Gaussian 09 GINC-KIMIK2120 CBGUSER 000155381 EM64L-G09RevD.01 31-Aug-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #popt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 340.19909999999976 0 1 AuxInfo=1/0/N:22,26,25,23,24,16,18,17,10,11,21,8,9,19,13,12,20,14,15,7,5,4,6,3,1,2/CRV:6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,21.1,22.1/rA:44OOOO1O1OOC3C3C3C3C3C3C3C3C3C3C3C3C3C3CCCCCHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;s8;s9;s4s8s9;s5s10s11;s1s8;s2s9;s10;s16;s11;s7s14s17;s3s15;s6s18s20;s17;s1;s2;s3;s6;s16;s18;s22;s22;s22;s7;s24;s24;s24;s23;s23;s23;s25;s25;s25;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-6578.inp" -scrdir="/scratch/" chk=000155381.chk nprocshared=8 mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 1/7=-1,14=-1,18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,15=1,17=6,18=5,40=1/2 3/5=17,6=7,11=2,16=1,24=10,25=1,30=1,71=1,74=1009/1,2,3 4//1 5/5=2,38=5/2 6/7=3,28=1,40=-1,79=1/1,7 7/30=1/1,2,3,16 1/7=-1,14=-1,18=20,19=15,26=3/3(2) 2/9=110,15=1/2 99//99 2/9=110,15=1/2 3/5=17,6=7,11=2,16=1,25=1,30=1,71=1,74=1009/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7/30=1/1,2,3,16 1/7=-1,14=-1,18=20,19=15,26=3/3(-5) 2/9=110,15=1/2 6/7=3,19=2,28=1,40=-1,79=1/1,7 99/9=1/99 000155381 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 16 16 16 16 16 16 16 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 (Enter /mnt/data/applications/G09/g09/l101.exe) Initialization pass. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 1 1 2 2 3 3 4 5 6 6 7 7 8 8 8 9 9 9 10 10 11 11 14 15 16 16 17 17 18 18 20 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 14 23 15 24 20 25 12 13 21 26 19 32 10 12 14 11 12 15 13 16 13 18 19 20 17 27 19 22 21 28 21 29 30 31 36 37 38 33 34 35 39 40 41 42 43 44 1.3649 1.425 1.365 1.4251 1.3643 1.4253 1.2243 1.2247 1.3628 1.426 1.3646 0.9723 1.3965 1.4771 1.4001 1.3965 1.4772 1.4 1.4773 1.4 1.4772 1.4 1.3951 1.3952 1.395 1.0873 1.3936 1.4936 1.3952 1.0873 1.3934 1.0953 1.095 1.0951 1.0943 1.0951 1.0934 1.095 1.0944 1.0935 1.0947 1.0945 1.0934 1.0935 1.0946 1.0946 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 14 15 20 21 19 10 10 12 11 11 12 8 8 13 9 9 13 4 4 8 5 5 10 1 1 8 2 2 9 10 10 17 16 16 19 11 11 21 7 7 14 3 3 15 6 6 18 17 17 17 29 29 30 1 1 1 36 36 37 2 2 2 33 33 34 3 3 3 39 39 40 6 6 6 42 42 43 1 2 3 6 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 22 22 22 23 23 23 23 23 23 24 24 24 24 24 24 25 25 25 25 25 25 26 26 26 26 26 26 23 24 25 26 32 12 14 14 12 15 15 13 16 16 13 18 18 8 9 9 10 11 11 8 19 19 9 20 20 17 27 27 19 22 22 21 28 28 14 17 17 15 21 21 18 20 20 29 30 31 30 31 31 36 37 38 37 38 38 33 34 35 34 35 35 39 40 41 40 41 41 42 43 44 43 44 44 116.9368 116.9315 116.9545 117.0105 108.722 120.4814 119.9099 119.6087 120.475 119.9153 119.6097 120.4739 119.9216 119.6045 120.482 119.9191 119.5989 120.4669 120.4854 119.0477 120.4889 120.4709 119.04 122.4142 117.6018 119.984 122.4339 117.5833 119.9827 119.9811 120.3881 119.6308 120.1043 119.1485 120.7471 119.974 120.935 119.091 119.968 119.933 120.099 120.1733 119.7255 120.1011 119.3536 120.5385 120.1078 112.0152 110.3191 110.309 107.4591 107.4681 109.1609 110.1968 111.6691 108.2498 109.5213 108.5122 108.616 111.7621 109.8764 108.2828 109.6127 108.6779 108.5568 110.6726 110.6213 108.2407 110.0392 108.5997 108.5992 108.2619 110.5052 110.6374 108.6524 108.6421 110.078 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 23 23 14 14 14 24 24 15 15 15 25 25 20 20 20 26 26 21 21 21 32 32 12 12 14 14 10 10 14 14 10 10 12 12 12 12 15 15 11 11 15 15 11 11 12 12 8 8 16 16 8 8 13 13 9 9 18 18 9 9 13 13 1 1 8 8 2 2 9 9 10 10 27 27 16 16 22 22 16 16 16 19 19 19 11 11 28 28 3 3 15 15 1 1 1 1 1 2 2 2 2 2 3 3 3 3 3 6 6 6 6 6 7 7 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 17 17 17 17 17 17 18 18 18 18 20 20 20 20 14 14 23 23 23 15 15 24 24 24 20 20 25 25 25 21 21 26 26 26 19 19 10 10 10 10 12 12 12 12 14 14 14 14 11 11 11 11 12 12 12 12 15 15 15 15 13 13 13 13 16 16 16 16 13 13 13 13 18 18 18 18 19 19 19 19 20 20 20 20 17 17 17 17 19 19 19 19 22 22 22 22 22 22 21 21 21 21 21 21 21 21 8 19 36 37 38 9 20 33 34 35 15 21 39 40 41 18 20 42 43 44 14 17 13 16 13 16 4 9 4 9 1 19 1 19 13 18 13 18 4 8 4 8 2 20 2 20 5 11 5 11 17 27 17 27 5 10 5 10 21 28 21 28 7 17 7 17 3 21 3 21 19 22 19 22 7 14 7 14 29 30 31 29 30 31 6 20 6 20 6 18 6 18 90.0049 -89.9559 75.025 -46.9322 -166.4509 -90.0039 90.1166 45.2937 -76.6197 164.9664 89.9219 -89.9966 -60.8238 61.4051 -179.7246 89.9753 -90.0076 179.5106 -61.6092 60.5657 -4.9886 174.9747 -0.0067 -179.9911 179.9843 0.0 179.946 -0.0419 -0.045 179.967 -179.9557 0.0042 0.0354 179.9953 -0.0119 179.9807 179.9933 -0.0142 -179.9365 0.0514 0.0583 -179.9537 -179.8692 0.0075 0.1359 -179.9874 -179.7887 0.0463 0.1957 -179.9693 -0.0124 179.9928 -179.9969 0.0083 179.7982 -0.0368 -0.1944 179.9706 0.0144 179.9427 -179.9929 -0.0646 -0.0709 179.9659 179.9673 0.004 -0.0367 179.8815 -179.9193 -0.001 0.0207 179.991 -179.9845 -0.0142 -179.9798 -0.0165 0.0504 -179.9863 0.1407 119.7984 -119.5215 -179.8892 -60.2315 60.4486 -179.991 -0.008 0.0793 -179.9376 -0.0973 179.9199 179.9841 0.0013 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 225 264 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 44 44 44 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= 18528 NPrTT= 95866 LenC2= 15475 LenP2D= 48160. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 296 RedAO= T EigKep= 1.10D-04 NBF= 296 NBsUse= 296 1.00D-06 EigRej= -1.00D+00 NBFU= 296 Using GEDIIS/GDIIS optimizer. local minimum Step number 21 out of a maximum of 225 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00127 0.00420 0.00498 0.00774 0.00860 0.01359 0.01381 0.01413 0.01594 0.01651 0.01717 0.01804 0.01838 0.01877 0.01968 0.02023 0.02117 0.02124 0.02126 0.02146 0.02157 0.02167 0.02218 0.02348 0.02535 0.02976 0.03224 0.03522 0.03916 0.04075 0.05129 0.07203 0.07338 0.10110 0.10221 0.10321 0.10326 0.10826 0.10838 0.10870 0.10906 0.13521 0.15317 0.15800 0.15837 0.15939 0.15965 0.16002 0.16003 0.16010 0.16013 0.16018 0.16037 0.16050 0.16065 0.16084 0.16168 0.16484 0.16607 0.22691 0.23055 0.23303 0.23803 0.24122 0.24423 0.24641 0.24713 0.24828 0.24963 0.24967 0.24987 0.25028 0.25071 0.25379 0.25534 0.26246 0.27986 0.30067 0.32592 0.33081 0.33403 0.34017 0.34148 0.34175 0.34230 0.34236 0.34264 0.34287 0.34297 0.34323 0.34354 0.34382 0.34415 0.34427 0.34452 0.34503 0.34775 0.35104 0.35127 0.36106 0.38206 0.38706 0.39141 0.41218 0.41798 0.41877 0.42310 0.43280 0.44494 0.44980 0.45781 0.45983 0.46170 0.46455 0.47526 0.48840 0.49259 0.51604 0.52231 0.52518 0.53216 0.55039 0.59373 0.61598 0.89126 0.93460 RFO step: Lambda=-3.71448841D-08. 