47.932 133.6815 -165.7033 15.9102 -5.3923 173.5042 118.2229 -62.8806 -123.8914 55.005 167.9937 -67.2758 49.394 -70.8545 53.876 170.5458 47.0358 171.7663 -71.5639 -0.0284 -179.5971 178.2608 -1.3078 167.4342 -11.0658 -11.4657 170.0343 -178.4455 1.1519 0.0396 179.637 178.9258 -1.0243 0.361 -179.5891 0.1574 -179.7941 179.7231 -0.2284 -0.3718 179.6062 -179.9751 0.0029 -0.4284 179.653 179.52 -0.3986 -0.1618 179.8075 179.7896 -0.2411 0.0396 -179.9301 179.9062 -0.0634 0.3058 -179.7909 -179.6721 0.2311 0.0926 -179.8106 -179.9889 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 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1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|21 H 1S|2S|22 H 1S|2S|23 H 1S|2S|24 H 1S|2S|25 H 1S|2S|26 H 1S|2S|27 H 1S|2S|28 H 1S|2S|29 H 1S|2S|30 H 1S|2S|31 H 1S|2S|32 H 1S|2S|33 H 1S|2S|34 H 1S|2S|35 H 1S|2S|36 H 1S|2S|37 H 1S|2S|38 H 1S|2S|39 H 1S|2S|40 H 1S|2S 1.13247 0.85917 0.97907 0.83679 1.34863 1.05761 0.99405 0.39785 0.23248 0.28163 1.15955 0.83074 0.84330 0.76871 0.89577 1.17708 0.89098 0.08379 0.39583 0.03893 1.15972 0.83029 0.88297 0.76288 0.84440 1.07288 1.01924 0.27103 0.11870 0.07456 1.17426 0.81389 0.72244 0.64725 0.88080 0.86996 0.90682 0.06116 0.03359 0.15882 1.17427 0.81414 0.72379 0.63992 0.83572 0.91441 0.91619 0.05337 0.18563 0.17596 1.17436 0.81414 0.73003 0.64123 0.81567 0.88604 0.91855 0.03255 0.17213 0.17099 1.17442 0.81390 0.76854 0.37504 0.76377 0.92820 0.86570 0.21381 -0.05707 -0.04387 1.17457 0.81363 0.79096 0.39248 0.94327 0.81125 0.73079 0.10665 0.10832 0.14193 1.17431 0.81379 0.75637 0.41279 0.89860 0.80943 0.91914 -0.07964 0.14069 -0.19399 1.17435 0.81402 0.75472 0.51195 0.77677 0.92466 0.93353 0.23105 -0.00274 0.21013 1.17430 0.81430 0.73551 0.67953 0.87213 0.92863 0.87706 0.16992 0.21093 0.16929 1.17428 0.81431 0.73406 0.69254 0.93187 0.93789 0.81232 0.21525 0.21472 0.11007 1.17435 0.81401 0.75132 0.53953 0.91588 0.80216 0.91436 0.12518 0.24032 0.14020 1.17437 0.81397 0.75543 0.53964 0.90289 0.78579 0.93513 0.03459 0.19273 0.21082 1.17441 0.81411 0.75952 0.50856 0.74599 0.94285 0.92466 0.21905 0.08229 0.02557 1.17442 0.81413 0.76981 0.49687 0.76221 0.87463 0.95059 0.21423 0.14009 0.17801 1.17437 0.81415 0.75587 0.50690 0.77213 0.94479 0.91165 0.22675 0.12300 -0.04724 1.17438 0.81411 0.75519 0.50977 0.90388 0.78763 0.92985 0.02141 0.19298 0.14681 1.17438 0.81409 0.75478 0.51700 0.91005 0.79048 0.92114 0.07375 0.23593 0.05474 1.17439 0.81413 0.75588 0.52199 0.92215 0.78830 0.90909 0.15514 0.20248 -0.00621 0.50700 0.25275 0.51132 0.24230 0.50535 0.24284 0.51534 0.27911 0.51551 0.29348 0.51880 0.23518 0.51536 0.25826 0.51659 0.28907 0.51435 0.26119 0.51436 0.26231 0.51587 0.28997 0.51505 0.24329 0.51986 0.24240 0.51412 0.22330 0.51772 0.24220 0.51648 0.24242 0.51697 0.24677 0.51944 0.24860 0.51931 0.24700 0.51917 0.24854 0.3205 -4.9945 -2.4800 5.5855 -108.5669 -121.3096 -111.3876 -0.0214 0.4971 -6.4360 5.1878 -7.5549 2.3671 -0.0214 0.4971 -6.4360 -48.0325 -86.2770 -2.0338 -8.5356 -15.0142 -0.8056 -22.0905 -10.7376 -1.8077 17.7751 -5553.7674 -1844.3594 -839.1343 -0.5909 56.6763 -112.6638 90.5938 4.5547 94.7675 -1450.9407 -1087.3498 -444.4202 40.4161 8.4425 -31.7182 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 248.19469999999984 AuxInfo=1/0/N:11,12,20,18,19,15,17,13,14,10,5,16,6,9,4,7,8,3,2,1/E:(1,2)(4,5)(8,9)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,12.3,14.3,16.3,17.3,18.2,20.1/rA:40O1NN2CCCC3C3C3C3CCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;;s4;s2s5;s3s4;s1s4;s8;s7;s2;s2;s9;s9;s10;s3;s15s16;s13;s14;s18s19;s4;s5;s5;s6;s6;s10;s11;s11;s11;s12;s12;s12;s13;s14;s15;s16;s17;s18;s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 5.107177 0.000000 3.536550 5.129638 0.000000 2.447985 3.887041 2.457872 0.000000 2.755766 2.516841 3.152347 1.552008 0.000000 4.290863 1.483634 3.881338 2.574923 1.541121 0.000000 3.486316 4.512255 1.370203 1.528466 2.545456 3.089106 0.000000 1.261852 5.043140 2.892877 1.552917 2.545983 3.931945 2.532649 0.000000 2.402086 6.417693 3.506265 2.639644 3.953214 5.196453 3.169910 1.505674 0.000000 4.809954 4.979079 2.438241 2.580159 3.530425 3.525742 1.418371 3.737666 4.075795 0.000000 6.498703 1.476870 6.169309 4.993779 3.823017 2.447770 5.438550 6.300277 7.579960 5.563094 0.000000 5.285513 1.478067 5.227785 4.523101 3.033358 2.473513 4.990440 5.470558 6.934467 5.658649 2.444040 0.000000 3.693952 6.858296 3.912088 3.057514 4.567543 5.508529 3.274174 2.573725 1.420604 3.680267 7.824328 7.577843 0.000000 2.819191 7.544267 4.421637 3.918318 5.051094 6.423323 4.406899 2.508069 1.421458 5.382441 8.795441 7.909531 2.448079 0.000000 5.890446 5.961729 2.834820 3.862624 4.708888 4.598007 2.442383 4.868919 5.063440 1.411911 6.421051 6.464981 4.604645 6.231236 0.000000 4.850500 6.042261 1.362999 3.718502 4.374650 4.824819 2.345562 4.195036 4.563326 2.764972 6.912180 6.051497 4.741223 5.376409 2.426432 0.000000 5.913102 6.449971 2.445365 4.316812 5.064244 5.171505 2.789913 5.061263 5.276174 2.433927 7.064006 6.649954 5.079860 6.232624 1.413949 1.413889 0.000000 4.852362 8.259181 5.042348 4.466963 5.976911 6.901464 4.541353 3.859083 2.458048 4.766124 9.189378 8.987895 1.411475 2.823678 5.463814 5.664357 5.888112 0.000000 4.223400 8.835442 5.441909 5.093305 6.352279 7.649672 5.411681 3.814378 2.458553 6.172834 10.027729 9.266622 2.827016 1.408202 6.886211 6.199552 6.901574 2.448851 0.000000 5.067605 9.153685 5.709180 5.317986 6.746304 7.858996 5.470339 4.345689 2.841282 5.916540 10.206679 9.750427 2.448776 2.446247 