Gaussian 09 GINC-KIMIK2035 CBGUSER 000269458 EM64L-G09RevD.01 28-Feb-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 228.16199999999986 0 1 AuxInfo=1/0/N:8,18,6,16,5,15,17,12,13,7,14,10,11,9,4,3,2,1/CRV:6.3,7.3,8.3,9.3,11.3,12.3,13.3,14.3,15.2,17.1/rA:38OO1NN2CCCCC3C3C3C3C3C3C3CC3CHHHHHHHHHHHHHHHHHHHH/rB:;;s3;;s5;s5;s6;s2s3s7;;s1s10;s10;s11;s4s10;s12;s1;s13s15;s16;s5;s5;s6;s6;s7;s7;s8;s8;s8;s3;s12;s13;s14;s16;s16;s15;s17;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-21037.inp" -scrdir="/scratch/" chk=000269458.chk nprocshared=4 mem=7GB #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 000269458 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 16 16 14 14 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 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 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 2 2 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 (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 1 1 2 3 3 3 4 5 5 5 5 6 6 6 7 7 7 8 8 8 10 10 10 11 12 12 13 13 14 15 15 16 16 16 17 18 18 18 11 16 9 4 9 28 14 6 7 19 20 8 21 22 9 23 24 25 26 27 11 12 14 13 15 29 17 30 31 17 34 18 32 33 35 36 37 38 1.3759 1.4649 1.2055 1.3724 1.4323 1.025 1.3068 1.5333 1.5347 1.1094 1.1094 1.5267 1.1077 1.1077 1.5198 1.109 1.109 1.0965 1.0965 1.0957 1.4229 1.4004 1.4696 1.3987 1.4004 1.0958 1.4 1.0838 1.1033 1.3948 1.0877 1.5159 1.1035 1.1035 1.0901 1.0962 1.0989 1.0989 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 11 4 4 9 3 6 6 6 7 7 19 5 5 5 8 8 21 5 5 5 9 9 23 6 6 6 25 25 26 2 2 3 11 11 12 1 1 10 10 10 15 11 11 17 4 4 10 12 12 17 1 1 1 18 18 32 13 13 15 16 16 16 36 36 37 1 3 3 3 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 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 16 16 16 17 17 17 18 18 18 18 18 18 16 9 28 28 14 7 19 20 19 20 20 8 21 22 21 22 22 9 23 24 23 24 24 25 26 27 26 27 27 3 7 7 12 14 14 10 13 13 15 29 29 17 30 30 10 31 31 17 34 34 18 32 33 32 33 33 15 35 35 36 37 38 37 38 38 118.297 118.3651 121.1004 120.5345 118.9526 111.4932 110.4174 110.4176 109.6927 109.6927 104.9238 111.325 110.0665 110.0663 109.6437 109.6438 105.9531 110.3061 109.7596 109.7598 110.3174 110.3173 106.3025 111.658 111.658 111.2465 107.2064 107.4161 107.416 123.1228 125.454 111.4232 117.903 119.2855 122.8115 113.5889 124.7595 121.6516 120.852 119.1847 119.9633 118.758 121.625 119.6171 119.0466 126.341 114.6123 120.1457 119.5952 120.2591 103.1058 108.3405 108.3401 112.8665 112.8662 110.8531 120.6897 119.3062 120.0041 111.3006 111.304 111.3045 108.0118 108.0118 106.7091 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 16 16 11 11 11 9 28 4 4 28 28 3 3 7 7 7 19 19 19 20 20 20 6 6 6 19 19 19 20 20 20 5 5 5 21 21 21 22 22 22 5 5 23 23 24 24 12 12 14 14 11 11 14 14 11 11 12 12 1 1 10 10 10 10 29 29 11 11 30 30 12 12 34 34 1 1 1 32 32 32 33 33 33 1 1 1 1 1 3 3 3 3 3 3 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 10 10 10 10 10 10 10 10 10 10 10 10 11 11 11 11 12 12 12 12 13 13 13 13 15 15 15 15 16 16 16 16 16 16 16 16 16 11 11 16 16 16 4 4 9 9 9 9 14 14 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 11 11 11 11 12 12 12 12 14 14 14 14 13 13 13 13 15 15 15 15 17 17 17 17 17 17 17 17 18 18 18 18 18 18 18 18 18 10 13 18 32 33 14 14 2 7 2 7 10 31 8 21 22 8 21 22 8 21 22 9 23 24 9 23 24 9 23 24 25 26 27 25 26 27 25 26 27 2 3 2 3 2 3 1 13 1 13 15 29 15 29 4 31 4 31 17 30 17 30 17 34 17 34 15 35 15 35 13 35 13 35 36 37 38 36 37 38 36 37 38 179.9919 -0.0093 -179.9978 -60.1626 60.1676 179.996 0.0116 -0.0077 179.9911 179.9768 -0.0244 179.9962 -0.004 179.9988 58.209 -58.2116 -57.7917 -179.5815 63.9979 57.7892 -64.0005 179.5789 -179.9969 58.2461 -58.2398 57.3771 -64.38 179.1341 -57.3706 -179.1277 64.3864 -60.0058 60.0042 179.9992 62.0291 -177.9609 -57.9659 177.9595 -62.0305 57.9645 0.0091 -179.9897 121.4354 -58.5634 -121.4173 58.5839 179.9966 -0.0023 -0.0041 179.9971 0.0009 -179.9986 -179.9984 0.0021 179.9682 -0.0316 -0.0325 179.9678 -179.9967 0.0029 0.002 -179.9984 0.0007 -179.9986 -179.9998 0.0009 -0.0003 179.9997 -180.0 0.0001 -0.001 179.999 179.9983 -0.0017 -179.9963 -59.4475 59.4545 63.3358 -176.1154 -57.2134 -63.3291 57.2197 176.1217 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 196 228 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 38 38 38 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= 11026 NPrTT= 55716 LenC2= 8795 LenP2D= 27533. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 220 RedAO= T EigKep= 6.41D-04 NBF= 220 NBsUse= 220 1.00D-06 EigRej= -1.00D+00 NBFU= 220 Using GEDIIS/GDIIS optimizer. local minimum Step number 6 out of a maximum of 196 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00306 0.00325 0.00412 0.00502 0.00556 0.00833 0.01169 0.01265 0.01386 0.01660 0.01704 0.01806 0.01911 0.01982 0.02010 0.02084 0.02090 0.02097 0.02115 0.02118 0.02133 0.02911 0.03450 0.03492 0.03536 0.04257 0.04737 0.04831 0.05272 0.05450 0.05490 0.05570 0.05625 0.05788 0.05828 0.08311 0.08329 0.09162 0.10910 0.12190 0.12200 0.12988 0.13486 0.14315 0.15150 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16008 0.16033 0.16188 0.20248 0.21329 0.21879 0.21903 0.21996 0.22005 0.22135 0.22618 0.22866 0.24278 0.24996 0.25000 0.25055 0.26316 0.28794 0.29090 0.29283 0.29831 0.30625 0.31491 0.32591 0.32664 0.32725 0.32735 0.32838 0.32847 0.33185 0.33288 0.33297 0.33806 0.33902 0.33919 0.33945 0.34069 0.34159 0.34202 0.34470 0.34830 0.35055 0.35372 0.36087 0.37473 0.41415 0.41740 0.43351 0.44151 0.45651 0.45913 0.47714 0.49468 0.52237 0.65547 0.86460 RFO step: Lambda=-5.45011742D-07. 