1 2 3 0.00121344 0.00000203 0.00000000 0.00000189 0.00000003 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 R38 R39 R40 R41 R42 R43 R44 R45 R46 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 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 2.67394 2.81537 2.65213 2.79851 2.66014 2.81097 2.40833 2.40876 2.63559 2.80077 2.62700 1.89411 2.71163 2.82971 2.68812 2.70349 2.82052 2.69787 2.81123 2.67572 2.82525 2.65948 2.70049 2.69623 2.65979 2.06888 2.67832 2.85447 2.66568 2.06632 2.69839 2.08258 2.08906 2.08918 2.09136 2.07726 2.08011 2.08381 2.09007 2.07940 2.08289 2.08945 2.07948 2.07863 2.09039 2.07932 2.05475 2.01800 2.01003 2.08234 1.85274 2.09410 2.04282 2.14627 2.09528 2.05665 2.13027 2.11510 2.11417 2.05386 2.11138 2.11297 2.05870 2.11762 2.11400 2.05109 2.11986 2.11079 2.05161 2.22704 1.94985 2.10125 2.13170 2.03755 2.10882 2.13387 2.04753 2.10160 2.03536 2.14944 2.09836 2.11260 2.08137 2.08911 2.06636 2.08064 2.13616 2.10596 2.08225 2.09475 2.02886 2.17568 2.07530 1.93921 1.93481 1.93812 1.89847 1.89741 1.85323 1.92182 1.90051 1.82724 1.94683 1.92765 1.93599 1.90763 1.92425 1.83607 1.94816 1.91909 1.92536 1.92128 1.91544 1.83469 1.93283 1.93445 1.92282 1.82348 1.91412 1.94140 1.91908 1.94396 1.91976 1.32648 -1.92387 0.90761 -1.23203 2.97975 -1.71170 1.53761 1.15872 -0.98886 -3.06454 1.16725 -1.99671 -1.04052 1.09111 -3.12464 2.43886 -0.79183 -3.12488 -1.06861 1.05898 -0.09039 3.05860 0.01141 3.14048 -3.13065 -0.00158 2.85478 -0.25404 -0.28633 2.88804 3.08423 0.05981 -0.05784 -3.08226 -0.14932 3.00988 3.03914 -0.08484 -2.78560 0.32330 0.30710 -2.86720 -2.99369 0.03586 0.19577 -3.05786 -3.02134 0.16592 0.13236 -2.96356 -0.04071 3.12141 3.08878 -0.03228 3.09075 -0.09627 -0.06792 3.02825 0.04470 -3.11255 -3.07979 0.04614 0.02660 -3.12265 3.06833 -0.08092 -0.07584 3.08828 -3.11122 0.05289 0.02214 -3.11086 -3.14060 0.00958 -3.11116 0.03815 0.02211 -3.11177 -0.00895 2.10432 -2.12314 3.14153 -1.02839 1.02734 3.10374 0.04585 -0.02213 -3.08001 0.01970 3.07000 3.13908 -0.09381 0.00004 0.00001 0.00001 0.00001 -0.00001 0.00003 0.00003 0.00003 -0.00002 -0.00003 -0.00004 0.00000 0.00001 0.00002 0.00000 0.00000 -0.00002 -0.00001 -0.00001 0.00000 0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 0.00000 0.00004 0.00001 0.00000 0.00000 0.00000 0.00001 0.00001 0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00001 0.00001 0.00000 -0.00004 -0.00001 -0.00002 0.00003 -0.00001 0.00000 0.00000 0.00000 0.00001 0.00001 -0.00002 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00002 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 0.00001 -0.00003 0.00003 0.00000 0.00000 0.00001 0.00000 0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00001 0.00000 0.00001 -0.00001 -0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00001 0.00001 -0.00001 0.00000 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0.00014 0.00005 0.00000 0.00001 0.00001 0.00001 -0.00003 0.00006 -0.00003 0.00007 0.00004 0.00005 0.00004 0.00004 -0.00006 -0.00009 -0.00001 -0.00004 -0.00004 -0.00005 0.00015 0.00013 0.00002 0.00000 0.00001 0.00000 -0.00003 0.00000 -0.00001 0.00002 0.00003 0.00002 0.00004 0.00001 0.00000 0.00002 0.00011 0.00015 0.00011 0.00014 -0.00020 -0.00025 -0.00019 -0.00023 0.00011 0.00001 0.00004 0.00001 -0.00001 0.00011 0.00005 0.00007 -0.00009 -0.00016 -0.00008 0.00003 0.00003 0.00005 0.00000 0.00005 -0.00008 -0.00001 -0.00007 0.00002 0.00001 -0.00001 0.00000 -0.00002 -0.00002 -0.00001 0.00001 0.00004 0.00003 0.00000 0.00007 0.00002 0.00000 0.00001 0.00000 0.00003 0.00003 0.00001 0.00001 0.00002 0.00001 0.00002 0.00001 0.00003 0.00001 -0.00002 -0.00012 0.00000 -0.00013 0.00034 -0.00012 0.00008 -0.00003 -0.00005 0.00003 -0.00003 0.00001 -0.00003 0.00001 0.00002 0.00001 0.00000 -0.00001 -0.00003 -0.00002 0.00005 -0.00002 -0.00006 0.00007 0.00001 -0.00003 0.00004 -0.00009 0.00002 0.00004 -0.00001 -0.00001 0.00002 0.00002 0.00000 -0.00002 0.00000 -0.00001 0.00001 0.00002 0.00001 -0.00003 -0.00006 0.00009 -0.00003 -0.00017 0.00018 -0.00002 -0.00001 0.00003 0.00002 -0.00002 -0.00002 0.00000 0.00001 -0.00004 -0.00001 0.00010 -0.00004 -0.00003 -0.00001 0.00002 -0.00004 0.00007 -0.00002 -0.00002 -0.00005 -0.00001 -0.00004 0.00006 -0.00001 0.00004 -0.00010 0.00018 0.00015 -0.00003 0.00002 -0.00021 -0.00019 -0.00002 -0.00035 -0.00046 -0.00040 -0.00031 -0.00004 0.00004 -0.00005 -0.00001 0.00040 0.00052 0.00010 0.00014 0.00016 0.00186 0.00180 0.00266 0.00266 0.00261 0.00018 0.00019 -0.00028 -0.00019 -0.00009 0.00000 0.00069 0.00072 0.00049 0.00052 0.00017 -0.00001 0.00037 0.00019 -0.00017 -0.00018 -0.00025 -0.00026 -0.00048 -0.00050 -0.00039 -0.00042 0.00055 0.00026 0.00046 0.00018 -0.00045 -0.00038 -0.00054 -0.00046 0.00001 0.00002 0.00010 0.00011 0.00067 0.00060 0.00068 0.00061 0.00000 0.00002 -0.00002 0.00000 -0.00013 -0.00014 0.00003 0.00001 -0.00016 -0.00028 0.00011 0.00000 -0.00001 -0.00006 -0.00002 -0.00007 -0.00002 0.00000 0.00003 0.00005 0.00016 0.00014 0.00018 0.00010 0.00009 0.00012 0.00022 0.00027 0.00021 0.00025 -0.00031 -0.00038 -0.00020 -0.00026 2.67405 2.81538 2.65217 2.79852 2.66012 2.81108 2.40838 2.40883 2.63550 2.80061 2.62692 1.89414 2.71166 2.82977 2.68812 2.70354 2.82044 2.69786 2.81116 2.67574 2.82526 2.65947 2.70049 2.69621 2.65977 2.06887 2.67833 2.85451 2.66571 2.06632 2.69845 2.08260 2.08907 2.08919 2.09136 2.07729 2.08014 2.08383 2.09008 2.07942 2.08290 2.08946 2.07949 2.07866 2.09040 2.07930 2.05463 2.01800 2.00990 2.08268 1.85262 2.09417 2.04279 2.14622 2.09531 2.05662 2.13027 2.11506 2.11418 2.05388 2.11139 2.11298 2.05869 2.11760 2.11398 2.05114 2.11984 2.11073 2.05169 2.22705 1.94981 2.10129 2.13161 2.03757 2.10886 2.13386 2.04752 2.10163 2.03538 2.14944 2.09834 2.11260 2.08135 2.08913 2.06638 2.08065 2.13613 2.10590 2.08234 2.09473 2.02869 2.17586 2.07528 1.93920 1.93483 1.93814 1.89845 1.89739 1.85323 1.92183 1.90047 1.82722 1.94693 1.92761 1.93596 1.90763 1.92427 1.83603 1.94823 1.91906 1.92534 1.92123 1.91543 1.83466 1.93289 1.93444 1.92285 1.82338 1.91430 1.94155 1.91905 1.94398 1.91955 1.32629 -1.92389 0.90726 -1.23249 2.97936 -1.71202 1.53756 1.15876 -0.98891 -3.06455 1.16765 -1.99619 -1.04042 1.09125 -3.12448 2.44072 -0.79003 -3.12222 -1.06595 1.06159 -0.09021 3.05880 0.01113 3.14029 -3.13074 -0.00158 2.85547 -0.25332 -0.28583 2.88856 3.08440 0.05980 -0.05747 -3.08207 -0.14949 3.00970 3.03889 -0.08511 -2.78607 0.32279 0.30671 -2.86761 -2.99314 0.03613 0.19623 -3.05769 -3.02179 0.16555 0.13182 -2.96403 -0.04070 3.12144 3.08888 -0.03216 3.09141 -0.09567 -0.06724 3.02886 0.04470 -3.11254 -3.07981 0.04614 0.02647 -3.12279 3.06835 -0.08091 -0.07600 3.08800 -3.11110 0.05289 0.02213 -3.11092 -3.14063 0.00950 -3.11118 0.03814 0.02214 -3.11172 -0.00880 2.10446 -2.12296 -3.14156 -1.02830 1.02747 3.10396 0.04612 -0.02192 -3.07976 0.01939 3.06962 3.13888 -0.09407 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000044 0.000010 0.009320 0.001213 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -7.081972e-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 R42 R43 R44 R45 R46 1 1 2 2 3 3 4 5 6 6 7 7 8 8 8 9 9 9 10 10 11 11 14 15 16 16 17 17 18 18 20 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 14 23 15 24 20 25 12 13 21 26 19 32 10 12 14 11 12 15 13 16 13 18 19 20 17 27 19 22 21 28 21 29 30 31 36 37 38 33 34 35 39 40 41 42 43 44 1.415 1.4898 1.4034 1.4809 1.4077 1.4875 1.2744 1.2747 1.3947 1.4821 1.3902 1.0023 1.4349 1.4974 1.4225 1.4306 1.4926 1.4277 1.4876 1.4159 1.4951 1.4073 1.429 1.4268 1.4075 1.0948 1.4173 1.5105 1.4106 1.0935 1.4279 1.1021 1.1055 1.1055 1.1067 1.0992 1.1007 1.1027 1.106 1.1004 1.1022 1.1057 1.1004 1.1 1.1062 1.1003 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 14 15 20 21 19 10 10 12 11 11 12 8 8 13 9 9 13 4 4 8 5 5 10 1 1 8 2 2 9 10 10 17 16 16 19 11 11 21 7 7 14 3 3 15 6 6 18 17 17 17 29 29 30 1 1 1 36 36 37 2 2 2 33 33 34 3 3 3 39 39 40 6 6 6 42 42 43 1 2 3 6 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 22 22 22 23 23 23 23 23 23 24 24 24 24 24 24 25 25 25 25 25 25 26 26 26 26 26 26 23 24 25 26 32 12 14 14 12 15 15 13 16 16 13 18 18 8 9 9 10 11 11 8 19 19 9 20 20 17 27 27 19 22 22 21 28 28 14 17 17 15 21 21 18 20 20 29 30 31 30 31 31 36 37 38 37 38 38 33 34 35 34 35 35 39 40 41 40 41 41 42 43 44 43 44 44 117.7287 115.6232 115.1664 119.3092 106.1541 119.9828 117.0451 122.972 120.0506 117.8373 122.0553 121.1861 121.133 117.6772 120.9732 121.0645 117.9549 121.3308 121.1233 117.5187 121.459 120.9395 117.5489 127.5998 111.7181 120.3928 122.1374 116.7433 120.8265 122.2617 117.3147 120.4131 116.6174 123.1538 120.2269 121.0431 119.2535 119.6974 118.3938 119.2121 122.3927 120.6626 119.3043 