6.554392 6.329762 6.751156 1.414080 1.416303 0.000000 3.162239 4.088900 3.355411 1.110520 2.178935 2.776511 2.149352 2.168219 2.857740 2.649799 4.987617 5.025245 2.862127 4.232649 4.051904 4.484644 4.812301 4.222313 5.248856 5.247623 0.000000 2.672494 2.889898 2.853189 2.158386 1.103784 2.202029 2.759566 2.772461 4.226186 3.932254 4.277840 2.840855 5.038539 5.137109 4.897171 4.027306 4.942812 6.415706 6.490399 7.040962 3.073836 0.000000 2.615581 2.665770 4.099907 2.178019 1.104940 2.166425 3.490185 2.712995 4.124868 4.469616 4.010373 3.237545 4.854419 5.093740 5.726122 5.385726 6.121790 6.227161 6.414870 6.900995 2.532637 1.775688 0.000000 4.801287 2.162006 3.464183 2.890572 2.193449 1.122706 2.807989 4.327595 5.491955 3.028142 2.783629 2.771200 5.702773 6.739011 3.839594 4.145565 4.345944 7.058794 7.916699 8.058633 3.218827 2.513690 3.096354 0.000000 4.704298 2.096381 4.404229 2.730613 2.173066 1.109647 3.328291 4.151835 5.227045 3.447881 2.581993 3.401267 5.299851 6.543322 4.628705 5.327369 5.469066 6.638418 7.666970 7.711067 2.468544 3.100634 2.569903 1.791614 0.000000 5.183718 4.908891 3.420835 2.801945 3.713430 3.486000 2.183471 4.062966 4.354517 1.095847 5.317019 5.840729 3.755842 5.741765 2.184878 3.860340 3.435354 4.810564 6.479221 6.090249 2.425468 4.372763 4.504861 3.175750 3.065088 0.000000 6.677653 2.122336 6.457266 5.001194 4.054242 2.675128 5.525375 6.344377 7.501281 5.485313 1.105151 3.398785 7.588377 8.774673 6.430459 7.234208 7.265457 8.900385 9.930532 9.989735 4.749316 4.742618 4.161974 3.129640 2.324278 5.028222 0.000000 7.009715 2.181488 6.093625 5.316009 4.268269 2.794113 5.446589 6.718428 7.952609 5.400916 1.121312 2.792060 8.118645 9.203755 6.038036 6.630054 6.638841 9.465466 10.408945 10.529442 5.376304 4.600097 4.698395 2.663839 3.004406 5.231995 1.800716 0.000000 7.174046 2.121232 7.108038 5.915850 4.622410 3.402590 6.450476 7.120164 8.455410 6.649977 1.104861 2.669838 8.783083 9.611118 7.499322 7.869329 8.084970 10.156864 10.879559 11.128713 5.935963 4.980773 4.638108 3.797706 3.588918 6.414171 1.787954 1.799292 0.000000 6.142105 2.117408 6.322580 5.542184 4.018091 3.418582 6.084619 6.429967 7.910733 6.722439 2.641082 1.104646 8.582191 8.844502 7.523718 7.131331 7.719183 9.992780 10.216580 10.737515 5.978093 3.852558 4.024139 3.774628 4.206014 6.841803 3.640636 3.073521 2.386310 0.000000 5.743326 2.176864 4.989491 4.790089 3.466445 2.790981 4.909413 5.824240 7.233631 5.469074 2.807716 1.120997 7.814460 8.230450 6.050896 5.587739 6.111380 9.206734 9.558821 9.998740 5.377114 3.111012 3.960590 2.618258 3.772484 5.776951 3.823777 2.693674 3.144343 1.801598 0.000000 4.484151 2.129196 4.865436 4.195951 2.696043 2.748221 4.789341 4.868580 6.366351 5.702564 3.398532 1.102254 7.181905 7.202736 6.560538 5.805338 6.612361 8.576386 8.591104 9.205040 4.852109 2.237210 2.779512 3.154181 3.750858 5.993838 4.228118 3.825035 3.645840 1.782710 1.800221 0.000000 4.054741 6.285759 3.764013 2.704130 4.213756 4.886735 2.812761 2.817583 2.189610 2.895708 7.104827 7.137478 1.094284 3.446608 3.923806 4.549714 4.660799 2.165500 3.921193 3.433347 2.248756 4.834508 4.604520 5.029048 4.540619 2.765014 6.793516 7.346621 8.105667 8.143881 7.339678 6.892678 0.000000 2.458567 7.508864 4.625550 4.199699 5.054927 6.535015 4.799881 2.664465 2.163123 5.954509 8.853484 7.703577 3.429561 1.094868 6.810564 5.640048 6.676790 3.918251 2.188023 3.448028 4.690547 4.967570 4.996152 6.901019 6.799810 6.388085 8.938866 9.304624 9.587050 8.581064 8.061604 6.883191 4.339285 0.000000 6.896286 6.584682 3.930184 4.757426 5.583283 5.268038 3.440791 5.824311 5.924066 2.181890 6.833340 7.186088 5.270949 7.112329 1.095373 3.429317 2.185688 5.989543 7.656205 7.161277 4.763178 5.863535 6.574675 4.480175 5.144543 2.526231 6.741914 6.359457 7.916974 8.202244 6.738150 7.401663 4.490616 7.768279 0.000000 5.242687 6.716649 2.087605 4.545343 5.071806 5.621370 3.317167 4.789015 5.139563 3.860615 7.647064 6.510023 5.480231 5.720775 3.431527 1.096344 2.188563 6.310806 6.513727 6.784191 5.413020 4.522431 6.035743 4.947408 6.241541 4.955531 8.073939 7.344574 8.539333 7.549248 5.980470 6.168062 5.445329 5.843152 4.354913 0.000000 6.924667 7.363814 3.423839 5.409631 6.113034 6.148207 3.883649 6.106028 6.242641 3.438415 7.891459 7.481511 5.999386 7.107532 2.193235 2.182338 1.094471 6.668073 7.674147 7.476574 5.895669 5.927904 7.182578 5.245610 6.457510 4.360385 8.124394 7.358522 8.892517 8.520751 6.834766 7.481119 5.611767 7.549325 2.542472 2.529398 0.000000 5.821214 8.768285 5.659461 5.102313 6.631461 7.375228 5.040136 4.745781 3.448990 4.960272 9.564332 9.599329 2.175616 3.919218 5.540993 6.136713 6.115101 1.095553 3.442140 2.178959 4.698917 7.154939 6.930737 7.472836 6.988484 4.861446 9.184422 9.787010 10.565258 10.608365 9.781473 9.287584 2.488540 5.013755 5.873763 6.850638 6.817040 0.000000 4.874125 9.715156 6.280157 6.055227 7.224794 8.586538 6.384949 4.681441 3.449770 7.204664 10.958753 10.059002 3.922528 2.173766 7.865030 6.992242 7.769364 3.441938 1.095515 2.181218 6.273011 7.273307 7.229392 8.868293 8.658777 7.554659 10.900287 11.361365 11.774405 10.980714 10.363341 9.311836 5.016699 2.525898 8.651304 7.176464 8.487301 4.347937 0.000000 6.138168 10.224171 6.688495 6.388582 7.832773 8.915265 6.473123 5.441456 3.937171 6.812314 11.247490 10.839986 3.441449 3.439433 7.344867 7.197009 7.531754 2.180153 2.182898 1.095889 6.270616 8.131501 7.984012 9.092063 8.727340 6.956359 10.995073 11.556214 12.179968 11.829603 11.075403 10.300295 4.335461 4.357541 7.863345 7.609141 8.169090 2.510369 2.514162 0.000000 0.4970298 0.2001907 0.1667602 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= 234 234 234 234 234 MxSgAt= 40 MxSgA2= 40. 