1 2 0.00102686 0.00000064 0.00000041 0.00000026 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 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 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 2.65732 2.79050 2.37421 2.61424 2.66392 1.95239 2.49312 2.91884 2.91135 2.09071 2.09069 2.91779 2.09736 2.09730 2.90796 2.09824 2.09821 2.09020 2.09020 2.08903 2.70448 2.68608 2.76976 2.67496 2.66025 2.06868 2.66895 2.06633 2.08946 2.67418 2.06866 2.88421 2.09600 2.09595 2.07050 2.08840 2.08498 2.08499 2.06195 2.12024 2.09905 2.06389 2.03942 1.96252 1.91968 1.91972 1.90541 1.90595 1.84691 1.96400 1.91170 1.91129 1.90910 1.90939 1.85516 1.96204 1.91625 1.91660 1.90516 1.90514 1.85555 1.93648 1.93655 1.94610 1.87709 1.88247 1.88244 2.15397 2.16862 1.96060 2.06790 2.09163 2.12366 2.02081 2.15828 2.10409 2.11378 2.05158 2.11783 2.08884 2.11005 2.08430 2.10179 2.14558 2.03582 2.08845 2.09649 2.09824 1.86519 1.90819 1.90793 1.94260 1.94280 1.89661 2.10330 2.08231 2.09757 1.91961 1.93250 1.93243 1.89226 1.89221 1.89378 -3.13963 0.00176 3.14015 -1.03859 1.03561 3.14108 -0.00040 0.00013 3.14097 -3.14157 -0.00073 -3.14131 -0.00028 3.14136 1.01384 -1.01422 -1.01436 3.14130 1.11324 1.01319 -1.11433 3.14079 3.13640 1.01202 -1.02218 1.00085 -1.12353 3.12545 -1.01082 -3.13519 1.11379 -1.04273 1.04291 -3.14150 1.08626 -3.11128 -1.01251 3.11178 -1.08577 1.01301 -0.00145 3.14090 2.12922 -1.01161 -2.13257 1.00979 -3.14156 0.00023 0.00047 -3.14093 -0.00007 -3.14150 3.14107 -0.00035 3.14094 -0.00012 -0.00020 -3.14126 3.14159 -0.00018 -0.00022 3.14120 -0.00010 -3.14159 3.14132 -0.00017 0.00005 -3.14148 -3.14137 0.00029 0.00011 -3.14155 -3.14158 -0.00006 3.14116 -1.05102 1.05026 1.05884 -3.13334 -1.03206 -1.05990 1.03111 3.13239 -0.00002 -0.00001 -0.00024 0.00033 0.00010 -0.00004 0.00002 -0.00001 0.00003 0.00001 0.00002 -0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00004 0.00004 0.00004 0.00002 0.00001 0.00008 0.00009 0.00010 0.00000 0.00010 0.00000 0.00001 0.00003 0.00002 0.00001 0.00000 0.00000 0.00003 -0.00001 0.00005 0.00005 0.00018 -0.00004 -0.00001 0.00005 0.00021 0.00000 0.00001 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00002 -0.00001 -0.00002 0.00000 0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00001 -0.00001 -0.00001 0.00005 -0.00004 0.00001 -0.00005 0.00004 -0.00005 0.00005 0.00000 0.00001 0.00002 -0.00003 0.00000 -0.00001 0.00001 0.00004 0.00004 -0.00007 0.00000 0.00001 -0.00001 0.00000 0.00001 0.00001 -0.00001 -0.00001 0.00001 -0.00002 0.00004 -0.00002 0.00003 0.00000 0.00000 -0.00001 -0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00001 0.00001 0.00000 0.00000 -0.00001 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 0.00000 -0.00001 0.00001 -0.00001 -0.00001 0.00001 0.00000 -0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00002 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 0.00001 -0.00001 0.00000 0.00000 -0.00001 0.00000 0.00001 -0.00001 -0.00005 0.00018 -0.00018 -0.00014 0.00043 0.00002 -0.00005 0.00001 0.00002 0.00002 0.00002 0.00000 0.00002 0.00002 -0.00001 0.00000 0.00000 0.00006 0.00006 0.00006 0.00008 -0.00007 0.00008 0.00006 0.00015 0.00000 0.00012 0.00006 0.00003 0.00001 0.00004 -0.00002 0.00000 0.00000 0.00003 0.00001 0.00005 0.00005 -0.00002 -0.00009 0.00019 -0.00010 0.00019 0.00001 -0.00002 -0.00001 -0.00002 -0.00002 0.00005 0.00004 -0.00003 -0.00003 0.00001 0.00001 0.00000 0.00007 0.00001 0.00001 -0.00009 -0.00008 0.00007 0.00000 0.00000 -0.00001 0.00001 -0.00001 -0.00001 -0.00008 0.00034 -0.00026 0.00004 -0.00012 0.00007 0.00003 0.00006 -0.00009 0.00004 0.00004 -0.00007 0.00008 -0.00005 -0.00003 0.00005 0.00002 -0.00007 -0.00003 -0.00006 0.00009 -0.00004 -0.00004 -0.00005 0.00005 0.00005 0.00003 -0.00005 -0.00002 0.00007 -0.00004 -0.00001 -0.00001 0.00003 0.00003 0.00001 -0.00003 -0.00003 0.00003 0.00004 0.00002 -0.00003 0.00002 -0.00016 0.00021 -0.00020 0.00017 -0.00002 0.00000 0.00002 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-0.00003 -0.00003 -0.00024 0.00009 0.00013 -0.00003 -0.00015 0.00008 0.00000 0.00002 -0.00030 0.00017 -0.00032 0.00015 -0.00022 0.00016 -0.00007 -0.00012 -0.00004 -0.00001 -0.00007 0.00002 -0.00013 -0.00019 -0.00010 -0.00036 -0.00048 -0.00011 -0.00048 -0.00060 -0.00022 -0.00029 -0.00041 -0.00003 -0.00002 0.00002 0.00000 0.00003 0.00007 0.00005 -0.00002 0.00002 0.00000 -0.00064 -0.00112 -0.00069 -0.00116 -0.00071 -0.00118 0.00004 -0.00001 0.00003 -0.00001 -0.00002 0.00001 -0.00001 0.00002 0.00021 -0.00014 0.00021 -0.00015 -0.00003 -0.00001 0.00002 0.00004 0.00003 0.00001 0.00000 -0.00002 -0.00001 0.00000 -0.00003 -0.00002 -0.00002 -0.00002 0.00000 0.00000 -0.00008 0.00009 -0.00024 -0.00004 0.00014 -0.00020 -0.00012 0.00005 -0.00028 2.65715 2.79042 2.37380 2.61481 2.66426 1.95226 2.49306 2.91876 2.91145 2.09076 2.09076 2.91771 2.09739 2.09733 2.90797 2.09826 2.09824 2.09028 2.09028 2.08911 2.70452 2.68606 2.77004 2.67510 2.66048 2.06866 2.66916 2.06632 2.08947 2.67420 2.06872 2.88419 2.09599 2.09594 2.07058 2.08835 2.08511 2.08512 2.06264 2.11993 2.09896 2.06430 2.04013 1.96254 1.91977 1.91975 1.90539 1.90596 1.84675 1.96400 1.91172 1.91128 1.90914 1.90943 1.85509 1.96214 1.91609 1.91648 1.90529 1.90536 1.85537 1.93652 1.93659 1.94618 1.87708 1.88239 1.88236 2.15395 2.16883 1.96040 2.06787 2.09144 2.12388 2.02058 2.15845 2.10416 2.11379 2.05177 2.11762 2.08882 2.11001 2.08436 2.10188 2.14596 2.03535 2.08849 2.09654 2.09816 1.86508 1.90824 1.90799 1.94253 1.94274 1.89675 2.10324 2.08253 2.09742 1.91996 1.93248 1.93240 1.89223 1.89218 1.89355 -3.13954 0.00189 3.14012 -1.03874 1.03569 3.14109 -0.00038 -0.00017 3.14113 3.14130 -0.00058 -3.14153 -0.00012 3.14129 1.01372 -1.01426 -1.01437 3.14124 1.11326 1.01305 -1.11452 3.14069 3.13603 1.01154 -1.02229 1.00037 -1.12412 3.12523 -1.01110 -3.13560 1.11376 -1.04275 1.04293 -3.14150 1.08629 -3.11122 -1.01246 3.11176 -1.08575 1.01300 -0.00210 3.13979 2.12853 -1.01277 -2.13328 1.00861 -3.14152 0.00022 0.00050 -3.14094 -0.00009 -3.14149 3.14106 -0.00034 3.14115 -0.00026 0.00001 -3.14141 3.14155 -0.00019 -0.00020 3.14124 -0.00007 -3.14158 3.14133 -0.00019 0.00004 -3.14148 -3.14140 0.00027 0.00009 -3.14157 -3.14158 -0.00006 3.14108 -1.05092 1.05002 1.05880 -3.13320 -1.03226 -1.06002 1.03117 3.13211 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000329 0.000043 0.003218 0.001027 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -4.923048e-07 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 1 1 2 3 3 3 4 5 5 5 5 6 6 6 7 7 7 8 8 8 10 10 10 11 12 12 13 13 14 15 15 16 16 16 17 18 