120.0206 116.245 124.6576 118.9058 111.1084 110.8563 111.0461 108.7745 108.7136 106.1822 110.1122 108.8912 104.6929 111.5452 110.4461 110.9242 109.2993 110.2515 105.1991 111.6214 109.9556 110.3148 110.0814 109.7468 105.1201 110.7432 110.8358 110.1692 104.4778 109.671 111.2339 109.9552 111.3806 109.9942 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 23 23 14 14 14 24 24 15 15 15 25 25 20 20 20 26 26 21 21 21 32 32 12 12 14 14 10 10 14 14 10 10 12 12 12 12 15 15 11 11 15 15 11 11 12 12 8 8 16 16 8 8 13 13 9 9 18 18 9 9 13 13 1 1 8 8 2 2 9 9 10 10 27 27 16 16 22 22 16 16 16 19 19 19 11 11 28 28 3 3 15 1 1 1 1 1 2 2 2 2 2 3 3 3 3 3 6 6 6 6 6 7 7 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 17 17 17 17 17 17 18 18 18 18 20 20 20 14 14 23 23 23 15 15 24 24 24 20 20 25 25 25 21 21 26 26 26 19 19 10 10 10 10 12 12 12 12 14 14 14 14 11 11 11 11 12 12 12 12 15 15 15 15 13 13 13 13 16 16 16 16 13 13 13 13 18 18 18 18 19 19 19 19 20 20 20 20 17 17 17 17 19 19 19 19 22 22 22 22 22 22 21 21 21 21 21 21 21 8 19 36 37 38 9 20 33 34 35 15 21 39 40 41 18 20 42 43 44 14 17 13 16 13 16 4 9 4 9 1 19 1 19 13 18 13 18 4 8 4 8 2 20 2 20 5 11 5 11 17 27 17 27 5 10 5 10 21 28 21 28 7 17 7 17 3 21 3 21 19 22 19 22 7 14 7 14 29 30 31 29 30 31 6 20 6 20 6 18 6 76.0017 -110.2297 52.0022 -70.5902 170.7272 -98.0733 88.0984 66.3898 -56.6577 -175.5852 66.8785 -114.4028 -59.6176 62.5163 -179.0288 139.7364 -45.3684 -179.0422 -61.2267 60.675 -5.1791 175.2451 0.6536 179.9361 -179.3729 -0.0904 163.5666 -14.5555 -16.4052 165.4726 176.7134 3.4268 -3.314 -176.6005 -8.5554 172.4536 174.1297 -4.8612 -159.6028 18.5235 17.5955 -164.2782 -171.5259 2.0549 11.2165 -175.2027 -173.11 9.5068 7.5835 -169.7997 -2.3326 178.8438 176.9743 -1.8493 177.0868 -5.5157 -3.8917 173.5058 2.5613 -178.336 -176.4592 2.6435 1.524 -178.9146 175.8021 -4.6364 -4.3452 176.9452 -178.2598 3.0306 1.2687 -178.2392 -179.9433 0.5488 -178.2564 2.1856 1.2668 -178.2912 -0.513 120.5686 -121.6467 -180.0039 -58.9223 58.8624 177.831 2.627 -1.2677 -176.4718 1.1286 175.8981 179.8558 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 340.19909999999976 AuxInfo=1/0/N:22,26,25,23,24,16,18,17,10,11,21,8,9,19,13,12,20,14,15,7,5,4,6,3,1,2/CRV:6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,21.1,22.1/rA:44OOOO1O1OOC3C3C3C3C3C3C3C3C3C3C3C3C3C3CCCCCHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;s8;s9;s4s8s9;s5s10s11;s1s8;s2s9;s10;s16;s11;s7s14s17;s3s15;s6s18s20;s17;s1;s2;s3;s6;s16;s18;s22;s22;s22;s7;s24;s24;s24;s23;s23;s23;s25;s25;s25;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 5.092648 0.000000 7.552867 2.713082 0.000000 2.547447 2.548267 5.048400 0.000000 5.999520 5.999509 6.337287 5.344020 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6.697107 8.721556 4.377451 5.037235 8.853194 1.390150 2.474372 5.012832 2.799304 5.184025 3.866941 4.284841 1.429039 6.301691 2.403604 1.417304 6.540977 0.000000 6.876371 2.409882 1.407683 4.340092 5.071056 2.499835 8.688991 5.031706 2.482245 5.199696 2.827476 3.859844 4.319093 6.327519 1.426785 6.554713 7.601194 2.444598 7.465671 0.000000 7.420814 3.725880 2.447077 5.131470 4.225514 1.394694 8.895510 5.227077 2.873535 4.998314 2.453140 4.361450 3.798872 6.623248 2.472508 6.231989 7.446367 1.410615 7.577772 1.427924 0.000000 4.882973 8.770595 10.378712 6.689459 5.196572 9.862264 2.857804 4.419880 6.712810 3.872501 6.371657 5.916736 5.047768 3.869223 8.102377 2.566741 1.510521 7.510745 2.538890 9.027654 8.776563 0.000000 1.489831 5.612657 8.178319 2.921339 6.905712 9.244646 3.552876 3.338780 5.018258 4.621458 5.930017 3.539657 5.789493 2.486668 5.826298 5.143674 4.691707 7.282240 3.415562 7.223582 7.857956 5.839118 0.000000 5.854162 1.480906 3.331807 3.049503 7.007347 5.623458 8.280766 5.141340 3.399457 6.060240 4.663653 3.649920 5.892717 5.962231 2.441379 7.440978 8.049814 5.106237 7.371151 3.241549 4.535943 9.558692 5.662277 0.000000 8.125149 2.983017 1.487502 5.675884 7.228613 3.911835 10.133397 6.765838 4.419815 7.147762 5.023074 5.516001 6.449005 7.865264 3.111633 8.467752 9.366425 4.659080 9.058941 2.444405 3.500161 10.783639 8.524716 3.778211 0.000000 9.748518 5.351822 2.916111 7.215025 6.287739 1.482104 11.330110 7.626952 5.203568 7.392366 4.855588 6.649187 6.108419 9.021048 4.452346 8.588551 9.849755 3.646366 10.008985 3.084632 2.483057 11.149392 10.019090 5.748296 4.045819 0.000000 5.310220 7.298315 8.307850 5.810872 2.434795 7.307394 4.588489 3.452619 4.912592 2.150844 4.109532 4.689978 2.632229 3.908131 6.293701 1.094803 2.177103 5.005130 3.410655 6.912014 6.368122 2.806185 6.209805 8.170960 8.896515 8.614533 0.000000 7.452427 5.316762 4.611289 5.787014 2.464005 2.586775 8.317274 4.947821 3.454099 4.142937 2.163381 4.691089 2.668335 6.333616 3.919310 5.046004 6.415899 1.093452 6.933235 3.437723 2.171124 7.542382 8.036289 6.178950 5.538786 3.895587 4.853272 0.000000 5.805428 9.213787 10.566845 7.312398 4.887293 9.744012 3.945277 4.942442 7.003342 4.094718 6.439764 6.408948 5.012984 4.659784 8.404622 2.681384 2.166844 7.434974 3.455997 9.189344 8.768596 1.102055 6.750514 10.050117 11.028490 11.063795 2.464483 7.306909 0.000000 5.053091 9.116167 10.803844 7.101819 5.914443 10.408601 2.820209 4.909435 7.206375 4.503025 6.952520 6.378679 5.707401 4.215102 8.541246 3.292926 2.166285 8.099210 2.848273 9.494857 9.313797 1.105485 6.155547 9.983679 11.067771 11.734119 3.576653 8.170864 1.794667 0.000000 5.054624 9.332417 11.056760 7.040612 5.920970 10.610277 2.838603 4.921708 7.321624 4.524365 7.055826 6.400310 5.748621 4.202907 8.718739 3.301042 2.168716 8.234348 2.850865 9.705048 9.494756 1.105547 5.791133 9.986748 11.523046 11.838276 3.583570 8.287103 1.794035 1.767922 0.000000 1.998926 7.321109 9.704450 4.854158 6.898093 10.293732 1.002320 3.783473 6.184191 4.556484 6.688530 4.819203 6.026711 2.369030 7.277677 4.328558 3.225510 8.084202 1.926784 8.587397 8.953080 3.844281 2.882889 7.841448 9.883092 11.364572 5.323904 8.614625 4.920991 3.767897 3.817065 0.000000 5.201839 2.118601 4.163837 2.413983 6.749453 6.077131 7.627774 4.616958 3.285978 5.615524 4.559127 3.193934 5.606676 5.343449 2.764628 6.950593 7.480456 5.207386 6.752743 3.781008 4.895625 8.976931 4.820637 1.102707 4.764377 6.281655 7.728387 6.242493 9.507393 9.460804 9.306865 7.185112 0.000000 6.826888 2.133132 2.845762 3.952301 7.220007 5.159290 9.180774 5.861815 3.831606 6.611874 4.885980 4.377541 6.220546 6.812723 2.709018 8.017969 8.755795 5.046255 8.193914 3.029932 4.264112 10.264222 6.602338 1.106018 3.561597 5.030403 8.649403 6.069685 10.673136 10.752636 10.703545 8.800128 1.827026 0.000000 6.140537 2.063577 3.952082 3.577278 7.969234 6.506585 8.671444 5.818927 4.291763 6.860179 5.619527 4.366896 6.815459 6.466982 3.324948 8.205956 8.695252 6.091844 7.889916 4.098430 5.468050 10.190581 5.906341 1.100372 4.050433 6.574316 8.997553 7.177017 10.755821 10.533148 10.604875 8.126691 1.804167 1.810842 0.000000 2.139694 6.411386 8.841248 3.646860 6.907880 9.660753 3.387654 3.629613 5.521142 4.698033 6.246443 4.078378 5.909157 2.727760 6.461508 5.020173 4.479650 7.599696 3.324729 7.806659 8.299199 5.488535 1.106700 6.405084 9.317121 10.444597 6.029226 8.253193 6.383606 5.923579 5.259833 2.904650 5.476974 7.259765 6.750224 0.000000 2.118582 4.751547 7.297886 2.110424 6.675827 8.500684 4.447946 3.220351 4.365931 4.558138 5.403435 2.974662 5.504413 2.838162 5.023159 5.347383 5.176864 6.682023 4.033614 6.408866 7.124585 6.466781 1.099237 4.650141 7.714800 9.169474 6.378309 7.507867 7.283873 6.867954 6.503261 3.856934 3.758274 5.560017 4.933335 1.823899 0.000000 2.064735 6.138638 8.821447 3.643652 7.943040 10.110285 3.967119 4.305592 5.880991 5.620480 6.887577 4.419302 