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 40 40 40 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 40 40 40 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 40 40 40 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 40 40 40 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 40 40 40 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 40 40 40 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 40 40 40 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 40 40 40 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 40 40 40 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 40 40 40 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 40 40 40 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= 12880 NPrTT= 65460 LenC2= 11393 LenP2D= 36243. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 240 RedAO= T EigKep= 9.63D-04 NBF= 240 NBsUse= 240 1.00D-06 EigRej= -1.00D+00 NBFU= 240 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= 233 234 234 234 234 MxSgAt= 40 MxSgA2= 40. 1 Closed 1 0 1 -843.023596354658 -843.139629420841 -0.116033066182 -843.255487786287 -0.115858365446 -842.392889568531 0.862598217756 -843.259836906277 -0.866947337746 -843.352953530913 -0.093116624636 -843.354276217948 -0.001322687035 -843.354564779607 -0.000288561659 -843.354606890678 -0.000042111071 -843.354612311246 -0.000005420568 -843.354696926852 -0.000084615605 -843.354699473300 -0.000002546449 -843.354698474612 0.000000998689 -843.354699676067 -0.000001201456 -843.354699690624 -0.000000014557 -843.354699691109 -0.000000000485 -843.354699691204 -0.000000000095 -843.354699691233 -0.000000000028 -843.354699691 18 8.397442543385e+02 -4.943456000892e+03 1.769621852585e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. IVT= 194310 IEndB= 194310 NGot= 402653184 MDV= 402533355 LenX= 402533355 LenY= 402475314 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Integral accuracy reduced to 1.0D-05 until final iterations. 1.26108193e-01 -1.96497820e+00 -9.75690079e-01 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.013474771 0.060998081 0.044891843 0.006579300 -0.018568152 -0.002564890 -0.000511096 0.005932197 0.004362254 0.005495143 0.004657076 -0.001930595 0.002097277 0.006008452 0.002129754 0.002602251 0.014992268 0.000103278 -0.003356177 0.000458516 -0.007062939 -0.012680888 -0.054547193 -0.041046364 0.007312848 0.002779516 0.004607320 -0.000046246 0.003176893 -0.000895797 -0.004210292 0.016333271 0.001184441 -0.006411505 0.016571091 -0.003322371 0.003721137 0.000632481 -0.006084512 -0.000803186 -0.001135127 0.010919134 0.002307699 -0.009321078 -0.008434819 -0.000461073 0.002207925 0.005914355 -0.001869649 -0.005220754 0.007201516 -0.003964234 0.001635653 -0.009065327 -0.004294683 -0.003411614 0.007344447 -0.010347135 -0.003138263 -0.003338885 0.000143477 -0.002375047 0.006266135 -0.003040849 -0.002239466 -0.002693595 0.001103245 -0.005336062 -0.002523094 0.003186646 -0.003755531 0.001671245 0.001411273 0.001822432 0.001652139 0.000894602 0.002157949 -0.005101327 -0.001531829 -0.000741083 -0.002274056 0.001451878 -0.011109505 0.002274083 0.002146841 0.000473119 0.001039698 0.002285929 0.000619301 -0.000470933 0.001759813 -0.011574260 -0.000085331 0.000375655 -0.000478222 0.000762368 0.003245864 0.002329227 -0.003780200 0.001321477 0.000085291 0.000975972 0.000548860 -0.002897856 -0.002275760 -0.000038260 -0.000560619 -0.000317301 -0.000844859 -0.004905745 0.002460918 -0.001903796 0.000947955 -0.004525945 -0.002767424 -0.002126459 0.003247650 -0.004382802 -0.001376657 -0.001214512 0.060998081 0.010670991 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 0 1 -843.371199910696 -843.371214036220 -0.000014125524 -843.371214633534 -0.000000597314 -843.371368233241 -0.000153599708 -843.371369487454 -0.000001254213 -843.371368628405 0.000000859050 -843.371371072154 -0.000002443750 -843.371371127087 -0.000000054933 -843.371371127620 -0.000000000533 -843.371371127845 -0.000000000226 -843.371371127858 -0.000000000012 -843.371371128 11 8.390532999532e+02 -4.905270697799e+03 1.750974726136e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. IVT= 194310 IEndB= 194310 NGot= 402653184 MDV= 402533355 LenX= 402533355 LenY= 402475314 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Integral accuracy reduced to 1.0D-05 until final iterations. (Enter /mnt/data/applications/G09/g09/l716.exe) alpha 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V -18.750009 -14.002074 -13.981486 -9.986070 -9.954567 -9.942804 -9.932921 -9.924164 -9.923499 -9.920608 -9.918767 -9.918742 -9.918682 -9.916215 -9.913880 -9.911754 -9.910641 -9.903995 -9.899576 -9.884957 -0.946803 -0.872488 -0.827131 -0.785164 -0.741902 -0.737628 -0.694528 -0.684703 -0.683115 -0.639401 -0.627562 -0.581627 -0.579535 -0.572287 -0.555191 -0.539097 -0.507370 -0.494656 -0.472901 -0.463133 -0.440160 -0.431823 -0.422861 -0.414286 -0.409027 -0.403717 -0.399682 -0.392575 -0.382678 -0.381310 -0.373334 -0.368695 -0.356485 -0.348945 -0.346801 -0.337499 -0.330901 -0.325785 -0.319130 -0.315066 -0.310928 -0.305439 -0.299365 -0.291795 -0.283226 -0.264445 -0.244648 -0.234224 -0.232622 -0.208661 -0.197214 -0.152382 -0.092377 -0.068843 -0.055974 -0.043685 -0.007207 0.064944 0.077099 0.081823 0.095790 0.099651 0.102199 0.109748 0.111155 0.115202 0.119199 0.124618 0.128932 0.131472 0.137388 