18 18 11 16 9 4 9 28 14 6 7 19 20 8 21 22 9 23 24 25 26 27 11 12 14 13 15 29 17 30 31 17 34 18 32 33 35 36 37 38 1.4062 1.4767 1.2564 1.3834 1.4097 1.0332 1.3193 1.5446 1.5406 1.1064 1.1063 1.544 1.1099 1.1098 1.5388 1.1103 1.1103 1.1061 1.1061 1.1055 1.4311 1.4214 1.4657 1.4155 1.4077 1.0947 1.4123 1.0935 1.1057 1.4151 1.0947 1.5263 1.1092 1.1091 1.0957 1.1051 1.1033 1.1033 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0002|-DE/DX = 0.0003|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0001|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 11 4 4 9 3 6 6 6 7 7 19 5 5 5 8 8 21 5 5 5 9 9 23 6 6 6 25 25 26 2 2 3 11 11 12 1 1 10 10 10 15 11 11 17 4 4 10 12 12 17 1 1 1 18 18 32 13 13 15 16 16 16 36 36 37 1 3 3 3 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 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 16 16 16 17 17 17 18 18 18 18 18 18 16 9 28 28 14 7 19 20 19 20 20 8 21 22 21 22 22 9 23 24 23 24 24 25 26 27 26 27 27 3 7 7 12 14 14 10 13 13 15 29 29 17 30 30 10 31 31 17 34 34 18 32 33 32 33 33 15 35 35 36 37 38 37 38 38 118.141 121.4811 120.2665 118.2524 116.8504 112.4441 109.9898 109.9916 109.172 109.2027 105.82 112.5292 109.5325 109.5091 109.3835 109.4001 106.2929 112.4163 109.7929 109.8133 109.1577 109.1567 106.3149 110.9523 110.9564 111.5031 107.5494 107.8576 107.8557 123.4135 124.2525 112.334 118.4819 119.8415 121.6766 115.7837 123.6606 120.5557 121.1107 117.5466 121.3427 119.682 120.8967 119.4213 120.4235 122.9326 116.6439 119.6595 120.1202 120.2203 106.8676 109.3311 109.3166 111.3029 111.3144 108.6679 120.5103 119.3078 120.1819 109.9856 110.7243 110.7201 108.4186 108.4157 108.5058 -DE/DX = 0.0002|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0002|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 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 16 16 11 11 11 9 28 4 4 28 28 3 3 7 7 7 19 19 19 20 20 20 6 6 6 19 19 19 20 20 20 5 5 5 21 21 21 22 22 22 5 5 23 23 24 24 12 12 14 14 11 11 14 14 11 11 12 12 1 1 10 10 10 10 29 29 11 11 30 30 12 12 34 34 1 1 1 32 32 32 33 33 1 1 1 1 1 3 3 3 3 3 3 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 10 10 10 10 10 10 10 10 10 10 10 10 11 11 11 11 12 12 12 12 13 13 13 13 15 15 15 15 16 16 16 16 16 16 16 16 11 11 16 16 16 4 4 9 9 9 9 14 14 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 11 11 11 11 12 12 12 12 14 14 14 14 13 13 13 13 15 15 15 15 17 17 17 17 17 17 17 17 18 18 18 18 18 18 18 18 10 13 18 32 33 14 14 2 7 2 7 10 31 8 21 22 8 21 22 8 21 22 9 23 24 9 23 24 9 23 24 25 26 27 25 26 27 25 26 27 2 3 2 3 2 3 1 13 1 13 15 29 15 29 4 31 4 31 17 30 17 30 17 34 17 34 15 35 15 35 13 35 13 35 36 37 38 36 37 38 36 37 -179.8876 0.1009 179.9176 -59.5065 59.336 179.9709 -0.0229 0.0075 179.9642 180.0013 -0.042 -179.9837 -0.0162 179.9867 58.0888 -58.1108 -58.1186 179.9835 63.784 58.0514 -63.8466 179.9539 179.7023 57.9847 -58.5667 57.3444 -64.3733 179.0753 -57.9156 -179.6333 63.8154 -59.7441 59.7542 -179.9948 62.2383 -178.2635 -58.0124 178.2916 -62.2101 58.041 -0.0833 179.9604 121.9953 -57.961 -122.1873 57.8565 -179.9981 0.013 0.0271 -179.9618 -0.004 -179.9945 179.9703 -0.0202 179.9626 -0.0069 -0.0114 -179.9809 179.9996 -0.0105 -0.0124 179.9775 -0.0055 -179.9999 179.9846 -0.0097 0.0027 -179.9934 -179.9874 0.0166 0.0062 -179.9977 -179.9994 -0.0034 179.9752 -60.2188 60.1755 60.6669 -179.5271 -59.1328 -60.7275 59.0785 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0 228.16199999999986 AuxInfo=1/0/N:8,18,6,16,5,15,17,12,13,7,14,10,11,9,4,3,2,1/CRV:6.3,7.3,8.3,9.3,11.3,12.3,13.3,14.3,15.2,17.1/rA:38OO1NN2CCCCC3C3C3C3C3C3C3CC3CHHHHHHHHHHHHHHHHHHHH/rB:;;s3;;s5;s5;s6;s2s3s7;;s1s10;s10;s11;s4s10;s12;s1;s13s15;s16;s5;s5;s6;s6;s7;s7;s8;s8;s8;s3;s12;s13;s14;s16;s16;s15;s17;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 6.746949 0.000000 4.823593 2.322004 0.000000 3.999147 2.750159 1.372381 0.000000 8.595987 2.789385 3.784291 4.913398 0.000000 9.665580 4.312477 4.974414 6.225180 1.533342 0.000000 7.164274 2.426621 2.439543 3.720672 1.534683 2.535896 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7.690747 9.979870 6.306129 9.027127 10.309426 10.082797 10.446493 0.000000 8.905949 2.775935 4.092558 5.133618 1.106347 2.185907 2.172266 2.805002 2.782620 7.524748 8.784715 7.697015 9.983677 6.309620 9.033542 10.309801 10.088019 10.445067 1.765050 0.000000 9.583714 4.837152 5.147132 6.471541 2.182630 1.109873 2.795757 2.180216 4.231071 8.778944 9.825419 9.300180 11.163992 7.376292 10.697119 10.835318 11.551209 10.605873 3.100324 2.545259 0.000000 9.582562 4.831497 5.144678 6.467664 2.182305 1.109843 2.795551 2.180408 4.227672 8.775183 9.822653 9.294876 11.160679 7.373418 10.691562 10.835333 11.546611 10.607791 2.544452 3.100090 1.776152 0.000000 7.057000 3.185382 2.701389 4.025029 2.182855 2.798147 1.110340 4.237667 2.173081 6.247958 7.266631 6.862231 8.605913 4.840165 8.260181 8.347831 9.036364 8.250018 2.537171 3.093017 3.122700 2.569815 0.000000 7.055158 3.186332 2.700587 4.024721 2.183109 2.803063 1.110328 4.240914 2.173060 6.247253 7.265343 6.862160 8.604655 4.839243 8.259989 8.345109 9.035603 8.246563 3.092880 2.534150 2.575401 3.130229 1.777170 0.000000 11.349710 5.291413 6.561092 7.697692 2.832877 2.197465 4.265407 1.106086 5.285949 10.103298 11.331852 10.301214 12.564920 8.836788 11.635925 12.710379 12.697091 12.688250 3.163055 2.617481 2.545993 3.106817 4.802173 4.461779 0.000000 11.349208 5.286777 6.559642 7.694945 2.833021 2.197519 4.265667 1.106088 5.283718 10.100553 11.329962 10.296977 12.562504 8.834887 11.631378 12.710850 12.693460 12.690264 2.618176 3.162406 3.106722 2.546107 4.461136 4.805328 1.784559 0.000000 11.846177 6.333536 7.207662 8.473925 3.533427 2.203948 4.762032 1.105466 6.068525 10.864253 11.999350 11.229148 13.304445 9.504192 12.606254 13.133692 13.575899 12.933988 3.823169 3.822770 2.526730 2.527153 4.924751 4.929444 1.787567 1.787546 0.000000 4.646265 3.247786 1.033162 2.102849 4.057009 5.004732 2.535998 6.456797 2.105581 3.980658 4.886635 4.847148 6.261785 2.516173 6.224875 5.975717 6.822860 6.020007 4.476265 