6.807364 3.350672 6.551812 6.092431 5.508506 8.227260 4.145023 7.972133 8.718579 6.543529 1.100745 6.118286 9.041444 10.847940 7.173220 9.023181 7.523569 6.724121 6.447522 3.107419 5.329324 7.114353 6.172922 1.813152 1.812238 0.000000 7.347933 2.306042 2.133877 4.989982 7.286422 4.683089 9.458339 6.267596 4.130786 6.839200 4.994444 4.986339 6.361541 7.236568 2.850584 8.158831 8.923409 4.940850 8.473917 2.726690 3.985006 10.356502 7.741557 3.200036 1.102215 4.952524 8.705628 5.916591 10.701900 10.585853 11.064033 9.128456 4.195745 3.282377 3.298227 8.603306 6.958545 8.173461 0.000000 8.386809 3.656423 2.132272 6.153427 7.000299 3.700162 10.193195 6.887570 4.626694 7.105988 4.998653 5.800528 6.335100 8.010694 3.521310 8.342543 9.282800 4.519080 9.094046 2.744543 3.447786 10.634082 8.955740 4.683970 1.105688 4.079198 8.681953 5.274618 10.807413 10.868451 11.450818 10.018267 5.597146 4.547497 5.003717 9.734856 8.232294 9.505832 1.816785 0.000000 9.065222 3.778443 2.068212 6.542813 8.244919 4.505522 11.156396 7.797942 5.429301 8.212768 6.042143 6.495634 7.492306 8.877365 4.064263 9.546845 10.443632 5.591378 10.103891 3.330185 4.327113 11.870416 9.377709 4.270128 1.100413 4.302824 9.972880 6.427858 12.120761 12.157527 12.594879 10.866555 5.326161 3.881099 4.382226 10.186663 8.522288 9.842880 1.813455 1.809002 0.000000 10.726462 6.392378 3.865643 8.262366 6.837716 2.054678 12.200317 8.531972 6.167990 8.179856 5.677391 7.635370 6.823898 9.939587 5.478289 9.299099 10.604361 4.363538 10.859835 4.089822 3.340102 11.842575 11.048720 6.830601 4.809117 1.099964 9.221392 4.383549 11.676002 12.423360 12.564281 12.283151 7.380985 6.100622 7.628723 11.454541 10.223089 11.893326 5.795549 4.680337 4.961981 0.000000 9.675933 5.477645 3.344553 7.089733 6.259757 2.126980 11.275230 7.565043 5.219762 7.346898 4.881468 6.581931 6.083394 8.951451 4.563118 8.547214 9.803801 3.768553 9.952714 3.361945 2.789607 11.110687 9.804979 5.643470 4.681381 1.106187 8.583416 4.008502 11.032909 11.777243 11.715736 11.311058 6.032468 4.850019 6.540447 10.147724 8.919517 10.662868 5.472947 4.898093 4.937536 1.806682 0.000000 9.738509 4.913079 2.235056 7.096588 6.936277 2.142109 11.504525 7.803086 5.276322 7.752319 5.208778 6.681010 6.585388 9.149495 4.268764 9.023253 10.211391 4.161182 10.233111 2.891473 2.807123 11.569402 9.979405 5.251489 3.243323 1.100329 9.160529 4.623017 11.572623 12.097205 12.261539 11.448145 5.937401 4.484948 5.950916 10.501101 9.088542 10.727349 4.208309 3.423343 3.319170 1.817448 1.807411 0.000000 0.3819005 0.1229510 0.0972511 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= 284 284 284 284 284 MxSgAt= 44 MxSgA2= 44. 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 44 44 44 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 44 44 44 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 44 44 44 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 44 44 44 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 44 44 44 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 44 44 44 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 44 44 44 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 44 44 44 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 44 44 44 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 44 44 44 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 44 44 44 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 44 44 44 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 44 44 44 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 44 44 44 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 44 44 44 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 44 44 44 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 44 44 44 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 44 44 44 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 44 44 44 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 44 44 44 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= 18528 NPrTT= 95866 LenC2= 15311 LenP2D= 47510. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 296 RedAO= T EigKep= 1.40D-04 NBF= 296 NBsUse= 296 1.00D-06 EigRej= -1.00D+00 NBFU= 296 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= 282 283 283 283 283 MxSgAt= 44 MxSgA2= 44. 1 Closed 1 0 1 -1259.32393880046 -1259.45108384293 -0.127145042477 -1259.58338052281 -0.132296679873 -1258.78684042208 0.796540100726 -1259.66104978580 -0.874209363721 -1259.72611787314 -0.065068087341 -1259.73076519222 -0.004647319076 -1259.73124986827 -0.000484676049 -1259.73127040727 -0.000020539001 -1259.73128222310 -0.000011815828 -1259.73128400646 -0.000001783367 -1259.73114534501 0.000138661453 -1259.73114595097 -0.000000605957 -1259.73114552546 0.000000425511 -1259.73114614565 -0.000000620192 -1259.73114615582 -0.000000010170 -1259.73114615680 -0.000000000979 -1259.73114615706 -0.000000000256 -1259.73114615705 0.000000000009 -1259.73114615708 -0.000000000030 -1259.73114616 20 1.256117881964e+03 -7.732585686390e+03 2.824134755387e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=979471464. IVT= 285630 IEndB= 285630 NGot= 2818572288 MDV= 1852199713 LenX= 1852199713 LenY= 1852111656 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= 43956 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. 5.43618024e-02 7.29537218e-01 -1.21831598e+00 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 8 8 8 8 8 8 8 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.017345021 0.018090661 0.028545089 0.007254453 0.011975277 0.026720945 0.015335804 0.011254860 -0.031382005 -0.002634514 0.068959472 -0.001927590 0.002380823 -0.072242145 -0.003585800 0.021131674 -0.010600605 0.027815065 -0.023164695 -0.010217789 -0.002318449 0.007699299 0.007182416 -0.000223298 -0.012670894 0.006442831 -0.001083515 0.006060911 -0.009641845 0.000554434 0.003413560 -0.008710363 0.001265272 0.001558028 -0.041641370 -0.000331236 -0.004350112 0.045407699 0.002788953 0.011977433 -0.011782983 -0.004256422 -0.001347231 0.001111358 -0.003807964 0.000914567 0.001091656 -0.000333399 -0.008213356 -0.023787352 -0.000479180 -0.002715618 -0.007430334 -0.001600059 0.004030375 -0.003078609 0.001740553 0.002999560 -0.000640490 0.008154664 -0.016925824 -0.010344331 -0.004712889 -0.004990415 -0.002702894 -0.000131440 0.002979398 0.013557896 -0.017443806 0.001390393 0.011573041 -0.014672256 0.007984991 0.004528508 0.018901030 0.008966734 -0.002258108 -0.015453182 0.002713958 -0.003791767 -0.000176945 -0.002433690 -0.004599446 0.000091264 0.002957698 -0.004060301 -0.000222274 -0.007426414 0.002493988 0.002721808 -0.007656526 0.002477789 -0.002474346 0.002112175 0.020843216 0.004931978 -0.005939548 -0.002278874 -0.004829924 0.008109856 -0.001101068 -0.005095015 -0.002395077 0.003564605 0.003601992 -0.008292875 -0.000950820 -0.007774167 0.004931189 -0.001562129 -0.004113784 0.001948534 0.003576462 0.003178913 -0.005262296 0.004091650 0.005223379 0.001544754 -0.007071636 0.004992714 0.003749360 0.002464397 -0.003670225 0.003666072 -0.002329085 0.003418703 -0.005258600 -0.004582180 -0.006850625 0.001211106 0.006718744 -0.005696961 0.072242145 0.013673514 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -1259.77657683866 -1259.77660195389 -0.000025115227 -1259.77660051395 0.000001439939 -1259.77660219374 -0.000001679793 -1259.77660221766 -0.000000023917 -1259.77660222670 -0.000000009049 -1259.77660222824 -0.000000001535 -1259.77660222831 -0.000000000070 -1259.77660222833 -0.000000000020 -1259.77660223 9 1.253956746784e+03 -7.633083282800e+03 2.775846862644e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=979471464. IVT= 285630 IEndB= 285630 NGot= 2818572288 MDV= 1852199713 