0.144717 0.146716 0.150973 0.160675 0.163467 0.173738 0.180165 0.181844 0.185506 0.189609 0.197433 0.199710 0.202511 0.210396 0.220910 0.225708 0.229972 0.235981 0.239587 0.245033 0.247340 0.254576 0.264810 0.271336 0.276928 0.279409 0.289131 0.292426 0.299528 0.305912 0.310930 0.314997 0.320531 0.328418 0.331260 0.338224 0.347211 0.349332 0.352889 0.357687 0.362737 0.365159 0.369667 0.375168 0.378276 0.383544 0.387271 0.393475 0.399827 0.400285 0.403556 0.406400 0.413092 0.419361 0.430022 0.436869 0.451131 0.460204 0.469080 0.481662 0.488924 0.501992 0.521409 0.533454 0.535681 0.547889 0.553483 0.572653 0.578881 0.593529 0.599059 0.601784 0.614214 0.617643 0.633893 0.647544 0.660730 0.673302 0.681567 0.700740 0.717737 0.731403 0.736940 0.780329 0.804937 0.820815 0.844390 0.845165 0.868643 0.881241 0.890377 0.892725 0.903868 0.922275 0.933139 0.937600 0.954691 0.959628 0.984721 0.988186 1.009006 1.030044 1.041786 1.051298 1.055469 1.062691 1.073158 1.096979 1.109101 1.113343 1.141541 1.144691 1.154916 1.178141 1.184145 1.211589 1.227108 1.253756 1.267454 1.300186 1.310270 1.323655 1.378917 1.459617 1.475663 1.493147 1.517814 1.585038 1.715461 22.310277 22.378421 22.483451 22.511840 22.528123 22.548070 22.552883 22.597882 22.600862 22.607828 22.629090 22.663801 22.679274 22.688320 22.721588 22.735022 22.774764 31.539612 31.568592 41.557060 29.116650 22.045241 22.049993 15.955321 15.955227 15.955488 15.955921 15.954199 15.955413 15.953202 15.954999 15.954315 15.955951 15.955508 15.955602 15.958401 15.954294 15.957678 15.957627 15.956382 2.618536 1.817867 1.743787 1.510625 1.522803 1.699233 1.645824 1.585886 1.615156 1.538926 1.416868 1.562737 1.523599 1.599696 1.466184 1.536373 1.381072 1.319794 1.056370 1.274919 1.368018 1.303275 1.236889 1.123013 1.401043 1.322528 1.295981 1.177912 1.294987 1.199540 1.267089 1.447488 1.448269 1.349047 1.271066 1.080516 1.251014 1.255464 1.429768 1.162854 1.439463 1.461174 1.523242 1.429475 1.175172 1.318251 1.247867 1.196955 1.315867 1.912702 2.271093 1.655962 1.750696 1.613382 1.470986 1.412255 1.724346 1.572712 1.234833 1.342192 1.307808 1.221392 1.604200 1.397421 1.250019 1.231265 1.170318 1.206260 1.220316 1.247503 1.305526 1.294856 1.192591 1.220673 1.297819 1.279566 1.138143 1.323738 1.329246 1.281291 1.700176 1.112985 1.309887 1.188198 1.308986 1.345263 1.350180 1.486117 1.320579 1.359116 1.539164 1.188496 1.210158 1.320742 1.447774 1.482199 1.538748 1.317367 1.783235 1.585479 1.549944 1.345528 1.358464 1.664639 1.839954 1.399109 1.489985 1.822202 1.611404 1.765427 1.594858 2.114511 1.691720 1.653431 1.826508 1.873919 2.183163 1.757602 2.067622 1.661286 1.776816 2.159058 2.235760 1.955620 2.075016 1.934299 2.205295 1.897122 2.118845 2.113090 2.092106 1.765959 2.169028 1.834187 2.649969 2.130095 2.128311 2.499818 2.178990 2.430695 2.530588 1.951762 2.168104 2.638655 2.779220 2.164951 2.131822 2.178964 2.356109 2.082752 2.458621 2.314000 2.678123 2.313070 2.475453 2.483833 2.422090 2.705996 2.611973 2.894393 2.861488 2.730447 2.787523 2.905276 2.964782 2.800619 2.780692 2.846364 2.871664 2.946689 2.679777 2.910765 2.608342 2.680437 2.862270 2.730427 2.993061 3.004711 2.670211 2.705188 2.657371 2.615809 2.611988 2.644797 2.636709 2.587308 2.745339 2.838876 2.613530 2.704014 2.733545 2.777954 2.829111 2.995166 3.104318 3.555819 2.964894 3.707429 3.659874 5.128507 57.409112 57.406373 57.409587 57.410650 57.399911 57.403676 57.396824 57.405853 57.400219 57.399929 57.395776 57.398241 57.394390 57.393282 57.380018 57.389640 57.381347 80.071480 80.069025 105.843345 8.390532999532D+02 PT5927S 2018-01-11T12:16:54.000+01:00 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 O N N C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H -0.119744 -0.084681 -0.036672 -0.268972 -0.433399 -0.355684 0.197554 -0.013849 0.348491 -0.328433 -0.631590 -0.637311 -0.417312 -0.345348 -0.197017 -0.374998 -0.182370 -0.236021 -0.246350 -0.237352 0.240255 0.246379 0.251809 0.205556 0.191007 0.246013 0.226386 0.194345 0.224469 0.223326 0.194155 0.241655 0.237736 0.262576 0.240086 0.241106 0.236264 0.231960 0.233692 0.232286 0.00000 -9.94280 -9.93292 -9.92416 -9.92350 -9.92061 -9.91877 -9.91874 -9.91868 -9.91621 -9.91388 -9.91175 -9.91064 -9.90400 -9.89958 -9.88496 -0.94680 -0.87249 -0.82713 -0.78516 -0.74190 -0.73763 -0.69453 -0.68470 -0.68311 -0.63940 -0.62756 -0.58163 -0.57953 -0.57229 -0.55519 -0.53910 -0.50737 -0.49466 -0.47290 -0.46313 -0.44016 -0.43182 -0.42286 -0.41429 -0.40903 -0.40372 -0.39968 -0.39257 -0.38268 -0.38131 -0.37333 -0.36869 -0.35648 -0.34894 -0.34680 -0.33750 -0.33090 -0.32578 -0.31913 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70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 1 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|2 N 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|3 N 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 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|18 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|19 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|20 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|21 H 1S|2S|22 H 1S|2S|23 H 1S|2S|24 H 1S|2S|25 H 1S|2S|26 H 1S|2S|27 H 1S|2S|28 H 1S|2S|29 H 1S|2S|30 H 1S|2S|31 H 1S|2S|32 H 1S|2S|33 H 1S|2S|34 H 1S|2S|35 H 1S|2S|36 H 1S|2S|37 H 1S|2S|38 H 1S|2S|39 H 1S|2S|40 H 1S|2S 1.13254 0.85913 0.97729 0.86639 1.34055 1.00890 1.01568 0.43182 0.29203 0.27152 1.15941 0.83091 0.83328 0.73651 0.90442 1.19907 0.90130 0.07782 0.39809 0.03608 1.15976 0.83025 0.88682 