4.476942 5.001797 5.001485 2.521864 2.520027 6.765919 6.766113 7.202550 0.000000 4.560075 4.230202 3.860409 2.531366 6.966870 8.429050 6.018145 9.487306 4.510736 2.158238 3.432097 1.094697 3.923183 2.711505 2.187072 5.876758 3.443011 6.962231 6.891635 6.899108 8.693867 8.687721 6.371791 6.372280 9.486038 9.480965 10.497662 4.629657 0.000000 2.766181 8.596139 6.995534 5.857868 10.796889 11.984833 9.426769 13.342332 8.274364 3.467944 2.188367 3.922120 1.093455 4.692876 3.440016 2.567071 2.169701 4.083089 10.940967 10.944053 11.997522 11.994860 9.433511 9.431894 13.506189 13.504342 14.187217 7.052800 5.016602 0.000000 2.352022 4.758784 2.563600 2.132892 6.284644 7.307913 4.803964 8.744019 3.972598 2.196433 2.685630 3.487684 4.098049 1.105695 4.659227 3.738792 4.896255 4.065675 6.591587 6.593133 7.277778 7.276651 4.749313 4.747577 9.008220 9.007769 9.507429 2.305522 3.803029 4.795557 0.000000 2.120170 8.845851 6.848865 6.043236 10.581367 11.558989 9.099049 13.017291 8.232910 4.091487 2.757018 5.107333 2.831254 4.746540 5.151019 1.109154 4.177566 2.188539 10.780609 10.927790 11.524568 11.384569 8.869845 9.045924 13.341023 13.220171 13.739828 6.591222 6.103258 2.322664 4.351937 0.000000 2.119965 8.842405 6.846135 6.040501 10.578058 11.557155 9.096256 13.014879 8.229768 4.089344 2.755573 5.104895 2.830035 4.744268 5.148770 1.109127 4.175842 2.188664 10.923135 10.777207 11.383811 11.523266 9.046238 8.864731 13.216885 13.338222 13.738266 6.588914 6.100594 2.322463 4.350048 1.802196 0.000000 5.330433 6.691087 6.321168 4.948516 9.476393 10.950742 8.542230 11.975449 7.037213 3.453472 3.926448 2.174105 3.446235 4.693276 1.094690 6.219151 2.181815 7.622406 9.354332 9.361739 11.210261 11.203840 8.860741 8.860907 11.934207 11.928748 13.000884 6.986361 2.526519 4.341546 5.622929 6.176142 6.173800 0.000000 4.651157 8.523752 7.534780 6.188721 11.116463 12.485654 9.951424 13.678912 8.567164 3.938122 3.434481 3.435122 2.170289 5.403683 2.182210 4.946437 1.095663 6.470866 11.108640 11.114046 12.628960 12.624143 10.119794 10.119020 13.724899 13.721026 14.635652 7.918508 4.354872 2.485811 5.971511 4.690723 4.689323 2.516943 0.000000 3.383967 9.927192 7.671199 7.234210 11.135370 11.851291 9.595541 13.380493 9.069035 5.785766 4.605402 7.038903 5.016992 5.959746 7.316789 2.168815 6.425385 1.105132 11.531140 11.529211 11.616650 11.619112 9.300033 9.296259 13.744485 13.746970 13.949626 7.107871 7.938945 4.493006 5.169476 2.533156 2.533706 8.386010 6.967943 0.000000 2.667027 8.555902 6.275820 5.975304 9.641636 10.338420 8.109233 11.863163 7.646522 4.901280 4.006321 6.249859 4.811003 4.781087 6.794101 2.176830 6.175742 1.103323 10.133109 9.974085 10.031961 10.191602 7.913731 7.706469 12.168236 12.301186 12.430899 5.663910 7.017358 4.631143 3.893117 3.105824 2.533449 7.880172 6.917259 1.791409 0.000000 2.666607 8.558492 6.277823 5.977138 9.644291 10.339531 8.111394 11.864862 7.648922 4.902335 4.006766 6.251161 4.811397 4.782450 6.795266 2.176780 6.176537 1.103328 9.979313 10.134651 10.189519 10.034594 7.711810 7.912019 12.301188 12.172945 12.431706 5.665620 7.018907 4.631138 3.894293 2.533570 3.105865 7.881470 6.917952 1.791380 1.790926 0.000000 0.7797705 0.1247461 0.1079834 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= 207 207 207 207 207 MxSgAt= 38 MxSgA2= 38. 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 38 38 38 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 38 38 38 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 38 38 38 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 38 38 38 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 38 38 38 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= 11026 NPrTT= 55716 LenC2= 8741 LenP2D= 27293. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 220 RedAO= T EigKep= 6.83D-04 NBF= 220 NBsUse= 220 1.00D-06 EigRej= -1.00D+00 NBFU= 220 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 206 207 207 207 207 MxSgAt= 38 MxSgA2= 38. 1 Closed 1 0 1 -803.935054122840 -803.863246540638 0.071807582202 -804.210968401101 -0.347721860463 -804.269704687154 -0.058736286052 -804.342941748968 -0.073237061814 -804.347185015294 -0.004243266327 -804.348295566818 -0.001110551523 -804.348415336740 -0.000119769922 -804.348440352845 -0.000025016105 -804.348487555984 -0.000047203139 -804.348487173567 0.000000382417 -804.348487927912 -0.000000754345 -804.348487965209 -0.000000037297 -804.348488002218 -0.000000037009 -804.348488004979 -0.000000002761 -804.348488005144 -0.000000000164 -804.348488005155 -0.000000000011 -804.348488005 17 8.010656149198e+02 -4.289838882785e+03 1.476839811975e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=301063491. IVT= 166466 IEndB= 166466 NGot= 939524096 MDV= 643857426 LenX= 643857426 LenY= 643808585 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= 24310 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. 8.62472735e-01 2.17285328e+00 3.75194806e-02 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 8 8 7 7 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 -0.000450768 0.011738322 0.000094919 -0.003702378 -0.071070633 -0.000679918 -0.005659049 -0.011279212 -0.000223335 -0.003344190 -0.003650433 -0.000104274 0.000110426 -0.000753866 -0.000047220 0.000428082 0.000586935 0.000054006 -0.006616652 0.000344308 -0.000127669 -0.005980367 0.001310160 -0.000132809 0.016724632 0.075233383 0.001006884 -0.004259365 0.005264248 -0.000043725 -0.009181396 -0.004707612 -0.000241342 -0.008344326 -0.012840773 -0.000285035 0.003843582 0.001630388 0.000102876 0.013253067 -0.000530937 0.000296907 -0.005544866 -0.009670401 -0.000202898 -0.009603723 0.001304099 -0.000224667 0.012220921 -0.003674417 0.000236998 0.002684368 0.008533214 0.000130425 0.000038247 0.002154482 -0.000520658 -0.000017110 0.002154344 0.000571237 0.000603537 0.000320924 -0.001359960 0.000583730 0.000289357 0.001386457 0.000931175 -0.000177149 0.000365212 0.000964771 -0.000176664 -0.000346210 0.000739288 -0.003328161 -0.005335093 0.000475799 -0.003404216 0.005318677 -0.005947588 0.003581107 -0.000105628 -0.001864790 0.005489028 0.000007734 -0.000568419 0.002523031 0.000002572 0.005378428 0.003839164 0.000145980 -0.005625819 0.001311920 -0.000130332 0.004794136 0.001660748 0.000999875 0.004807594 0.001644765 -0.000749806 0.000382084 -0.004948499 -0.000027611 0.003549779 -0.001866509 0.000068196 0.004723560 0.003914655 0.000132512 -0.000175417 -0.001346043 -0.004004693 -0.000350982 -0.001403052 0.003971418 0.075233383 0.010630009 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 0 1 -804.357714840769 -804.357925350281 -0.000210509512 -804.357923919892 0.000001430389 -804.357926141281 -0.000002221389 -804.358017446689 -0.000091305408 -804.358017581367 -0.000000134678 -804.358017588942 -0.000000007575 -804.358017671448 -0.000000082507 -804.358017685944 -0.000000014496 -804.358017686442 -0.000000000498 -804.358017686501 -0.000000000059 -804.358017686486 0.000000000015 -804.358017686 12 8.003539940801e+02 -4.260940721480e+03 1.462756771555e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=301063491. IVT= 166466 IEndB= 166466 NGot= 939524096 MDV= 643857426 LenX= 643857426 LenY= 643808585 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= 24310 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. 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 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 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0.76253 0.14838 -0.01856 -0.01444 0.05008 -0.04054 0.03069 0.19482 -0.00344 0.31172 -0.09098 0.34376 0.10134 0.08029 0.08008 0.04279 0.03653 -0.05320 0.03686 -0.00332 0.01405 -0.02470 0.00133 -0.08172 -0.02881 -0.00475 -0.01193 0.00605 -0.01203 -0.12933 0.00005 -0.00530 0.00054 -0.00003 -0.00353 0.00071 0.00193 -0.00031 -0.00414 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 N 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 4 N 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 H 1S 2S 20 H 1S 2S 21 H 1S 2S 22 H 1S 2S 23 H 1S 2S 24 H 1S 2S 25 H 1S 2S 26 H 1S 2S 27 H 1S 2S 28 H 1S 2S 29 H 1S 2S 30 H 1S 2S 31 H 1S 2S 32 H 1S 2S 33 H 1S 2S 34 H 1S 2S 35 H 1S 2S 36 H 1S 2S 37 H 1S 2S 38 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 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 N 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|4 N 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 H 1S|2S|20 H 1S|2S|21 H 1S|2S|22 H 1S|2S|23 H 1S|2S|24 H 1S|2S|25 H 1S|2S|26 H 1S|2S|27 H 1S|2S|28 H 1S|2S|29 H 1S|2S|30 H 1S|2S|31 H 1S|2S|32 H 1S|2S|33 H 1S|2S|34 H 1S|2S|35 H 1S|2S|36 H 1S|2S|37 H 1S|2S|38 H 1S|2S 1.13232 0.85937 0.94164 0.91057 1.13096 0.99290 1.30824 0.33524 0.20592 0.47452 1.13254 0.85916 0.97888 0.84926 1.32287 1.04491 1.00457 0.44743 0.20547 0.36681 1.15924 0.83101 0.83517 0.73581 0.93423 0.96216 1.18385 0.09751 0.17128 0.47986 1.15990 0.83010 0.90132 0.77659 0.85806 1.14214 0.86200 -0.06429 0.22179 0.26350 1.17429 0.81427 0.72578 0.60807 0.83817 0.88652 0.93442 0.02576 0.10199 0.22614 1.17431 0.81429 0.72393 0.60867 0.85593 0.87952 0.91448 0.04547 0.14593 0.17950 1.17426 0.81416 0.72250 0.66389 0.87219 0.88825 0.91869 0.11230 0.17899 0.22007 1.17426 0.81437 0.72489 0.68561 0.87649 0.90482 0.91873 0.15530 0.20423 0.23379 1.17458 0.81413 0.79208 0.23222 0.86613 0.87402 0.72689 0.06401 0.04415 0.16050 1.17431 0.81392 0.75232 0.44742 0.89178 0.92076 0.81032 -0.12258 -0.17881 0.22883 1.17445 0.81387 0.77297 0.33419 0.96335 0.75626 0.81003 -0.04196 -0.03119 0.20712 1.17439 0.81400 0.75500 0.56633 0.95567 0.91321 0.73765 0.12675 0.08558 0.22042 1.17431 0.81415 0.74689 0.51922 0.91461 0.92417 0.80340 0.13071 0.03956 0.28789 1.17434 0.81409 0.76381 0.51805 0.88566 0.93781 0.78350 0.03121 0.23496 0.23663 1.17438 0.81416 0.75157 0.53015 0.90768 0.93889 0.76945 -0.04160 0.15002 0.25228 1.17442 0.81421 0.74780 0.60802 0.77775 0.83517 0.96585 0.09135 0.04862 0.17783 1.17442 0.81412 0.75547 0.53631 0.93819 0.91240 0.74746 0.09720 0.01452 0.24205 1.17422 0.81433 0.72516 0.69077 0.92047 0.86268 0.93623 0.20408 0.12517 0.23332 0.51142 0.27215 0.51150 0.27243 0.51410 0.29776 0.51411 0.29771 0.50857 0.26083 0.50860 0.26080 0.51057 0.27628 0.51057 0.27621 0.51145 0.27462 0.49481 0.22411 0.51050 0.20390 0.51696 0.23890 0.51041 0.24623 0.51448 0.27421 0.51449 0.27417 0.51539 0.25370 0.51591 0.25806 0.50736 0.28116 0.50860 0.26085 0.50859 0.26084 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 O O N N 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 -0.291683 -0.211896 -0.390121 0.048889 -0.335417 -0.342027 -0.565284 -0.692492 0.251304 0.261718 0.240925 -0.349012 -0.354915 -0.380073 -0.246979 -0.241030 -0.232144 -0.686443 0.216426 0.216069 0.188141 0.188183 0.230595 0.230597 0.213144 0.213221 0.213924 0.281080 0.285595 0.244136 0.243355 0.211311 0.211348 0.230916 0.226033 0.211480 0.230548 0.230574 0.00000 1.14384849e+00 2.27784335e+00 4.29550753e-02 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 2.9074 5.7897 0.1092 6.4796 -86.2533 -103.4696 -111.0160 -5.0687 0.7094 0.3367 13.9930 -3.2233 -10.7696 -5.0687 0.7094 0.3367 156.3443 -11.2765 -23.5632 77.9205 49.2867 -2.4035 3.8712 -3.2757 -5.6227 1.4224 -10493.5647 -1760.5638 -162.6204 -137.3527 -97.9272 -183.6207 -10.5247 -127.3071 -9.6468 -2046.6498 -1919.5733 -346.6953 0.8248 -34.1862 -34.2230 0 -804.3580177 7.365E-9 6.754E-5 10.4034454,-2.396475,-8.0069704,-3.7684308,0.5274196,0.2503534 C01 [X(C14H20N2O2)] 1.1438485 2.2778434 0.0429551 @ 0.000074834 -0.000058511 0.000005961 0.000053374 0.000234216 -0.000015051 -0.000279635 0.000240464 -0.000022367 0.000259810 -0.000049120 0.000007612 -0.000051736 0.000052607 0.000005512 -0.000005412 -0.000044371 -0.000004536 0.000069262 -0.000014711 -0.000028064 0.000058609 0.000028546 0.000002791 -0.000127687 -0.000348463 0.000063603 0.000052476 -0.000032120 0.000005189 -0.000088135 0.000088032 -0.000005716 -0.000092127 0.000066014 0.000001017 0.000047222 0.000033186 0.000001289 -0.000063511 -0.000036633 -0.000017119 0.000043120 -0.000044418 -0.000000974 -0.000068049 0.000005945 -0.000003769 0.000042020 -0.000047169 0.000001014 0.000109353 -0.000015791 -0.000000010 