LenX= 1852199713 LenY= 1852111656 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= 43956 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. (Enter /mnt/data/applications/G09/g09/l716.exe) alpha 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V -18.802987 -18.802937 -18.797359 -18.796483 -18.783489 -18.757206 -18.751491 -10.000484 -9.989909 -9.984112 -9.982559 -9.982277 -9.982256 -9.979949 -9.947862 -9.945940 -9.945645 -9.939775 -9.939610 -9.934257 -9.933973 -9.933079 -9.928010 -9.917199 -9.917134 -9.896777 -0.997356 -0.983433 -0.968035 -0.961950 -0.954322 -0.946221 -0.944917 -0.804967 -0.793454 -0.738739 -0.711786 -0.703412 -0.695684 -0.655498 -0.654008 -0.638312 -0.632302 -0.627123 -0.603121 -0.580845 -0.561200 -0.549920 -0.519144 -0.510248 -0.495796 -0.482405 -0.468834 -0.459773 -0.450229 -0.439840 -0.434537 -0.432802 -0.427271 -0.420299 -0.409313 -0.404332 -0.402849 -0.396191 -0.391800 -0.388318 -0.387531 -0.381202 -0.378629 -0.375254 -0.364966 -0.360861 -0.354389 -0.351539 -0.347485 -0.341280 -0.334908 -0.330065 -0.319074 -0.312911 -0.310179 -0.305140 -0.296676 -0.282470 -0.263672 -0.253688 -0.250673 -0.232997 -0.228952 -0.221820 -0.211046 -0.210441 -0.205458 -0.200225 -0.128810 -0.087337 -0.050078 -0.044910 0.001520 0.004008 0.016535 0.021291 0.045392 0.053034 0.069022 0.079329 0.097464 0.101182 0.107523 0.109440 0.116539 0.119757 0.126578 0.129244 0.135550 0.144400 0.149485 0.152696 0.155585 0.158881 0.163134 0.167880 0.168396 0.169724 0.175684 0.176661 0.178228 0.182696 0.192625 0.195519 0.196108 0.204655 0.211238 0.216575 0.220058 0.224271 0.228944 0.234483 0.239890 0.242659 0.249757 0.253624 0.255237 0.259452 0.262476 0.271163 0.273088 0.280580 0.282472 0.289204 0.294373 0.300811 0.301611 0.309792 0.311262 0.315917 0.323455 0.325499 0.330906 0.335336 0.340030 0.350296 0.355557 0.358400 0.365837 0.373069 0.380843 0.388165 0.395314 0.396917 0.403249 0.410898 0.419111 0.426600 0.430369 0.437050 0.441971 0.443339 0.456468 0.463649 0.469727 0.480725 0.497065 0.502266 0.505927 0.513378 0.516697 0.530233 0.543542 0.555510 0.568620 0.570241 0.578198 0.593872 0.600801 0.613552 0.625221 0.636505 0.649710 0.664895 0.669962 0.680152 0.710602 0.729943 0.738009 0.747859 0.766076 0.770167 0.788310 0.803207 0.809960 0.814961 0.826639 0.854379 0.857871 0.870791 0.881907 0.883420 0.887243 0.894945 0.900253 0.908705 0.911373 0.925766 0.937414 0.948683 0.975008 0.979541 0.989603 0.999848 1.009860 1.021687 1.024483 1.045480 1.049858 1.059463 1.065580 1.067890 1.078701 1.088437 1.095119 1.103824 1.115895 1.120480 1.131448 1.136444 1.151792 1.154882 1.163537 1.166480 1.171033 1.175528 1.185961 1.196782 1.200808 1.208539 1.213865 1.230885 1.240121 1.261789 1.309095 1.379545 1.416175 1.644447 1.703474 1.724288 1.733781 1.741587 1.759689 1.784233 22.229121 22.426546 22.508076 22.513965 22.520952 22.524707 22.532946 22.570767 22.574389 22.604610 22.621375 22.635362 22.668540 22.695556 22.709556 22.725335 22.743791 22.796114 22.803792 41.512684 41.524201 41.534284 41.548056 41.557921 41.569948 41.582316 29.116421 29.117854 29.116915 29.117440 29.117140 29.116508 29.117152 15.954721 15.953985 15.955230 15.954464 15.954109 15.954862 15.954660 15.958478 15.958336 15.958245 15.958409 15.952253 15.951582 15.954354 15.951815 15.951887 15.952115 15.952846 15.955712 2.441251 2.408579 2.533038 2.633718 2.631803 2.662393 2.615821 1.630721 1.597041 1.653037 1.705360 1.787520 1.771617 1.685036 1.576771 1.618658 1.615808 1.660515 1.770857 1.752001 1.635163 1.700468 1.651826 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2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 19 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 20 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 21 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 22 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 23 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 24 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 25 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 26 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 27 H 1S 2S 28 H 1S 2S 29 H 1S 2S 30 H 1S 2S 31 H 1S 2S 32 H 1S 2S 33 H 1S 2S 34 H 1S 2S 35 H 1S 2S 36 H 1S 2S 37 H 1S 2S 38 H 1S 2S 39 H 1S 2S 40 H 1S 2S 41 H 1S 2S 42 H 1S 2S 43 H 1S 2S 44 H 1S 2S 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 1 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|2 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|3 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|4 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|5 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|6 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|7 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|8 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|9 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|10 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|11 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|12 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|13 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|14 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|15 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|16 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|17 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|18 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|19 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|20 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|21 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|22 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|23 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|24 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|25 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|26 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|27 H 1S|2S|28 H 1S|2S|29 H 1S|2S|30 H 1S|2S|31 H 1S|2S|32 H 1S|2S|33 H 1S|2S|34 H 1S|2S|35 H 1S|2S|36 H 1S|2S|37 H 1S|2S|38 H 1S|2S|39 H 1S|2S|40 H 1S|2S|41 H 1S|2S|42 H 1S|2S|43 H 1S|2S|44 H 1S|2S 1.13231 0.85946 0.93669 0.91522 1.33543 0.99283 1.09964 0.48525 0.21473 0.35842 1.13230 0.85945 0.93723 0.91686 1.37137 0.96719 1.09754 0.46279 0.18393 0.36070 1.13231 0.85944 0.93754 0.91703 1.10065 1.25792 1.07244 0.32279 0.39162 0.31165 1.13251 0.85916 0.97132 0.88084 1.35775 1.04305 0.96911 0.43746 0.21601 0.35491 1.13254 0.85915 0.97540 0.86785 1.34368 1.04685 0.97196 0.43425 0.21669 0.35592 1.13232 0.85941 0.94328 0.90114 1.00077 1.19913 1.23044 0.17841 0.39497 0.42863 1.13231 0.85942 0.94981 0.89962 1.12374 1.05297 1.27726 0.35935 0.24074 0.50702 1.17431 0.81371 0.74479 0.50192 0.89633 0.91605 0.80292 -0.07466 -0.25357 0.22489 1.17429 0.81370 0.74239 0.51664 0.90002 0.91289 0.81081 -0.04181 -0.25231 0.23040 1.17430 0.81373 0.74565 0.49704 0.91438 0.90390 0.80208 -0.01343 -0.33075 0.22225 1.17433 0.81369 0.74822 0.50012 0.91821 0.91224 0.78300 -0.04126 -0.38628 0.22302 1.17455 0.81363 0.78206 0.38910 0.92949 0.85143 0.70738 0.21486 0.08156 0.17257 1.17454 0.81360 0.78143 0.40448 0.93688 0.86135 0.69482 0.31943 0.07996 0.19346 1.17437 0.81381 0.75742 0.37241 0.93723 0.75795 0.85017 0.10886 0.00662 0.19278 1.17442 0.81372 0.76271 0.38412 0.94088 0.78050 0.80924 0.05929 -0.01830 0.18831 1.17436 0.81387 0.75081 0.59753 0.90567 0.96583 0.74546 0.21825 0.24244 0.21589 1.17437 0.81389 0.75488 0.40040 0.92242 0.89570 0.77223 -0.09715 -0.26028 0.20603 1.17432 0.81390 0.74909 0.60493 0.90308 0.97081 0.75758 0.21007 0.21587 0.21449 1.17442 0.81377 0.76836 0.39869 0.80461 0.92748 0.80946 0.11110 0.02334 0.19506 1.17438 0.81384 0.75852 0.38105 0.80581 0.89612 0.84465 0.03964 -0.00004 0.23183 1.17443 0.81383 0.76807 0.36162 