0.76291 0.82975 1.03700 1.05668 0.27550 0.05986 0.12081 1.17428 0.81387 0.71883 0.67007 0.87494 0.85922 0.91189 0.08203 0.04061 0.15222 1.17427 0.81412 0.72349 0.65492 0.83004 0.91866 0.91755 0.05642 0.19011 0.16496 1.17436 0.81416 0.72978 0.63452 0.81919 0.88616 0.91531 0.02884 0.17608 0.16550 1.17445 0.81394 0.76727 0.38462 0.75675 0.91576 0.87153 0.22702 -0.08208 -0.03097 1.17465 0.81365 0.78949 0.40023 0.92652 0.74886 0.76951 0.04667 0.13051 0.11139 1.17437 0.81383 0.75409 0.47168 0.90352 0.81799 0.88146 -0.10711 0.09548 -0.12859 1.17437 0.81406 0.75288 0.52392 0.77059 0.91987 0.93058 0.24445 0.01737 0.20227 1.17431 0.81431 0.73462 0.68081 0.86850 0.92294 0.87957 0.16343 0.21164 0.16717 1.17429 0.81434 0.73312 0.69564 0.93292 0.93094 0.81253 0.21375 0.21797 0.10576 1.17439 0.81394 0.75436 0.56627 0.93584 0.78963 0.88308 0.08244 0.19977 0.15060 1.17440 0.81400 0.75581 0.56046 0.91886 0.78502 0.89972 0.03220 0.20703 0.21238 1.17444 0.81414 0.75956 0.51667 0.73464 0.93052 0.93016 0.23092 0.05674 0.04473 1.17444 0.81414 0.77083 0.50069 0.74820 0.87001 0.96064 0.21707 0.14554 0.17559 1.17440 0.81417 0.75581 0.51597 0.76132 0.94150 0.90866 0.24212 0.13188 -0.06737 1.17440 0.81410 0.75366 0.53012 0.91363 0.80211 0.89209 -0.01591 0.22506 0.16510 1.17441 0.81413 0.75441 0.53661 0.93200 0.79559 0.87902 0.07276 0.19014 0.08540 1.17444 0.81413 0.75858 0.53572 0.93978 0.78369 0.86957 0.13494 0.17272 0.04566 0.51159 0.26211 0.51170 0.23577 0.50904 0.24926 0.51110 0.29797 0.51670 0.29230 0.51531 0.24335 0.51402 0.26422 0.50866 0.30764 0.51338 0.26440 0.51340 0.27046 0.50824 0.30780 0.51512 0.23603 0.51896 0.24383 0.51021 0.21197 0.51501 0.24675 0.51619 0.24169 0.51330 0.25472 0.51592 0.25558 0.51551 0.25236 0.51554 0.25255 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 O N N C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H -0.195851 -0.076879 -0.019338 -0.297955 -0.444543 -0.343903 0.201708 0.088506 0.323288 -0.350376 -0.617296 -0.631263 -0.350329 -0.359878 -0.192536 -0.377163 -0.178466 -0.254365 -0.234472 -0.229236 0.226295 0.252532 0.241706 0.190934 0.191006 0.241345 0.221763 0.183699 0.222222 0.216140 0.183963 0.248848 0.237206 0.277820 0.238234 0.242112 0.231981 0.228499 0.232133 0.231910 0.00000 -2.98244982e-01 -1.63154046e+00 -1.29025814e+00 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -0.7581 -4.1470 -3.2795 5.3411 -104.6739 -117.4421 -115.1480 -3.4629 0.3208 -0.0204 7.7474 -5.0208 -2.7267 -3.4629 0.3208 -0.0204 -87.1894 -69.9623 -10.5493 -14.6483 16.8986 5.1828 -16.1310 -14.3401 3.4640 -6.2054 -5634.2803 -1954.4033 -808.6682 -27.1532 53.5071 -53.8629 -67.0919 25.9199 -48.3561 -1494.7625 -1144.7040 -462.0099 63.9894 -2.5865 3.1453 0 -843.3713711 8.548E-9 1.601E-5 5.7600256,-3.7328184,-2.0272072,-2.5746114,0.2385093,-0.0151441 C01[X(C17H20N2O1)] -0.298245 -1.6315405 -1.2902581 @ 0.000005815 0.000006415 -0.000003088 0.000010651 -0.000015017 0.000017806 -0.000003770 0.000009281 -0.000009731 -0.000052602 -0.000080167 0.000051215 0.000013624 -0.000006410 -0.000040169 0.000023693 0.000000620 0.000001234 0.000005257 0.000032005 -0.000019025 -0.000035902 0.000010089 -0.000015096 0.000042308 0.000007843 -0.000000039 0.000007095 0.000006015 -0.000005424 -0.000018369 -0.000024973 0.000017475 -0.000013024 -0.000026107 -0.000044604 -0.000010186 0.000001728 0.000002838 -0.000026067 -0.000005785 0.000012088 0.000002093 -0.000000029 0.000012150 0.000026038 -0.000002761 0.000019779 -0.000004330 -0.000001467 -0.000006282 0.000009453 -0.000004978 -0.000000025 0.000000346 0.000006700 0.000008121 -0.000001460 -0.000000952 0.000005605 0.000004505 0.000019805 -0.000018986 0.000018711 0.000008938 0.000011757 -0.000006927 0.000003428 0.000012740 -0.000007330 0.000008685 0.000000819 0.000004238 -0.000004499 -0.000006471 -0.000000553 -0.000005137 0.000002690 -0.000000540 0.000005274 -0.000014286 -0.000003860 0.000016335 -0.000009632 0.000001536 0.000008369 -0.000011875 0.000003146 0.000009156 -0.000002612 -0.000001759 0.000021171 0.000000803 -0.000003372 0.000012373 0.000003788 0.000014600 -0.000008138 0.000006710 0.000005592 0.000002619 -0.000000056 0.000000562 -0.000004191 0.000004302 -0.000004016 0.000005828 0.000001648 -0.000000299 -0.000000803 0.000006146 -0.000004943 -0.000003341 0.000004352 0.000001826 -0.000002626 0.000003214 -0.000001780 -0.000005297 0.000000123 248.19469999999984 AuxInfo=1/0/N:11,12,20,18,19,15,17,13,14,10,5,16,6,9,4,7,8,3,2,1/E:(1,2)(4,5)(8,9)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,12.3,14.3,16.3,17.3,18.2,20.1/rA:40O1NN2CCCC3C3C3C3CCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;;s4;s2s5;s3s4;s1s4;s8;s7;s2;s2;s9;s9;s10;s3;s15s16;s13;s14;s18s19;s4;s5;s5;s6;s6;s10;s11;s11;s11;s12;s12;s12;s13;s14;s15;s16;s17;s18;s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2069 CBGUSER 000238471 EM64L-G09RevD.01 11-Jan-2018 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 114 C1[X(C17H20N2O)] RPBEPBE SDD Freq #p freq=noraman PBEPBE/SDD 248.19469999999984 0 1 AuxInfo=1/0/N:11,12,20,18,19,15,17,13,14,10,5,16,6,9,4,7,8,3,2,1/E:(1,2)(4,5)(8,9)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,12.3,14.3,16.3,17.3,18.2,20.1/rA:40O1NN2CCCC3C3C3C3CCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;;s4;s2s5;s3s4;s1s4;s8;s7;s2;s2;s9;s9;s10;s3;s15s16;s13;s14;s18s19;s4;s5;s5;s6;s6;s10;s11;s11;s11;s12;s12;s12;s13;s14;s15;s16;s17;s18;s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-6487.inp" -scrdir="/scratch/" chk=000238471-Freq.chk nprocshared=4 mem=3GB #p freq=noraman PBEPBE/SDD 