0.000008328 -0.000019149 0.000005641 0.000000376 -0.000018894 -0.000010092 0.000002415 0.000011123 -0.000007544 0.000003802 0.000008535 0.000009571 -0.000012969 0.000009139 0.000006453 -0.000014450 0.000021150 0.000001181 -0.000006929 -0.000022502 -0.000032900 -0.000008273 -0.000022985 0.000033311 -0.000034192 0.000014333 0.000000060 0.000028871 -0.000045467 -0.000003687 0.000015692 -0.000017726 -0.000000028 0.000000000 0.000009375 0.000000470 0.000050494 0.000006449 0.000005974 0.000001710 0.000013974 0.000004920 0.000000817 0.000013314 -0.000006323 0.000010701 -0.000022297 0.000000147 0.000015684 -0.000033221 -0.000000075 -0.000020092 0.000013940 -0.000000400 -0.000036861 0.000012234 -0.000033100 -0.000038914 0.000010973 0.000030036 228.16199999999986 AuxInfo=1/0/N:8,18,6,16,5,15,17,12,13,7,14,10,11,9,4,3,2,1/CRV:6.3,7.3,8.3,9.3,11.3,12.3,13.3,14.3,15.2,17.1/rA:38OO1NN2CCCCC3C3C3C3C3C3C3CC3CHHHHHHHHHHHHHHHHHHHH/rB:;;s3;;s5;s5;s6;s2s3s7;;s1s10;s10;s11;s4s10;s12;s1;s13s15;s16;s5;s5;s6;s6;s7;s7;s8;s8;s8;s3;s12;s13;s14;s16;s16;s15;s17;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2035 CBGUSER 000269458 EM64L-G09RevD.01 28-Feb-2018 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 108 C1[X(C14H20N2O2)] RPBEPBE SDD Freq #p freq=noraman PBEPBE/SDD 228.16199999999986 0 1 AuxInfo=1/0/N:8,18,6,16,5,15,17,12,13,7,14,10,11,9,4,3,2,1/CRV:6.3,7.3,8.3,9.3,11.3,12.3,13.3,14.3,15.2,17.1/rA:38OO1NN2CCCCC3C3C3C3C3C3C3CC3CHHHHHHHHHHHHHHHHHHHH/rB:;;s3;;s5;s5;s6;s2s3s7;;s1s10;s10;s11;s4s10;s12;s1;s13s15;s16;s5;s5;s6;s6;s7;s7;s8;s8;s8;s3;s12;s13;s14;s16;s16;s15;s17;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-21569.inp" -scrdir="/scratch/" chk=000269458-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 000269458 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 16 16 14 14 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 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 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 2 2 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 (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| 0.000330 0.000073 0.018286 0.005721 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -1.609398e-06 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 1193.4719364758 220 512 220 67 67 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 38 38 38 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 0 228.16199999999986 AuxInfo=1/0/N:8,18,6,16,5,15,17,12,13,7,14,10,11,9,4,3,2,1/CRV:6.3,7.3,8.3,9.3,11.3,12.3,13.3,14.3,15.2,17.1/rA:38OO1NN2CCCCC3C3C3C3C3C3C3CC3CHHHHHHHHHHHHHHHHHHHH/rB:;;s3;;s5;s5;s6;s2s3s7;;s1s10;s10;s11;s4s10;s12;s1;s13s15;s16;s5;s5;s6;s6;s7;s7;s8;s8;s8;s3;s12;s13;s14;s16;s16;s15;s17;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 6.903691 0.000000 4.869234 2.348681 0.000000 4.091416 2.827016 1.383393 0.000000 8.632594 2.859595 3.811700 4.991424 0.000000 9.650693 4.395055 5.014203 6.304518 1.544584 0.000000 7.155930 2.474431 2.450282 3.762703 1.540618 2.564416 0.000000 11.095152 5.289347 6.346897 7.558398 2.568523 1.544028 3.942755 0.000000 6.263037 1.256376 1.409688 2.436761 2.559218 3.937762 1.538829 5.127735 0.000000 2.403396 5.129075 3.668383 2.418101 7.404313 8.678410 6.116941 9.968322 4.854064 0.000000 1.406194 6.498826 4.808460 3.709313 8.613590 9.797373 7.238520 11.155319 6.102823 1.431148 0.000000 3.705406 5.092311 4.263829 2.881088 7.700652 9.102825 6.604361 10.256306 5.167396 1.421411 2.451282 0.000000 2.487503 7.573165 6.096784 4.889068 9.867519 11.109280 8.544922 12.427152 7.323023 2.472180 1.415529 2.828775 0.000000 2.772143 4.139047 2.302827 1.319304 6.107134 7.305542 4.742294 8.649461 3.610334 1.465691 2.506790 2.521248 3.807442 0.000000 4.235925 6.399275 5.670405 4.288258 9.073741 10.494139 8.007434 11.618929 6.556431 2.463725 2.831758 1.407745 2.454924 3.812173 0.000000 1.476670 8.374287 6.294179 5.566953 10.011169 10.954561 8.508803 12.429297 7.698043 3.760142 2.473187 4.923857 2.889901 4.247921 5.148041 0.000000 3.758303 7.524702 6.449805 5.113590 10.065348 11.416646 8.874761 12.631601 7.510090 2.842468 2.445078 2.440468 1.412345 4.308060 1.415116 4.301911 0.000000 2.412039 8.822600 6.567397 6.140249 10.059144 10.814443 8.521121 12.336330 7.966749 4.804187 3.736794 6.115261 4.387521 4.877208 6.534316 1.526256 5.793496 0.000000 8.904389 2.766742 4.089375 5.128753 1.106358 2.185892 2.171876 2.805504 2.777640 7.520311 8.781458 7.690747 9.979870 6.306130 9.027127 10.309427 10.082797 10.446492 0.000000 8.905949 2.775935 4.092558 5.133617 1.106347 2.185908 2.172266 2.805003 2.782620 7.524748 8.784715 7.697014 9.983676 6.309620 9.033542 10.309800 10.088019 10.445067 1.765050 0.000000 9.583713 4.837152 5.147133 6.471541 2.182629 1.109872 2.795756 2.180216 4.231071 8.778943 9.825419 9.300179 11.163991 7.376292 10.697119 10.835318 11.551209 10.605872 3.100324 2.545259 0.000000 9.582562 4.831497 5.144678 6.467663 2.182304 1.109842 2.795550 2.180408 4.227671 8.775183 9.822652 9.294875 11.160678 7.373418 10.691561 10.835333 11.546610 10.607790 2.544452 3.100090 1.776152 0.000000 7.057000 3.185382 2.701390 4.025029 2.182855 2.798147 1.110339 4.237666 2.173081 6.247958 7.266632 6.862231 8.605913 4.840166 8.260182 8.347832 9.036365 8.250018 2.537171 3.093017 3.122699 2.569814 0.000000 7.055158 3.186332 2.700587 4.024721 2.183109 2.803063 1.110327 4.240914 2.173060 6.247253 7.265343 6.862160 8.604655 4.839243 8.259989 8.345110 9.035604 8.246562 3.092880 2.534150 2.575400 3.130228 1.777169 0.000000 11.349711 5.291414 6.561093 7.697692 2.832877 2.197466 4.265407 1.106087 5.285949 10.103298 11.331853 10.301214 12.564920 8.836789 11.635926 12.710380 12.697092 12.688250 3.163055 2.617482 2.545993 3.106817 4.802173 4.461779 0.000000 11.349207 5.286777 6.559642 7.694944 2.833021 2.197519 4.265667 1.106087 5.283718 10.100553 11.329962 10.296977 12.562503 8.834887 11.631378 12.710850 12.693460 12.690264 2.618176 3.162406 3.106722 2.546106 4.461136 4.805328 1.784559 0.000000 11.846176 6.333536 7.207663 8.473925 3.533426 2.203948 4.762032 1.105467 6.068525 10.864253 