0.84328 0.88289 0.80957 -0.06292 -0.04043 0.20345 1.17417 0.81431 0.72342 0.72740 0.88871 0.91803 0.93177 0.16655 0.21406 0.23018 1.17440 0.81426 0.74973 0.69901 1.00470 0.86264 0.75166 0.21427 0.14443 0.10315 1.17439 0.81427 0.74914 0.69189 0.97125 0.85709 0.79304 0.18300 0.15000 0.12881 1.17439 0.81429 0.74812 0.69889 0.97719 0.92740 0.71720 0.20236 0.17802 0.08441 1.17437 0.81430 0.74979 0.69298 0.75900 0.97919 0.88863 0.10534 0.19194 0.16057 0.50950 0.19435 0.50433 0.17905 0.51073 0.26318 0.50532 0.24873 0.50565 0.25140 0.46467 0.15075 0.50885 0.23725 0.51222 0.26169 0.51427 0.25804 0.51295 0.27361 0.50373 0.20553 0.51360 0.25590 0.50717 0.22167 0.51249 0.25963 0.51401 0.25779 0.51363 0.25178 0.51229 0.26743 0.50776 0.22720 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 O O O O O O O C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H -0.329991 -0.289371 -0.303392 -0.222133 -0.204286 -0.268499 -0.402240 0.253321 0.192982 0.270858 0.354715 -0.116631 -0.259953 0.028381 0.105104 -0.630114 0.417515 -0.614137 -0.026281 0.054186 0.246205 -0.788588 -0.518241 -0.512879 -0.522276 -0.516107 0.296154 0.316629 0.226087 0.245943 0.242958 0.384576 0.253896 0.226095 0.227697 0.213433 0.290746 0.230496 0.271156 0.227883 0.228197 0.234587 0.220280 0.265042 0.00000 6.52822290e-01 1.27014456e+00 -4.83318843e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 1.6593 3.2284 -1.2285 3.8321 -119.9901 -153.1677 -146.1962 1.3439 2.0214 -4.9482 19.7946 -13.3831 -6.4115 1.3439 2.0214 -4.9482 119.4888 96.7962 60.7758 -21.1898 18.4532 3.1320 21.0958 14.9393 9.1137 28.6214 -9417.0967 -3144.8556 -493.7457 -29.2304 151.7209 22.6371 -55.8490 127.4796 22.7489 -1915.9542 -1681.6500 -600.0768 60.7277 24.9029 -1.6652 0 -1259.7766022 9.515E-9 1.584E-5 14.7168038,-9.949998,-4.7668058,0.999188,1.5028494,-3.6788535 C01 [X(C19H18O7)] 0.6528223 1.2701446 -0.4833188 @ -0.000001015 0.000046936 0.000029035 -0.000019623 0.000007367 0.000018453 -0.000012668 -0.000008379 -0.000038868 0.000014139 0.000032667 -0.000010462 0.000000122 -0.000027722 0.000010450 0.000007552 0.000021516 -0.000024982 0.000031992 -0.000019308 -0.000002970 -0.000010935 0.000003046 -0.000002329 -0.000010295 0.000017467 0.000003311 0.000007314 -0.000014549 0.000008394 0.000004707 -0.000000573 0.000010993 0.000018678 -0.000024161 0.000008687 -0.000017358 0.000035135 -0.000009815 0.000002892 -0.000050536 -0.000006057 0.000019329 -0.000014159 -0.000023220 -0.000005423 -0.000006962 0.000000865 0.000022960 0.000010010 -0.000003174 -0.000002939 -0.000016072 0.000007647 -0.000042801 0.000038017 0.000003747 0.000013402 0.000030091 0.000006808 0.000009265 -0.000039574 -0.000005898 -0.000010745 0.000011127 0.000005589 -0.000002777 -0.000025198 -0.000030718 0.000003141 -0.000009030 -0.000019612 0.000000087 0.000001753 0.000043767 -0.000039296 -0.000007619 0.000031951 -0.000004801 0.000003459 0.000005657 -0.000000727 -0.000000899 0.000004554 -0.000000557 -0.000004916 0.000004630 -0.000001684 0.000001777 0.000005728 -0.000003572 0.000001134 0.000000506 0.000004948 0.000000684 -0.000002540 -0.000006313 -0.000001364 -0.000002572 0.000007971 -0.000001135 -0.000000133 0.000001040 0.000003785 -0.000001644 -0.000009970 0.000002219 0.000002058 0.000011927 0.000008350 0.000001508 0.000003574 0.000011589 -0.000003857 -0.000001488 0.000005587 -0.000008170 0.000004481 -0.000006320 -0.000003047 0.000002709 0.000003078 -0.000006234 0.000003081 -0.000011949 -0.000000482 0.000003156 -0.000002979 -0.000005130 0.000006520 -0.000003387 -0.000002424 340.19909999999976 AuxInfo=1/0/N:22,26,25,23,24,16,18,17,10,11,21,8,9,19,13,12,20,14,15,7,5,4,6,3,1,2/CRV:6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,21.1,22.1/rA:44OOOO1O1OOC3C3C3C3C3C3C3C3C3C3C3C3C3C3CCCCCHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;s8;s9;s4s8s9;s5s10s11;s1s8;s2s9;s10;s16;s11;s7s14s17;s3s15;s6s18s20;s17;s1;s2;s3;s6;s16;s18;s22;s22;s22;s7;s24;s24;s24;s23;s23;s23;s25;s25;s25;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2025 CBGUSER 000155381 EM64L-G09RevD.01 31-Aug-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 126 C1[X(C19H18O7)] RPBEPBE SDD Freq #pfreq=noraman PBEPBE/SDD 340.19909999999976 0 1 AuxInfo=1/0/N:22,26,25,23,24,16,18,17,10,11,21,8,9,19,13,12,20,14,15,7,5,4,6,3,1,2/CRV:6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,21.1,22.1/rA:44OOOO1O1OOC3C3C3C3C3C3C3C3C3C3C3C3C3C3CCCCCHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;s8;s9;s4s8s9;s5s10s11;s1s8;s2s9;s10;s16;s11;s7s14s17;s3s15;s6s18s20;s17;s1;s2;s3;s6;s16;s18;s22;s22;s22;s7;s24;s24;s24;s23;s23;s23;s25;s25;s25;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-25561.inp" -scrdir="/scratch/" chk=000155381-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 000155381 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 16 16 16 16 16 16 16 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 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| 0.000068 0.000019 0.015237 0.004728 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -9.254281e-07 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 2343.5031026520 296 696 296 94 94 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 44 44 44 1.00e+00 60 F 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 340.19909999999976 AuxInfo=1/0/N:22,26,25,23,24,16,18,17,10,11,21,8,9,19,13,12,20,14,15,7,5,4,6,3,1,2/CRV:6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,21.1,22.1/rA:44OOOO1O1OOC3C3C3C3C3C3C3C3C3C3C3C3C3C3CCCCCHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;s8;s9;s4s8s9;s5s10s11;s1s8;s2s9;s10;s16;s11;s7s14s17;s3s15;s6s18s20;s17;s1;s2;s3;s6;s16;s18;s22;s22;s22;s7;s24;s24;s24;s23;s23;s23;s25;s25;s25;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 5.419144 0.000000 7.912232 2.778115 0.000000 2.900597 2.775769 5.257241 0.000000 6.187759 6.133277 6.443800 5.460840 0.000000 8.803567 4.908937 2.911236 6.514085 5.000626 0.000000 2.615520 7.679891 9.888701 5.250176 6.400965 10.191245 0.000000 2.545952 4.418875 6.296834 2.418897 3.704809 6.559344 3.726779 0.000000 4.558949 2.477807 3.769568 2.412114 3.702880 4.265269 6.245023 2.556422 0.000000 3.792692 5.229437 6.573317 3.688300 2.411861 6.189705 4.188657 1.434930 2.923374 0.000000 5.355410 3.750357 4.234265 3.671505 2.412365 3.689543 6.534758 2.931423 1.430625 2.550606 0.000000 3.104478 2.977024 5.017400 1.274433 4.223116 5.752055 4.984835 1.497420 1.492558 2.539462 2.532385 0.000000 5.082323 5.012101 5.724014 4.202236 1.274659 4.864076 5.673763 2.546141 2.546245 1.487640 1.495058 2.953718 0.000000 1.414988 5.350303 7.521018 2.954088 4.847252 7.965537 2.421574 1.422491 3.873413 2.436949 4.349529 2.565976 3.818848 0.000000 5.501227 1.403447 2.462893 2.932566 4.859494 3.780253 7.456640 3.870052 1.427652 4.342172 2.447930 2.554950 3.830733 5.069482 0.000000 4.215451 6.606202 7.935187 4.887272 2.819723 7.324178 3.679786 2.482909 4.332477 1.415933 3.827338 3.846339 2.484903 2.814337 5.743766 0.000000 3.696028 7.274830 8.940881 5.207199 4.227050 8.606240 2.421656 2.909799 5.238037 2.472552 5.013120 4.406511 3.801752 2.494189 6.623961 1.407498 0.000000 6.746059 4.224142 3.726770 4.847155 2.815231 2.382223 7.903480 4.337893 2.470847 3.824252 1.407334 3.826851 2.487658 5.754095 2.825986 4.957916 6.242468 0.000000 2.353898 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5.141340 3.399457 6.060239 4.663653 3.649920 5.892717 5.962231 2.441379 7.440979 8.049815 5.106237 7.371151 3.241549 4.535943 9.558692 5.662278 0.000000 8.125149 2.983017 1.487502 5.675884 7.228613 3.911835 10.133397 6.765839 4.419815 7.147761 5.023074 5.516001 6.449005 7.865264 3.111633 8.467752 9.366425 4.659080 9.058941 2.444405 3.500160 10.783639 