1/10=4,30=1,38=1/1,3 2/12=2,17=6,18=5,40=1/2 3/5=17,6=7,11=2,16=1,25=1,30=1,71=2,74=1009,140=1/1,2,3 4//1 5/5=2,38=5,98=1/2 8/6=4,10=90,11=11/1 11/6=1,8=1,9=11,15=111,16=1/1,2,10 10/6=1/2 6/7=2,8=2,9=2,10=2,18=1,28=1/1 7/8=1,10=1,25=1/1,2,3,16 1/10=4,30=1/3 99//99 000238471 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 16 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 (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| 0.000106 0.000033 0.077118 0.022473 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -5.177884e-06 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 1471.8712813304 240 560 240 72 72 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 40 40 40 1.00e+00 60 F 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 248.19469999999984 AuxInfo=1/0/N:11,12,20,18,19,15,17,13,14,10,5,16,6,9,4,7,8,3,2,1/E:(1,2)(4,5)(8,9)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,12.3,14.3,16.3,17.3,18.2,20.1/rA:40O1NN2CCCC3C3C3C3CCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;;s4;s2s5;s3s4;s1s4;s8;s7;s2;s2;s9;s9;s10;s3;s15s16;s13;s14;s18s19;s4;s5;s5;s6;s6;s10;s11;s11;s11;s12;s12;s12;s13;s14;s15;s16;s17;s18;s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 5.107177 0.000000 3.536550 5.129638 0.000000 2.447986 3.887041 2.457872 0.000000 2.755766 2.516842 3.152346 1.552008 0.000000 4.290864 1.483634 3.881338 2.574923 1.541122 0.000000 3.486316 4.512256 1.370203 1.528466 2.545457 3.089106 0.000000 1.261853 5.043141 2.892877 1.552917 2.545982 3.931945 2.532649 0.000000 2.402086 6.417693 3.506265 2.639644 3.953214 5.196452 3.169909 1.505674 0.000000 4.809954 4.979078 2.438241 2.580159 3.530425 3.525742 1.418370 3.737665 4.075795 0.000000 6.498702 1.476869 6.169309 4.993778 3.823017 2.447769 5.438550 6.300277 7.579959 5.563093 0.000000 5.285513 1.478067 5.227785 4.523101 3.033357 2.473512 4.990440 5.470558 6.934466 5.658648 2.444040 0.000000 3.693953 6.858296 3.912088 3.057514 4.567544 5.508530 3.274174 2.573725 1.420604 3.680268 7.824329 7.577843 0.000000 2.819192 7.544267 4.421637 3.918318 5.051094 6.423324 4.406899 2.508069 1.421458 5.382441 8.795441 7.909531 2.448079 0.000000 5.890446 5.961729 2.834821 3.862624 4.708888 4.598007 2.442383 4.868919 5.063440 1.411911 6.421051 6.464980 4.604645 6.231236 0.000000 4.850500 6.042261 1.363000 3.718503 4.374650 4.824819 2.345562 4.195036 4.563327 2.764971 6.912180 6.051496 4.741224 5.376410 2.426431 0.000000 5.913103 6.449972 2.445366 4.316813 5.064245 5.171506 2.789913 5.061263 5.276174 2.433927 7.064006 6.649954 5.079861 6.232624 1.413950 1.413888 0.000000 4.852362 8.259181 5.042347 4.466963 5.976911 6.901464 4.541352 3.859083 2.458048 4.766124 9.189377 8.987895 1.411475 2.823678 5.463814 5.664357 5.888111 0.000000 4.223401 8.835443 5.441909 5.093305 6.352279 7.649673 5.411681 3.814378 2.458554 6.172834 10.027729 9.266621 2.827016 1.408202 6.886211 6.199553 6.901575 2.448851 0.000000 5.067605 9.153685 5.709179 5.317986 6.746304 7.858996 5.470338 4.345688 2.841283 5.916539 10.206679 9.750426 2.448776 2.446246 6.554392 6.329762 6.751156 1.414080 1.416303 0.000000 3.162240 4.088900 3.355411 1.110521 2.178935 2.776511 2.149352 2.168219 2.857740 2.649798 4.987617 5.025245 2.862128 4.232649 4.051904 4.484644 4.812302 4.222313 5.248856 5.247623 0.000000 2.672494 2.889899 2.853188 2.158385 1.103784 2.202030 2.759566 2.772460 4.226185 3.932253 4.277840 2.840855 5.038539 5.137109 4.897171 4.027305 4.942811 6.415706 6.490399 7.040961 3.073836 0.000000 2.615581 2.665770 4.099907 2.178019 1.104940 2.166425 3.490186 2.712996 4.124868 4.469616 4.010373 3.237545 4.854420 5.093741 5.726122 5.385727 6.121790 6.227161 6.414871 6.900995 2.532638 1.775689 0.000000 4.801287 2.162005 3.464183 2.890571 2.193449 1.122705 2.807990 4.327594 5.491955 3.028142 2.783629 2.771199 5.702773 6.739011 3.839595 4.145565 4.345944 7.058793 7.916699 8.058632 3.218827 2.513690 3.096354 0.000000 4.704298 2.096381 4.404228 2.730613 2.173066 1.109647 3.328290 4.151835 5.227044 3.447881 2.581993 3.401267 5.299851 6.543322 4.628705 5.327369 5.469066 6.638417 7.666970 7.711066 2.468543 3.100634 2.569903 1.791614 0.000000 5.183718 4.908891 3.420836 2.801946 3.713431 3.486001 2.183471 4.062966 4.354516 1.095847 5.317020 5.840730 3.755842 5.741765 2.184878 3.860340 3.435354 4.810563 6.479221 6.090248 2.425469 4.372763 4.504862 3.175750 3.065088 0.000000 6.677653 2.122336 6.457266 5.001194 4.054243 2.675128 5.525376 6.344378 7.501281 5.485313 1.105151 3.398785 7.588378 8.774674 6.430459 7.234208 7.265458 8.900386 9.930533 9.989736 4.749316 4.742618 4.161974 3.129640 2.324279 5.028223 0.000000 7.009715 2.181487 6.093625 5.316009 4.268269 2.794113 5.446589 6.718429 7.952609 5.400916 1.121312 2.792059 8.118646 9.203755 6.038037 6.630054 6.638842 9.465466 10.408945 10.529442 5.376304 4.600098 4.698394 2.663839 3.004407 5.231996 1.800715 0.000000 7.174046 2.121232 7.108038 5.915850 4.622410 3.402590 6.450476 7.120164 8.455410 6.649977 1.104861 2.669838 8.783084 9.611118 7.499322 7.869329 8.084971 10.156864 10.879559 11.128713 5.935962 4.980773 4.638108 3.797706 3.588918 6.414172 1.787954 1.799292 0.000000 6.142105 2.117407 6.322580 5.542184 4.018091 3.418581 6.084620 6.429967 7.910733 6.722438 2.641082 1.104647 8.582191 8.844502 7.523718 7.131331 7.719183 9.992780 10.216581 10.737514 5.978092 3.852558 4.024138 3.774628 4.206014 6.841804 3.640635 3.073521 2.386309 0.000000 5.743326 2.176864 4.989490 4.790089 3.466445 2.790981 4.909413 5.824240 7.233631 5.469074 2.807716 1.120997 7.814461 8.230450 