11.999350 11.229148 13.304444 9.504192 12.606254 13.133692 13.575899 12.933987 3.823169 3.822771 2.526729 2.527153 4.924750 4.929444 1.787567 1.787547 0.000000 4.646265 3.247786 1.033162 2.102848 4.057010 5.004732 2.535999 6.456797 2.105581 3.980658 4.886634 4.847147 6.261785 2.516173 6.224874 5.975717 6.822860 6.020006 4.476266 4.476942 5.001797 5.001485 2.521864 2.520028 6.765920 6.766113 7.202550 0.000000 4.560074 4.230202 3.860409 2.531366 6.966870 8.429050 6.018145 9.487306 4.510736 2.158237 3.432097 1.094696 3.923182 2.711505 2.187072 5.876757 3.443011 6.962230 6.891635 6.899108 8.693866 8.687721 6.371791 6.372280 9.486038 9.480964 10.497663 4.629657 0.000000 2.766181 8.596139 6.995534 5.857869 10.796889 11.984833 9.426769 13.342332 8.274364 3.467944 2.188367 3.922121 1.093456 4.692876 3.440016 2.567071 2.169701 4.083089 10.940967 10.944053 11.997523 11.994860 9.433512 9.431894 13.506190 13.504342 14.187217 7.052800 5.016602 0.000000 2.352022 4.758783 2.563599 2.132892 6.284644 7.307912 4.803964 8.744019 3.972598 2.196433 2.685630 3.487684 4.098049 1.105695 4.659227 3.738793 4.896256 4.065675 6.591587 6.593132 7.277777 7.276650 4.749313 4.747577 9.008220 9.007768 9.507429 2.305521 3.803028 4.795557 0.000000 2.120170 8.845851 6.848865 6.043237 10.581367 11.558989 9.099049 13.017291 8.232910 4.091488 2.757018 5.107333 2.831255 4.746540 5.151019 1.109154 4.177566 2.188538 10.780609 10.927790 11.524567 11.384569 8.869845 9.045924 13.341023 13.220171 13.739827 6.591222 6.103258 2.322665 4.351937 0.000000 2.119965 8.842405 6.846135 6.040501 10.578058 11.557155 9.096256 13.014879 8.229768 4.089344 2.755572 5.104896 2.830036 4.744267 5.148770 1.109127 4.175843 2.188663 10.923135 10.777206 11.383810 11.523265 9.046238 8.864731 13.216886 13.338221 13.738265 6.588913 6.100594 2.322464 4.350048 1.802197 0.000000 5.330432 6.691087 6.321168 4.948516 9.476393 10.950742 8.542231 11.975449 7.037214 3.453472 3.926447 2.174105 3.446234 4.693276 1.094690 6.219151 2.181815 7.622405 9.354332 9.361739 11.210261 11.203840 8.860741 8.860907 11.934207 11.928748 13.000884 6.986360 2.526519 4.341545 5.622929 6.176142 6.173800 0.000000 4.651157 8.523752 7.534779 6.188722 11.116464 12.485654 9.951425 13.678912 8.567164 3.938122 3.434481 3.435123 2.170289 5.403683 2.182210 4.946437 1.095663 6.470865 11.108640 11.114046 12.628960 12.624142 10.119795 10.119020 13.724900 13.721026 14.635652 7.918507 4.354872 2.485810 5.971512 4.690723 4.689324 2.516944 0.000000 3.383968 9.927192 7.671199 7.234211 11.135370 11.851291 9.595541 13.380493 9.069035 5.785766 4.605402 7.038903 5.016993 5.959746 7.316789 2.168816 6.425385 1.105133 11.531140 11.529211 11.616650 11.619112 9.300034 9.296260 13.744485 13.746970 13.949626 7.107871 7.938944 4.493007 5.169476 2.533156 2.533706 8.386010 6.967943 0.000000 2.667027 8.555902 6.275820 5.975304 9.641636 10.338420 8.109233 11.863164 7.646522 4.901280 4.006321 6.249860 4.811003 4.781087 6.794101 2.176830 6.175742 1.103323 10.133109 9.974085 10.031961 10.191602 7.913732 7.706469 12.168236 12.301186 12.430899 5.663910 7.017358 4.631143 3.893117 3.105824 2.533449 7.880172 6.917260 1.791409 0.000000 2.666608 8.558492 6.277822 5.977139 9.644291 10.339531 8.111394 11.864862 7.648922 4.902335 4.006766 6.251161 4.811398 4.782450 6.795267 2.176781 6.176538 1.103328 9.979313 10.134651 10.189518 10.034593 7.711810 7.912019 12.301188 12.172945 12.431705 5.665620 7.018907 4.631140 3.894294 2.533570 3.105866 7.881470 6.917952 1.791380 1.790927 0.000000 C14H20N2O2 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 0 228.16199999999986 AuxInfo=1/0/N:8,18,6,16,5,15,17,12,13,7,14,10,11,9,4,3,2,1/CRV:6.3,7.3,8.3,9.3,11.3,12.3,13.3,14.3,15.2,17.1/rA:38OO1NN2CCCCC3C3C3C3C3C3C3CC3CHHHHHHHHHHHHHHHHHHHH/rB:;;s3;;s5;s5;s6;s2s3s7;;s1s10;s10;s11;s4s10;s12;s1;s13s15;s16;s5;s5;s6;s6;s7;s7;s8;s8;s8;s3;s12;s13;s14;s16;s16;s15;s17;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.7797706 0.1247461 0.1079834 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= 11026 NPrTT= 55716 LenC2= 8741 LenP2D= 27293. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 220 RedAO= T EigKep= 6.83D-04 NBF= 220 NBsUse= 220 1.00D-06 EigRej= -1.00D+00 NBFU= 220 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 205 206 207 207 207 MxSgAt= 38 MxSgA2= 38. 1 Closed 1 0 1 -803.952877852401 -803.780421495170 0.172456357231 -804.200503588119 -0.420082092950 -804.282525877416 -0.082022289296 -804.350939541821 -0.068413664405 -804.356839076792 -0.005899534971 -804.357924807461 -0.001085730669 -804.357996615732 -0.000071808271 -804.358006274213 -0.000009658481 -804.357962877732 0.000043396480 -804.357962183890 0.000000693842 -804.357963215568 -0.000001031678 -804.357963236245 -0.000000020677 -804.357963273803 -0.000000037558 -804.357963276625 -0.000000002822 -804.357963276727 -0.000000000102 -804.357963276749 -0.000000000021 -804.357963276758 -0.000000000009 -804.357963277 18 8.003541257693e+02 -4.260940882859e+03 1.462756857337e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep J ints in memory in canonical form, NReq=301063859. IVT= 166834 IEndB= 166834 NGot= 939524096 MDV= 643857058 LenX= 643857058 LenY= 643808217 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= 24310 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. Using compressed storage, NAtomX= 38. Will process 39 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111111111111111 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= 939523492 using IRadAn= 2. Generate precomputed XC quadrature information. Keep J ints in memory in canonical form, NReq=300908294. 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= 24310 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Solving linear equations simultaneously, MaxMat= 0. There are 117 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 114 vectors produced by pass 0 Test12= 1.03D-14 1.00D-09 XBig12= 8.15D+02 2.48D+01. AX will form 114 AO Fock derivatives at one time. 114 vectors produced by pass 1 Test12= 1.03D-14 1.00D-09 XBig12= 2.90D+02 2.81D+00. 