8.524715 3.778211 0.000000 9.748518 5.351822 2.916112 7.215025 6.287738 1.482104 11.330110 7.626952 5.203568 7.392365 4.855587 6.649187 6.108418 9.021048 4.452346 8.588550 9.849754 3.646365 10.008985 3.084631 2.483057 11.149391 10.019090 5.748296 4.045819 0.000000 5.310219 7.298315 8.307850 5.810872 2.434796 7.307394 4.588488 3.452618 4.912593 2.150844 4.109532 4.689978 2.632229 3.908131 6.293700 1.094802 2.177103 5.005130 3.410655 6.912014 6.368122 2.806184 6.209804 8.170960 8.896515 8.614532 0.000000 7.452427 5.316762 4.611289 5.787013 2.464005 2.586774 8.317274 4.947821 3.454099 4.142937 2.163381 4.691089 2.668336 6.333616 3.919310 5.046004 6.415899 1.093451 6.933235 3.437722 2.171124 7.542382 8.036288 6.178950 5.538786 3.895586 4.853272 0.000000 5.805427 9.213787 10.566845 7.312398 4.887293 9.744011 3.945277 4.942441 7.003343 4.094718 6.439764 6.408948 5.012984 4.659785 8.404622 2.681384 2.166844 7.434974 3.455997 9.189344 8.768596 1.102054 6.750514 10.050117 11.028490 11.063794 2.464483 7.306909 0.000000 5.053090 9.116167 10.803844 7.101819 5.914444 10.408601 2.820208 4.909434 7.206376 4.503026 6.952521 6.378679 5.707401 4.215103 8.541246 3.292926 2.166286 8.099211 2.848273 9.494857 9.313797 1.105485 6.155547 9.983680 11.067771 11.734119 3.576653 8.170864 1.794668 0.000000 5.054623 9.332417 11.056759 7.040612 5.920970 10.610276 2.838603 4.921708 7.321624 4.524365 7.055826 6.400309 5.748620 4.202907 8.718739 3.301041 2.168716 8.234348 2.850864 9.705048 9.494755 1.105548 5.791133 9.986748 11.523046 11.838276 3.583570 8.287104 1.794035 1.767923 0.000000 1.998926 7.321109 9.704450 4.854159 6.898093 10.293732 1.002320 3.783473 6.184192 4.556484 6.688531 4.819203 6.026711 2.369030 7.277677 4.328558 3.225510 8.084203 1.926783 8.587397 8.953079 3.844281 2.882889 7.841448 9.883093 11.364572 5.323903 8.614625 4.920990 3.767896 3.817065 0.000000 5.201839 2.118601 4.163836 2.413983 6.749453 6.077130 7.627775 4.616959 3.285978 5.615524 4.559127 3.193934 5.606676 5.343449 2.764628 6.950593 7.480456 5.207386 6.752743 3.781008 4.895625 8.976931 4.820637 1.102707 4.764377 6.281654 7.728386 6.242493 9.507393 9.460805 9.306864 7.185113 0.000000 6.826888 2.133132 2.845761 3.952301 7.220006 5.159289 9.180774 5.861815 3.831605 6.611873 4.885980 4.377541 6.220546 6.812722 2.709017 8.017969 8.755795 5.046255 8.193914 3.029932 4.264112 10.264222 6.602337 1.106017 3.561597 5.030403 8.649403 6.069684 10.673135 10.752635 10.703544 8.800128 1.827025 0.000000 6.140537 2.063578 3.952082 3.577278 7.969234 6.506585 8.671445 5.818928 4.291763 6.860179 5.619528 4.366897 6.815459 6.466981 3.324948 8.205956 8.695252 6.091844 7.889916 4.098431 5.468051 10.190581 5.906341 1.100372 4.050434 6.574317 8.997553 7.177017 10.755821 10.533148 10.604874 8.126691 1.804167 1.810843 0.000000 2.139694 6.411386 8.841247 3.646860 6.907880 9.660752 3.387654 3.629613 5.521142 4.698033 6.246443 4.078377 5.909156 2.727760 6.461508 5.020173 4.479651 7.599697 3.324729 7.806659 8.299198 5.488535 1.106700 6.405084 9.317121 10.444596 6.029225 8.253193 6.383606 5.923579 5.259833 2.904650 5.476974 7.259764 6.750224 0.000000 2.118582 4.751547 7.297886 2.110424 6.675826 8.500683 4.447946 3.220350 4.365931 4.558137 5.403435 2.974661 5.504412 2.838161 5.023159 5.347383 5.176864 6.682023 4.033613 6.408866 7.124585 6.466781 1.099237 4.650141 7.714800 9.169474 6.378308 7.507866 7.283872 6.867954 6.503260 3.856934 3.758274 5.560017 4.933334 1.823898 0.000000 2.064736 6.138638 8.821446 3.643652 7.943040 10.110285 3.967120 4.305592 5.880991 5.620480 6.887578 4.419301 6.807363 3.350672 6.551813 6.092431 5.508506 8.227260 4.145023 7.972133 8.718579 6.543530 1.100745 6.118286 9.041444 10.847940 7.173220 9.023181 7.523569 6.724121 6.447522 3.107419 5.329324 7.114353 6.172922 1.813152 1.812239 0.000000 7.347933 2.306042 2.133877 4.989981 7.286422 4.683089 9.458339 6.267596 4.130786 6.839200 4.994444 4.986339 6.361541 7.236567 2.850584 8.158832 8.923409 4.940850 8.473917 2.726691 3.985006 10.356502 7.741557 3.200035 1.102216 4.952525 8.705628 5.916591 10.701900 10.585853 11.064033 9.128457 4.195744 3.282377 3.298227 8.603306 6.958545 8.173461 0.000000 8.386809 3.656423 2.132273 6.153427 7.000299 3.700161 10.193195 6.887571 4.626693 7.105987 4.998653 5.800528 6.335100 8.010694 3.521310 8.342543 9.282800 4.519080 9.094046 2.744542 3.447786 10.634082 8.955740 4.683971 1.105688 4.079197 8.681953 5.274617 10.807413 10.868451 11.450818 10.018268 5.597146 4.547498 5.003718 9.734856 8.232294 9.505833 1.816786 0.000000 9.065222 3.778443 2.068213 6.542813 8.244919 4.505522 11.156397 7.797942 5.429301 8.212768 6.042144 6.495634 7.492307 8.877365 4.064264 9.546846 10.443633 5.591379 10.103892 3.330185 4.327113 11.870417 9.377709 4.270128 1.100414 4.302825 9.972881 6.427858 12.120761 12.157528 12.594879 10.866555 5.326161 3.881100 4.382227 10.186662 8.522288 9.842880 1.813455 1.809003 0.000000 10.726462 6.392378 3.865643 8.262366 6.837715 2.054679 12.200317 8.531973 6.167990 8.179856 5.677391 7.635370 6.823898 9.939587 5.478288 9.299099 10.604361 4.363537 10.859835 4.089822 3.340103 11.842575 11.048720 6.830601 4.809117 1.099964 9.221392 4.383549 11.676002 12.423361 12.564281 12.283152 7.380985 6.100622 7.628724 11.454541 10.223089 11.893326 5.795550 4.680337 4.961981 0.000000 9.675933 5.477645 3.344553 7.089733 6.259757 2.126980 11.275230 7.565044 5.219761 7.346897 4.881467 6.581931 6.083394 8.951451 4.563118 8.547214 9.803801 3.768553 9.952714 3.361944 2.789607 11.110687 9.804978 5.643470 4.681381 1.106187 8.583416 4.008502 11.032908 11.777243 11.715735 11.311058 6.032468 4.850019 6.540447 10.147724 8.919516 10.662867 5.472947 4.898093 4.937535 1.806682 0.000000 9.738510 4.913080 2.235057 7.096588 6.936277 2.142109 11.504525 7.803087 5.276322 7.752318 5.208778 6.681011 6.585389 9.149495 4.268764 9.023253 10.211391 4.161182 10.233111 2.891473 2.807124 11.569403 9.979405 5.251490 3.243323 1.100329 9.160530 4.623017 11.572623 12.097206 12.261539 11.448145 5.937401 4.484949 5.950917 10.501101 9.088542 10.727350 4.208310 3.423342 3.319170 1.817448 1.807411 0.000000 C19H18O7 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 340.19909999999976 AuxInfo=1/0/N:22,26,25,23,24,16,18,17,10,11,21,8,9,19,13,12,20,14,15,7,5,4,6,3,1,2/CRV:6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,21.1,22.1/rA:44OOOO1O1OOC3C3C3C3C3C3C3C3C3C3C3C3C3C3CCCCCHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;s8;s9;s4s8s9;s5s10s11;s1s8;s2s9;s10;s16;s11;s7s14s17;s3s15;s6s18s20;s17;s1;s2;s3;s6;s16;s18;s22;s22;s22;s7;s24;s24;s24;s23;s23;s23;s25;s25;s25;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3819005 0.1229510 0.0972511 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= 18528 NPrTT= 95866 LenC2= 15311 LenP2D= 47510. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 296 RedAO= T EigKep= 1.40D-04 NBF= 296 NBsUse= 296 1.00D-06 EigRej= -1.00D+00 NBFU= 296 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= 282 283 283 283 283 MxSgAt= 44 MxSgA2= 44. 