6.050896 5.587739 6.111380 9.206734 9.558822 9.998740 5.377114 3.111012 3.960591 2.618258 3.772485 5.776952 3.823777 2.693674 3.144344 1.801599 0.000000 4.484151 2.129196 4.865436 4.195951 2.696043 2.748222 4.789342 4.868580 6.366350 5.702564 3.398531 1.102254 7.181905 7.202736 6.560538 5.805338 6.612361 8.576386 8.591104 9.205040 4.852109 2.237210 2.779511 3.154181 3.750858 5.993839 4.228118 3.825035 3.645840 1.782710 1.800221 0.000000 4.054742 6.285759 3.764013 2.704130 4.213756 4.886735 2.812760 2.817583 2.189610 2.895709 7.104827 7.137477 1.094285 3.446608 3.923805 4.549714 4.660799 2.165500 3.921193 3.433347 2.248756 4.834507 4.604521 5.029049 4.540619 2.765013 6.793516 7.346621 8.105668 8.143881 7.339679 6.892678 0.000000 2.458567 7.508864 4.625550 4.199699 5.054927 6.535015 4.799882 2.664465 2.163124 5.954509 8.853484 7.703577 3.429561 1.094869 6.810564 5.640048 6.676790 3.918251 2.188023 3.448028 4.690548 4.967570 4.996153 6.901019 6.799810 6.388085 8.938867 9.304624 9.587050 8.581064 8.061604 6.883191 4.339285 0.000000 6.896287 6.584682 3.930184 4.757427 5.583284 5.268039 3.440791 5.824311 5.924066 2.181891 6.833341 7.186088 5.270949 7.112329 1.095373 3.429316 2.185688 5.989542 7.656205 7.161277 4.763179 5.863534 6.574675 4.480175 5.144544 2.526232 6.741915 6.359458 7.916974 8.202244 6.738150 7.401664 4.490616 7.768279 0.000000 5.242687 6.716649 2.087605 4.545344 5.071806 5.621370 3.317166 4.789015 5.139562 3.860614 7.647064 6.510022 5.480231 5.720774 3.431527 1.096344 2.188563 6.310805 6.513726 6.784190 5.413020 4.522431 6.035743 4.947408 6.241540 4.955531 8.073939 7.344574 8.539333 7.549249 5.980470 6.168062 5.445329 5.843152 4.354913 0.000000 6.924667 7.363813 3.423839 5.409631 6.113033 6.148207 3.883649 6.106028 6.242641 3.438415 7.891459 7.481510 5.999386 7.107531 2.193235 2.182337 1.094470 6.668072 7.674148 7.476574 5.895669 5.927902 7.182577 5.245609 6.457510 4.360385 8.124393 7.358522 8.892516 8.520751 6.834765 7.481118 5.611766 7.549324 2.542472 2.529398 0.000000 5.821215 8.768286 5.659461 5.102313 6.631462 7.375228 5.040135 4.745782 3.448990 4.960273 9.564333 9.599329 2.175616 3.919217 5.540993 6.136713 6.115101 1.095553 3.442140 2.178958 4.698918 7.154939 6.930738 7.472836 6.988484 4.861446 9.184423 9.787011 10.565258 10.608365 9.781473 9.287584 2.488540 5.013755 5.873764 6.850637 6.817040 0.000000 4.874125 9.715156 6.280157 6.055227 7.224793 8.586538 6.384949 4.681441 3.449770 7.204663 10.958752 10.059001 3.922527 2.173765 7.865029 6.992242 7.769363 3.441938 1.095514 2.181217 6.273010 7.273306 7.229392 8.868293 8.658776 7.554658 10.900287 11.361365 11.774405 10.980713 10.363340 9.311835 5.016698 2.525897 8.651304 7.176463 8.487300 4.347936 0.000000 6.138168 10.224172 6.688496 6.388583 7.832773 8.915265 6.473123 5.441456 3.937172 6.812315 11.247490 10.839986 3.441449 3.439433 7.344867 7.197010 7.531754 2.180154 2.182898 1.095890 6.270617 8.131501 7.984012 9.092063 8.727340 6.956359 10.995074 11.556215 12.179968 11.829604 11.075404 10.300295 4.335461 4.357542 7.863345 7.609141 8.169090 2.510369 2.514162 0.000000 C17H20N2O C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 248.19469999999984 AuxInfo=1/0/N:11,12,20,18,19,15,17,13,14,10,5,16,6,9,4,7,8,3,2,1/E:(1,2)(4,5)(8,9)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,12.3,14.3,16.3,17.3,18.2,20.1/rA:40O1NN2CCCC3C3C3C3CCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;;s4;s2s5;s3s4;s1s4;s8;s7;s2;s2;s9;s9;s10;s3;s15s16;s13;s14;s18s19;s4;s5;s5;s6;s6;s10;s11;s11;s11;s12;s12;s12;s13;s14;s15;s16;s17;s18;s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.4970298 0.2001907 0.1667602 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= 12880 NPrTT= 65460 LenC2= 11393 LenP2D= 36243. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 240 RedAO= T EigKep= 9.63D-04 NBF= 240 NBsUse= 240 1.00D-06 EigRej= -1.00D+00 NBFU= 240 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= 233 234 234 234 234 MxSgAt= 40 MxSgA2= 40. 1 Closed 1 0 1 -843.052120042859 -843.158540911560 -0.106420868701 -843.234468644467 -0.075927732907 -842.389559662858 0.844908981609 -843.284171988201 -0.894612325343 -843.364492893568 -0.080320905367 -843.370141703819 -0.005648810251 -843.371163376073 -0.001021672254 -843.371248500426 -0.000085124352 -843.371264070553 -0.000015570128 -843.371409318761 -0.000145248207 -843.371411720277 -0.000002401516 -843.371409724264 0.000001996013 -843.371412693826 -0.000002969562 -843.371412799410 -0.000000105584 -843.371412801520 -0.000000002110 -843.371412801714 -0.000000000195 -843.371412801727 -0.000000000013 -843.371412801734 -0.000000000007 -843.371412802 19 8.390531607458e+02 -4.905270429951e+03 1.750974575073e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. IVT= 194710 IEndB= 194710 NGot= 402653184 MDV= 402532955 LenX= 402532955 LenY= 402474914 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Integral accuracy reduced to 1.0D-05 until final iterations. Using compressed storage, NAtomX= 40. Will process 41 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=1111111111111111111111111111111111111111 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= 402652540 using IRadAn= 2. Generate precomputed XC quadrature information. Solving linear equations simultaneously, MaxMat= 0. FoFJK: IHMeth= 1 ICntrl= 500 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 780000000 NMat= 123 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 2. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 123 NMatS0= 123 NMatT0= 0 NMatD0= 123 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. There are 123 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 120 vectors produced by pass 0 Test12= 1.21D-14 1.00D-09 XBig12= 3.45D+02 1.15D+01. AX will form 120 AO Fock derivatives at one time. 120 vectors produced by pass 1 Test12= 1.21D-14 1.00D-09 XBig12= 1.03D+02 2.09D+00. 120 vectors produced by pass 2 Test12= 1.21D-14 1.00D-09 XBig12= 3.34D-01 5.30D-02. 120 vectors produced by pass 3 Test12= 1.21D-14 1.00D-09 XBig12= 8.54D-05 6.31D-04. 76 vectors produced by pass 4 Test12= 1.21D-14 1.00D-09 XBig12= 1.64D-08 1.45D-05. 4 vectors produced by pass 5 Test12= 1.21D-14 1.00D-09 XBig12= 1.89D-12 1.42D-07. 3 vectors produced by pass 6 Test12= 1.21D-14 1.00D-09 XBig12= 1.28D-15 2.89D-09. InvSVY: IOpt=1 It= 1 EMax= 4.26D-14 Solved reduced A of dimension 563 with 123 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 194.72 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 226.418 3.294 187.495 -0.404 -18.026 170.238 347.654 21.036 355.368 -4.255 -70.645 367.498 (Enter /mnt/data/applications/G09/g09/l716.exe) PT4804.100S 2018-01-11T12:37:05.000+01:00 -18.75001 -14.00208 -13.98149 -9.98607 -9.95458 -9.94281 -9.93292 -9.92417 -9.92350 -9.92061 -9.91877 -9.91874 -9.91868 -9.91621 -9.91388 -9.91176 -9.91064 -9.90400 -9.89957 -9.88496 -0.94680 -0.87250 -0.82713 -0.78516 -0.74191 -0.73763 -0.69453 -0.68470 -0.68312 -0.63940 -0.62756 -0.58163 -0.57954 -0.57229 -0.55519 -0.53910 -0.50737 -0.49466 -0.47290 -0.46313 -0.44016 -0.43182 -0.42286 -0.41429 -0.40903 -0.40372 -0.39968 -0.39258 -0.38268 -0.38131 -0.37334 -0.36870 -0.35649 -0.34894 -0.34680 -0.33750 -0.33090 -0.32578 -0.31913 -0.31506 -0.31093 -0.30544 -0.29937 -0.29180 -0.28323 -0.26445 -0.24465 -0.23423 -0.23262 -0.20866 -0.19721 -0.15239 -0.09238 -0.06885 -0.05598 -0.04369 -0.00721 0.06494 0.07709 0.08182 0.09579 0.09965 0.10220 0.10974 0.11116 0.11520 0.11920 0.12462 0.12893 0.13147 0.13738 0.14472 0.14671 0.15097 0.16067 0.16346 0.17374 0.18016 0.18184 0.18550 0.18961 0.19743 0.19970 0.20250 0.21039 0.22092 0.22571 0.22997 0.23598 0.23959 0.24503 0.24733 0.25457 0.26480 0.27134 0.27693 0.27941 0.28913 0.29243 0.29952 0.30592 0.31095 0.31502 0.32051 0.32842 0.33126 0.33823 0.34721 0.34933 0.35288 0.35769 0.36273 0.36517 0.36967 0.37518 0.37828 0.38356 0.38728 0.39347 0.39982 0.40028 0.40356 0.40642 0.41310 0.41935 0.43002 0.43686 0.45112 0.46021 0.46906 0.48167 0.48892 0.50200 0.52142 0.53347 0.53568 0.54788 0.55348 0.57264 0.57888 0.59353 0.59905 0.60178 0.61419 0.61765 0.63388 0.64753 0.66075 0.67331 0.68156 0.70073 0.71775 0.73140 0.73691 0.78032 0.80493 0.82082 0.84440 0.84518 0.86864 0.88124 0.89036 0.89273 0.90387 0.92228 0.93315 0.93759 0.95468 0.95962 0.98473 0.98819 1.00901 1.03004 1.04178 1.05131 1.05547 1.06268 1.07315 1.09698 1.10910 1.11336 1.14154 1.14469 1.15491 1.17813 1.18414 1.21158 1.22711 1.25376 1.26745 1.30018 1.31025 1.32365 1.37891 1.45962 1.47566 1.49315 1.51780 1.58503 1.71547 22.31028 22.37842 22.48344 22.51184 22.52812 22.54807 22.55288 22.59788 22.60086 22.60783 22.62909 22.66380 22.67927 22.68832 22.72158 22.73502 22.77477 31.53961 31.56859 41.55706 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 O N N C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H -0.195898 -0.076817 -0.019305 -0.297975 -0.444508 -0.344026 0.201513 0.088662 0.323224 -0.350378 -0.617323 -0.631296 -0.350164 -0.359952 -0.192503 -0.377169 -0.178471 -0.254386 -0.234496 -0.229208 0.226303 0.252524 0.241711 0.190969 0.191036 0.241373 0.221768 0.183710 0.222235 0.216147 0.183962 0.248851 0.237167 0.277833 0.238232 0.242121 0.231984 0.228512 0.232139 0.231900 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 O N N C C C C C C C C C C C C C C C C C -0.195898 -0.076817 -0.019305 -0.071673 0.049726 0.037980 0.201513 0.088662 0.323224 -0.109004 0.010389 0.017665 -0.112998 -0.082119 0.045728 -0.135048 0.053513 -0.025874 -0.002357 0.002692 0.00000 3.04767330e-01 1.72896779e+00 -1.15495695e+00 2.26418449e+02 3.29435277e+00 1.87495323e+02 -4.04448967e-01 -1.80260100e+01 1.70237906e+02 -7.0005 0.0001 0.0003 0.0007 4.3805 10.5193 23.7338 29.3753 30.6088 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 23.6897 29.0002 30.5298 36.4046 52.9488 65.8758 88.5829 120.0587 140.8919 166.2867 178.6625 206.0900 223.1108 240.0298 251.4110 253.8394 332.3180 341.5958 390.0696 400.1198 404.7125 421.3638 430.8070 455.2978 484.4610 542.9641 582.7040 609.1751 614.2826 649.0298 685.7615 695.3140 747.7927 751.4143 777.7133 790.3979 803.4969 838.5130 846.0073 852.9872 902.3198 938.9712 958.8898 960.5887 975.4357 986.7598 990.4558 1000.2783 1008.1987 1019.4107 1023.4674 1027.8512 1034.1790 1042.0669 1067.1312 1083.9391 1087.8752 1093.0760 1099.5079 1134.8944 1163.3368 1163.8570 1173.0051 1184.0792 1190.2188 1212.3007 1227.2224 1259.1665 1262.8001 1282.4728 1297.9626 1301.3819 1313.7942 1326.9557 1330.1392 1375.6911 1386.5455 1412.1625 1418.6627 1434.7320 1442.1457 1447.5174 1457.1102 1461.4396 1471.2109 1476.2785 1478.6096 1479.3188 1487.2155 1562.2943 1570.3973 1578.9300 1599.6312 1613.3682 2825.3799 2838.6529 2855.9957 2972.6267 2983.4391 3014.6596 3016.6972 3032.4433 3074.1406 3083.4127 3093.1788 3124.4866 3127.4705 3129.9764 3138.7438 3147.3359 3151.7967 3161.3423 3169.7512 3170.1115 5.1372 3.8481 3.2272 3.5561 4.3549 4.3087 4.5534 2.6905 4.6477 4.2511 2.8009 3.4753 1.9692 1.4675 1.6972 2.0506 2.5922 5.1413 3.2171 2.8029 3.5494 3.9271 2.5886 3.9780 3.6054 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