114 vectors produced by pass 2 Test12= 1.03D-14 1.00D-09 XBig12= 8.93D-01 9.27D-02. 114 vectors produced by pass 3 Test12= 1.03D-14 1.00D-09 XBig12= 2.71D-04 1.50D-03. 67 vectors produced by pass 4 Test12= 1.03D-14 1.00D-09 XBig12= 3.40D-08 2.60D-05. 8 vectors produced by pass 5 Test12= 1.03D-14 1.00D-09 XBig12= 6.19D-12 2.69D-07. 2 vectors produced by pass 6 Test12= 1.03D-14 1.00D-09 XBig12= 1.11D-15 2.46D-09. InvSVY: IOpt=1 It= 1 EMax= 4.26D-14 Solved reduced A of dimension 533 with 117 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 201.95 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 315.185 7.213 193.371 0.029 -0.022 97.302 526.915 -4.904 362.868 0.086 -0.082 155.872 (Enter /mnt/data/applications/G09/g09/l716.exe) PT2089.600S 2018-02-28T10:51:59.000+01:00 -18.79769 -18.73344 -14.05947 -14.03738 -10.00049 -9.97016 -9.96517 -9.93784 -9.91839 -9.91135 -9.90968 -9.90906 -9.90274 -9.90258 -9.90136 -9.89023 -9.88752 -9.87812 -0.97305 -0.95933 -0.91449 -0.79020 -0.76757 -0.72219 -0.71414 -0.68925 -0.66616 -0.66150 -0.60407 -0.58883 -0.57124 -0.54151 -0.53700 -0.52728 -0.51194 -0.48566 -0.47337 -0.44004 -0.43820 -0.42803 -0.42375 -0.40747 -0.39504 -0.39233 -0.38117 -0.37161 -0.36772 -0.35977 -0.35626 -0.35508 -0.35429 -0.32884 -0.32831 -0.32692 -0.31344 -0.31199 -0.29553 -0.29260 -0.28641 -0.28459 -0.27929 -0.27672 -0.24736 -0.22999 -0.20891 -0.19849 -0.18489 -0.08105 -0.02863 -0.01702 0.00822 0.04292 0.04620 0.07759 0.08393 0.08661 0.09199 0.10149 0.11483 0.11597 0.12149 0.13573 0.13892 0.14089 0.15064 0.15398 0.15545 0.15577 0.16807 0.16953 0.17489 0.17625 0.17751 0.18189 0.18912 0.18917 0.19283 0.19993 0.21168 0.22839 0.23503 0.23976 0.24352 0.24612 0.25015 0.25985 0.26023 0.26996 0.27792 0.27873 0.28485 0.28644 0.29486 0.29583 0.30304 0.30983 0.31270 0.32310 0.33316 0.34157 0.34844 0.35469 0.35692 0.36507 0.37395 0.37821 0.38260 0.38360 0.39904 0.40231 0.40814 0.41399 0.41537 0.42465 0.43489 0.43721 0.44528 0.45091 0.47458 0.47590 0.49412 0.50822 0.51645 0.51866 0.52896 0.56849 0.57609 0.58236 0.61124 0.62866 0.63545 0.64526 0.65012 0.67606 0.68151 0.69896 0.71126 0.74241 0.80120 0.81133 0.81676 0.82627 0.83757 0.85802 0.86575 0.88323 0.91569 0.92009 0.93751 0.94692 0.96389 0.97852 0.99262 1.00688 1.01051 1.02051 1.03125 1.05300 1.06063 1.07096 1.07304 1.07910 1.08754 1.10251 1.12306 1.12591 1.13357 1.13518 1.16592 1.19908 1.20097 1.26620 1.26974 1.29556 1.30519 1.32235 1.36225 1.46219 1.47659 1.55120 1.68205 1.79196 22.28101 22.42258 22.49051 22.52647 22.53581 22.57959 22.60417 22.61306 22.61782 22.65954 22.67016 22.67527 22.70079 22.78022 31.43873 31.54007 41.55065 41.55879 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 O O N N 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 -0.291664 -0.211919 -0.390144 0.048862 -0.335344 -0.341967 -0.565320 -0.692529 0.251379 0.261660 0.240984 -0.348989 -0.354784 -0.380114 -0.246971 -0.241105 -0.232177 -0.686366 0.216401 0.216047 0.188120 0.188164 0.230589 0.230592 0.213150 0.213224 0.213930 0.281087 0.285577 0.244084 0.243370 0.211321 0.211358 0.230909 0.226036 0.211459 0.230532 0.230558 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 O O N N C C C C C C C C C C C C C C -0.291664 -0.211919 -0.109057 0.048862 0.097103 0.034317 -0.104139 -0.052225 0.251379 0.261660 0.240984 -0.063412 -0.110700 -0.136744 -0.016062 0.181574 -0.006141 -0.013817 0.00000 -1.25976840e+00 2.21626720e+00 2.46979181e-04 3.15185258e+02 7.21322773e+00 1.93370905e+02 2.87121676e-02 -2.15412398e-02 9.73015422e+01 -50.2811 -8.5861 -5.2454 -0.0008 0.0004 0.0008 2.5387 22.0270 32.6130 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A -49.9656 21.7176 32.6101 39.4158 68.3111 73.4052 87.9454 105.1308 108.5422 134.8175 142.0649 189.7256 203.1061 215.8400 232.1163 236.1128 246.9265 296.4107 316.6027 329.9404 368.1454 381.7350 475.9235 478.6979 510.9651 538.6101 553.0119 593.0408 634.1908 637.4959 699.7583 723.7458 741.8806 759.6316 764.7551 795.5762 826.4682 841.7809 863.8618 899.1233 906.9207 921.4560 947.9771 955.8966 957.4022 993.2332 1015.7359 1036.4166 1044.4186 1051.8963 1085.7849 1095.2442 1097.9012 1115.4399 1121.7501 1136.9897 1162.0626 1174.2643 1202.1630 1204.9967 1233.6113 1256.5015 1264.1344 1277.6152 1286.6702 1296.5377 1321.0941 1328.4891 1356.6341 1369.3213 1389.6295 1391.3596 1399.9018 1439.5042 1441.6836 1461.0903 1463.9263 1471.7588 1474.4464 1477.5691 1480.5342 1487.4328 1492.3044 1502.2381 1564.6794 1592.2498 1607.1239 1648.0712 2954.7628 2959.1354 2960.0113 2975.0294 2997.5389 2999.9563 3000.8230 3005.1694 3017.6838 3018.9581 3060.3824 3073.5147 3073.8855 3094.8135 3106.0975 3133.1448 3149.7495 3164.2442 3173.6487 3357.5452 1.6093 4.7925 4.3448 4.8302 3.2505 3.5937 4.1589 1.9711 1.8073 4.4419 3.8665 4.3906 3.4146 4.7052 1.4662 1.1204 2.5291 4.2433 3.9508 4.1199 4.0950 5.6623 3.7958 3.0924 5.4243 3.0924 3.1521 6.3815 1.1895 5.7872 5.5365 1.1010 3.4023 1.3153 4.4509 1.2777 1.1090 4.7417 1.3803 1.8013 3.3136 1.3032 1.3868 5.6744 1.4634 1.3434 5.5840 2.7983 2.1031 2.9868 2.0234 1.4507 2.4671 2.2994 2.6553 1.4417 2.3944 1.0987 2.1554 1.4800 2.2949 1.4417 1.1372 1.1838 1.0549 1.5391 1.5993 1.6146 1.6724 1.3480 3.9616 1.2207 1.3536 2.1692 1.1529 1.0402 1.0733 1.6422 1.0719 1.0420 1.1992 1.0749 1.1780 1.8874 6.4717 6.2128 6.4054 7.2396 1.0589 1.0588 1.0555 1.0359 1.0361 1.0604 1.0984 1.1011 1.0876 1.1077 1.1031 1.0995 1.1011 1.0988 1.1015 1.0858 1.0901 1.0942 1.0994 1.0750 0.0024 0.0013 0.0027 0.0044 0.0089 0.0114 0.0190 0.0128 0.0125 0.0476 0.0460 0.0931 0.0830 0.1291 0.0465 0.0368 0.0909 0.2197 0.2333 0.2642 0.3270 0.4861 0.5066 0.4175 0.8344 0.5286 0.5680 1.3223 0.2819 1.3857 1.5973 0.3398 1.1033 0.4472 1.5337 0.4765 0.4463 1.9796 0.6069 0.8580 1.6058 0.6519 0.7343 3.0549 0.7903 0.7808 3.3943 1.7710 1.3516 1.9472 1.4055 1.0253 1.7521 1.6856 1.9686 1.0981 1.9051 0.8926 1.8353 1.2661 2.0577 1.3410 1.0708 1.1385 1.0289 1.5243 1.6445 1.6790 1.8135 1.4891 4.5074 1.3923 1.5630 2.6484 1.4118 1.3083 1.3552 2.0958 1.3729 1.3404 1.5487 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