1 Closed 1 0 1 -1259.39147385684 -1259.42732647595 -0.035852619107 -1259.23358580913 0.193740666815 -1257.72716056893 1.506425240204 -1257.72729015848 -0.000129589554 -1256.97629144860 0.750998709881 -1257.68061464293 -0.704323194332 -1245.12010358993 12.560511052999 -1257.25606818414 -12.135964594205 -1259.67228466669 -2.416216482554 -1259.62704781249 0.045236854196 -1259.47710197708 0.149945835411 -1259.76376318365 -0.286661206565 -1259.77615454881 -0.012391365161 -1259.77641719147 -0.000262642658 -1259.77654794964 -0.000130758169 -1259.77657030376 -0.000022354126 -1259.77657439085 -0.000004087090 -1259.77657508307 -0.000000692217 -1259.77657541302 -0.000000329952 -1259.77657548190 -0.000000068879 -1259.77657548771 -0.000000005813 -1259.77657548903 -0.000000001319 -1259.77657548907 -0.000000000041 -1259.77657548921 -0.000000000131 -1259.77657549 25 1.253956888928e+03 -7.633083708320e+03 2.775847141251e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. IVT= 285526 IEndB= 285526 NGot= 939524096 MDV= 939343123 LenX= 939343123 LenY= 939255066 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= 44. Will process 45 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111111111111111111111 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= 939523356 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= 710000000 NMat= 135 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= 135 NMatS0= 135 NMatT0= 0 NMatD0= 135 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. There are 135 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 132 vectors produced by pass 0 Test12= 1.90D-14 1.00D-09 XBig12= 1.25D+03 1.76D+01. AX will form 132 AO Fock derivatives at one time. 132 vectors produced by pass 1 Test12= 1.90D-14 1.00D-09 XBig12= 5.34D+02 3.55D+00. 132 vectors produced by pass 2 Test12= 1.90D-14 1.00D-09 XBig12= 1.77D+00 8.51D-02. 132 vectors produced by pass 3 Test12= 1.90D-14 1.00D-09 XBig12= 1.20D-03 2.28D-03. 99 vectors produced by pass 4 Test12= 1.90D-14 1.00D-09 XBig12= 1.74D-07 2.75D-05. 17 vectors produced by pass 5 Test12= 1.90D-14 1.00D-09 XBig12= 2.89D-11 3.73D-07. 2 vectors produced by pass 6 Test12= 1.90D-14 1.00D-09 XBig12= 8.70D-15 1.04D-08. InvSVY: IOpt=1 It= 1 EMax= 1.08D-14 Solved reduced A of dimension 646 with 135 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 269.84 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 409.870 -7.194 276.083 -5.082 2.660 123.560 743.170 -63.521 687.787 -21.856 19.996 204.664 (Enter /mnt/data/applications/G09/g09/l716.exe) PT7638S 2017-08-31T21:25:12.000+02:00 -18.80299 -18.80294 -18.79735 -18.79648 -18.78349 -18.75720 -18.75149 -10.00048 -9.98991 -9.98411 -9.98256 -9.98228 -9.98225 -9.97994 -9.94786 -9.94594 -9.94564 -9.93978 -9.93961 -9.93425 -9.93397 -9.93308 -9.92801 -9.91719 -9.91713 -9.89678 -0.99735 -0.98343 -0.96803 -0.96195 -0.95432 -0.94622 -0.94492 -0.80497 -0.79345 -0.73874 -0.71178 -0.70341 -0.69568 -0.65550 -0.65401 -0.63831 -0.63230 -0.62712 -0.60312 -0.58084 -0.56120 -0.54992 -0.51914 -0.51025 -0.49580 -0.48240 -0.46883 -0.45977 -0.45023 -0.43984 -0.43454 -0.43280 -0.42727 -0.42030 -0.40931 -0.40433 -0.40285 -0.39619 -0.39180 -0.38832 -0.38753 -0.38120 -0.37863 -0.37525 -0.36497 -0.36086 -0.35439 -0.35154 -0.34748 -0.34128 -0.33491 -0.33006 -0.31907 -0.31291 -0.31018 -0.30514 -0.29667 -0.28247 -0.26367 -0.25369 -0.25067 -0.23300 -0.22895 -0.22182 -0.21105 -0.21044 -0.20546 -0.20022 -0.12881 -0.08734 -0.05007 -0.04491 0.00152 0.00401 0.01654 0.02130 0.04540 0.05304 0.06902 0.07933 0.09746 0.10118 0.10752 0.10944 0.11654 0.11976 0.12658 0.12925 0.13555 0.14441 0.14949 0.15270 0.15559 0.15889 0.16313 0.16788 0.16840 0.16973 0.17569 0.17666 0.17823 0.18270 0.19263 0.19552 0.19611 0.20466 0.21124 0.21658 0.22007 0.22428 0.22894 0.23449 0.23990 0.24266 0.24976 0.25363 0.25524 0.25946 0.26248 0.27117 0.27310 0.28058 0.28247 0.28921 0.29437 0.30082 0.30161 0.30980 0.31126 0.31592 0.32346 0.32550 0.33090 0.33534 0.34003 0.35029 0.35556 0.35840 0.36584 0.37307 0.38085 0.38817 0.39532 0.39692 0.40325 0.41090 0.41911 0.42661 0.43039 0.43707 0.44197 0.44336 0.45649 0.46365 0.46973 0.48074 0.49707 0.50228 0.50593 0.51339 0.51670 0.53024 0.54355 0.55552 0.56863 0.57024 0.57820 0.59388 0.60081 0.61357 0.62522 0.63651 0.64971 0.66489 0.66996 0.68016 0.71060 0.72995 0.73801 0.74786 0.76608 0.77018 0.78831 0.80322 0.80997 0.81497 0.82664 0.85438 0.85787 0.87079 0.88191 0.88342 0.88725 0.89494 0.90026 0.90871 0.91138 0.92577 0.93742 0.94869 0.97502 0.97954 0.98960 0.99985 1.00986 1.02170 1.02449 1.04548 1.04986 1.05948 1.06559 1.06789 1.07871 1.08844 1.09512 1.10382 1.11590 1.12048 1.13145 1.13645 1.15181 1.15489 1.16354 1.16648 1.17104 1.17553 1.18597 1.19680 1.20081 1.20856 1.21386 1.23089 1.24011 1.26180 1.30910 1.37954 1.41617 1.64445 1.70348 1.72429 1.73378 1.74159 1.75969 1.78424 22.22912 22.42655 22.50808 22.51396 22.52095 22.52471 22.53295 22.57077 22.57439 22.60461 22.62138 22.63536 22.66854 22.69556 22.70956 22.72534 22.74379 22.79612 22.80379 41.51268 41.52420 41.53429 41.54806 41.55792 41.56995 41.58232 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 O O O O O O O C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H -0.329981 -0.289412 -0.303413 -0.222152 -0.204281 -0.268508 -0.402242 0.253356 0.192920 0.270857 0.354793 -0.116560 -0.260012 0.028357 0.105101 -0.630164 0.417523 -0.614193 -0.026267 0.054221 0.246270 -0.788593 -0.518233 -0.512836 -0.522252 -0.516119 0.296166 0.316635 0.226085 0.245949 0.242961 0.384573 0.253882 0.226078 0.227696 0.213431 0.290745 0.230495 0.271147 0.227884 0.228188 0.234589 0.220275 0.265045 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 O O O O O O O C C C C C C C C C C C C C C C C C C C -0.329981 -0.289412 -0.303413 -0.222152 -0.204281 -0.268508 -0.017669 0.253356 0.192920 0.270857 0.354793 -0.116560 -0.260012 0.028357 0.105101 -0.333998 0.417523 -0.297558 -0.026267 0.054221 0.246270 -0.073598 0.216438 0.194819 0.204967 0.203790 0.00000 6.42413043e-01 1.28903783e+00 -4.46005233e-01 4.09870432e+02 -7.19443447e+00 2.76083197e+02 -5.08212419e+00 2.65955742e+00 1.23560170e+02 -7.1597 -1.5748 -0.0008 -0.0004 0.0004 5.1635 27.4904 31.7179 49.7286 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 27.4673 31.6043 49.7181 56.0483 74.8905 87.5794 94.9354 95.6624 101.3193 114.1674 121.0790 125.3623 142.8054 143.4832 157.7656 166.5262 170.2994 195.1250 207.2270 218.7757 226.1725 238.1669 271.4978 280.5044 297.8669 311.4066 320.7178 328.3825 348.4192 358.6576 372.9887 392.8363 414.7257 431.1180 464.7112 485.7957 510.1294 525.5541 567.6817 571.6754 583.1149 612.2405 628.4325 652.9584 674.0686 682.0558 699.3198 729.8324 758.7997 774.5038 789.7270 819.5142 839.0593 852.4699 870.6304 913.9812 929.9387 942.4696 948.1471 991.7331 1006.4226 1020.1447 1050.3231 1062.4702 1075.5142 1102.6029 1108.4789 1109.9005 1110.6239 1136.8784 1151.6744 1153.1933 1155.0776 1157.9579 1180.6282 1195.5705 1207.2043 1246.5220 1267.7134 1299.5122 1316.2581 1361.9369 1370.9558 1398.1657 1401.5367 1406.1170 1411.6778 1425.8879 1429.8770 1436.7476 1444.5593 1448.5362 1449.9066 1456.2735 1456.4835 1457.9770 1459.1542 1470.2032 1475.6066 1481.5467 1485.3871 1492.4778 1524.0109 1535.4048 1553.5577 1577.3327 1590.2931 1615.6560 2980.7632 2981.2148 2984.8685 2986.4440 2987.4142 3063.2304 3089.7436 3093.5512 3098.5255 3100.5561 3101.9930 3127.0684 3130.7316 3139.1289 3140.4286 3152.6984 3172.8065 3383.2802 5.9208 4.2813 2.6265 2.6767 3.9249 2.9533 1.3410 1.9460 2.8966 2.1027 3.0988 4.9117 1.3547 1.2283 2.6888 1.2498 1.9974 4.3416 5.0570 4.0653 3.8867 4.7077 4.1631 5.2011 6.3212 6.2604 7.1117 6.4870 6.0091 8.7758 5.9507 6.5983 6.1780 7.7065 10.7439 6.9410 7.3552 6.7800 5.3263 7.3486 4.7352 5.3696 6.3591 6.7761 8.4606 1.1157 5.7230 6.5427 6.8227 6.7682 7.8290 7.2653 5.6784 6.6561 8.2874 8.3435 1.4430 7.0621 1.5970 2.2483 6.7560 3.3793 1.5451 5.8576 3.0390 1.2574 1.2542 1.2441 1.2468 3.0014 1.3609 1.3669 1.5035 1.6726 1.5567 4.5260 1.9547 5.0904 2.1287 3.8348 7.1063 5.6351 4.5075 1.4720 1.9254 2.2325 1.7266 1.3357 1.7744 1.3967 1.9904 1.2438 3.7195 1.0792 1.0499 1.0911 1.1906 1.2720 1.0572 1.0548 1.0550 1.0568 8.6836 8.5322 8.0382 7.4028 7.5100 7.2737 1.0324 1.0315 1.0309 1.0370 1.0339 1.0965 1.1033 1.1024 1.0981 1.0986 1.1002 1.1036 1.1048 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