Gaussian 09 GINC-KIMIK2075 CBGUSER 000292851 EM64L-G09RevD.01 24-Apr-2018 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #popt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInputnosymm 164.18269999999995 0 1 AuxInfo=1/0/N:10,12,8,11,6,4,2,3,5,7,9,1/rA:36SCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHH/rB:;s2;s2;s3;s4;s5;s6;s1s7;s8;s1;s11;s2;s2;s3;s3;s4;s4;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s10;s11;s11;s12;s12;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-7400.inp" -scrdir="/scratch/" chk=000292851.chk nprocshared=4 mem=3GB #p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInp 1/7=-1,11=1,14=-1,18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,15=1,17=6,18=5,40=1/2 3/5=17,6=7,11=2,16=1,24=10,25=1,30=1,71=1,74=1009/1,2,3 4//1 5/5=2,38=5/2 6/7=3,28=1,40=-1,79=1/1,7 7/30=1/1,2,3,16 1/7=-1,11=1,14=-1,18=20,19=15,26=3/3(2) 2/9=110,15=1/2 99//99 2/9=110,15=1/2 3/5=17,6=7,11=2,16=1,25=1,30=1,71=1,74=1009/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7/30=1/1,2,3,16 1/7=-1,11=1,14=-1,18=20,19=15,26=3/3(-5) 2/9=110,15=1/2 6/7=3,19=2,28=1,40=-1,79=1/1,7 99/9=1/99 000292851 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 32 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 1 1 1 1 31.9720718 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 1.0078250 1.0078250 1.0078250 1.0078250 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 1 1 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 (Enter /mnt/data/applications/G09/g09/l101.exe) Initialization pass. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 1 1 2 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 10 10 10 11 11 11 12 12 12 9 11 3 4 13 14 5 15 16 6 17 18 7 19 20 8 21 22 9 23 24 10 25 26 27 28 29 30 31 12 32 33 34 35 36 1.8258 1.8287 1.5347 1.5347 1.107 1.1074 1.5346 1.1073 1.1068 1.5345 1.1069 1.1071 1.5351 1.1088 1.1067 1.5352 1.107 1.1069 1.5232 1.1106 1.1104 1.5272 1.1076 1.1075 1.1048 1.1044 1.0959 1.0956 1.0959 1.5141 1.1047 1.1047 1.0993 1.0994 1.0983 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 9 3 3 3 4 4 13 2 2 2 5 5 15 2 2 2 6 6 17 3 3 3 7 7 19 4 4 4 8 8 21 5 5 5 9 9 23 6 6 6 10 10 25 1 1 1 7 7 27 8 8 8 29 29 30 1 1 1 12 12 32 11 11 11 34 34 35 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 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 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 11 4 13 14 13 14 14 5 15 16 15 16 16 6 17 18 17 18 18 7 19 20 19 20 20 8 21 22 21 22 22 9 23 24 23 24 24 10 25 26 25 26 26 7 27 28 27 28 28 29 30 31 30 31 31 12 32 33 32 33 33 34 35 36 35 36 36 101.9998 111.4569 109.9055 109.8181 109.8887 109.8652 105.7487 111.3368 109.7928 109.8534 109.8355 110.0265 105.8494 111.4258 109.8819 109.8414 109.8798 109.8601 105.7983 111.2887 109.837 109.9871 109.9845 110.0141 105.5741 111.5005 109.9401 109.9656 109.7816 109.7932 105.6969 112.7553 109.4807 109.8484 108.7785 110.5663 105.1191 111.7193 109.8447 109.8592 109.7033 109.7112 105.8333 107.288 109.6282 110.0681 110.9044 111.6256 107.3338 111.6051 111.1933 111.5925 107.438 107.359 107.4252 106.2803 109.9512 109.9616 111.542 111.5325 107.5865 112.1486 112.1427 111.0279 107.0802 107.0729 107.0671 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 11 11 11 9 9 9 4 4 4 13 13 13 14 14 14 3 3 3 13 13 13 14 14 14 2 2 2 15 15 15 16 16 16 2 2 2 17 17 17 18 18 18 3 3 3 19 19 19 20 20 20 4 4 4 21 21 21 22 22 22 5 5 5 23 23 23 24 24 24 6 6 6 25 25 25 26 26 26 1 1 1 32 32 32 33 33 33 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 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 11 11 11 11 11 11 11 11 11 9 9 9 11 11 11 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 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 9 9 9 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 12 12 12 7 27 28 12 32 33 5 15 16 5 15 16 5 15 16 6 17 18 6 17 18 6 17 18 7 19 20 7 19 20 7 19 20 8 21 22 8 21 22 8 21 22 9 23 24 9 23 24 9 23 24 10 25 26 10 25 26 10 25 26 1 27 28 1 27 28 1 27 28 29 30 31 29 30 31 29 30 31 34 35 36 34 35 36 34 35 36 178.6337 58.1199 -59.7232 179.9256 59.0644 -59.2189 179.9753 -58.1717 57.8392 57.8972 179.7501 -64.239 -58.0367 63.8163 179.8272 179.9967 -57.9737 58.02 -57.9154 64.1142 -179.8922 58.0359 -179.9344 -63.9408 179.8928 57.8533 -57.9272 58.0646 -63.9748 -179.7554 -58.0712 179.8893 64.1088 179.9998 -58.0046 57.9719 57.9689 179.9645 -64.059 -58.0343 63.9613 179.9378 177.2279 55.986 -58.9641 -60.8181 177.9399 62.9898 55.0635 -66.1784 178.8715 179.9986 58.0211 -58.0037 57.9115 -64.066 179.9093 -57.874 -179.8515 64.1237 74.1085 -166.1904 -46.5534 -164.2512 -44.5501 75.0869 -49.3019 70.3992 -169.9638 60.0888 -179.9605 -60.0344 -177.8524 -57.9016 62.0244 -61.994 57.9567 177.8828 -60.3021 60.2285 179.9575 59.5298 -179.9397 -60.2106 179.8588 -59.6106 60.1184 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 199 216 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 7750 NPrTT= 36908 LenC2= 6462 LenP2D= 20154. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 176 RedAO= T EigKep= 1.47D-03 NBF= 176 NBsUse= 176 1.00D-06 EigRej= -1.00D+00 NBFU= 176 Using GEDIIS/GDIIS optimizer. local minimum Step number 10 out of a maximum of 199 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00158 0.00227 0.00299 0.00301 0.00303 0.00307 0.00310 0.00313 0.00399 0.00439 0.00581 0.03392 0.03398 0.03408 0.03412 0.03416 0.03476 0.03493 0.04688 0.04768 0.04770 0.04775 0.04781 0.04797 0.04842 0.04906 0.04988 0.05153 0.05478 0.05565 0.05657 0.05676 0.05748 0.08328 0.08406 0.08420 0.08426 0.08430 0.08447 0.08715 0.10421 0.11253 0.12196 0.12253 0.12263 0.12277 0.12283 0.12295 0.12495 0.13537 0.13729 0.15552 0.15968 0.16000 0.16001 0.16008 0.16117 0.16839 0.21645 0.21875 0.21906 0.21909 0.21918 0.21980 0.22214 0.22727 0.23426 0.24107 0.26080 0.28935 0.28965 0.28993 0.29011 0.29019 0.29560 0.30194 0.30701 0.32529 0.32598 0.32661 0.32844 0.32856 0.32868 0.32881 0.32902 0.32914 0.32923 0.32925 0.32936 0.32942 0.33020 0.33113 0.33152 0.33168 0.33264 0.33643 0.33759 0.33912 0.34089 0.34138 0.34362 0.35430 RFO step: Lambda=-1.36446898D-09. 1 2 0.00094727 0.00000058 0.00000039 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 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 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 3.59188 3.58441 2.92018 2.92070 2.09810 2.09755 2.91987 2.09813 2.09896 2.92032 2.09846 2.09825 2.92135 2.09399 2.09795 2.92157 2.09809 2.09829 2.90747 2.09837 2.09456 2.91792 2.09630 2.09640 2.08882 2.08941 2.09108 2.08951 2.09102 2.90198 2.08762 2.08787 2.08722 2.08745 2.08991 1.71564 1.97677 1.90739 1.90712 1.90681 1.90795 1.85376 1.97784 1.90652 1.90627 1.90720 1.90776 1.85416 1.97948 1.90636 1.90682 1.90645 1.90685 1.85365 1.96565 1.91284 1.91005 1.91170 1.90602 1.85423 1.97768 1.90843 1.90841 1.90604 1.90562 1.85356 1.99699 1.90104 1.91455 1.88066 1.90740 1.85786 1.97263 1.90473 1.90440 1.91227 1.91192 1.85411 1.93379 1.87007 1.88452 1.93292 1.93758 1.90296 1.93663 1.94744 1.93681 1.88137 1.87742 1.88136 1.91235 1.88406 1.88387 1.94000 1.94180 1.90000 1.93899 1.93985 1.92441 1.88690 1.88633 1.88552 3.01677 0.90640 -1.14111 3.11799 1.00299 -1.04811 3.12774 -1.02468 0.99644 0.99758 3.12834 -1.13372 -1.02402 1.10674 3.12787 3.14044 -1.01194 1.00879 -1.01225 1.11855 3.13928 1.00948 3.14028 -1.12217 3.13921 1.00643 -1.02045 1.00883 -1.12395 3.13236 -1.01351 3.13690 1.11002 3.13534 -1.01731 1.00535 1.00459 3.13512 -1.12540 -1.01621 1.11432 3.13698 3.07643 0.97085 -1.05623 -1.07334 3.10427 1.07719 0.95061 -1.15496 3.10114 -3.14074 1.01003 -1.00900 1.01057 -1.12185 -3.14087 -1.00920 3.14157 1.12254 1.12235 -3.08809 -0.97152 -3.04399 -0.97125 1.14531 -1.03201 1.04072 -3.12589 1.04242 3.14081 -1.04389 -3.11257 -1.01419 1.08430 -1.08509 1.01329 3.11177 -1.05475 1.04712 3.13756 1.02612 3.12799 -1.06476 -3.13651 -1.03464 1.05579 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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0.00000 -0.00001 -0.00002 0.00003 -0.00001 -0.00002 0.00000 0.00001 0.00001 0.00001 0.00014 0.00014 0.00012 -0.00024 -0.00023 -0.00025 -0.00014 -0.00016 -0.00016 -0.00018 -0.00020 -0.00019 -0.00017 -0.00019 -0.00018 -0.00058 -0.00055 -0.00055 -0.00053 -0.00051 -0.00051 -0.00054 -0.00051 -0.00051 -0.00065 -0.00064 -0.00065 -0.00062 -0.00061 -0.00062 -0.00062 -0.00061 -0.00062 -0.00011 -0.00011 -0.00012 -0.00014 -0.00014 -0.00015 -0.00014 -0.00014 -0.00015 -0.00017 -0.00017 -0.00016 -0.00018 -0.00018 -0.00017 -0.00020 -0.00019 -0.00019 -0.00032 -0.00031 -0.00032 -0.00030 -0.00029 -0.00030 -0.00030 -0.00029 -0.00030 -0.00010 -0.00007 -0.00008 -0.00008 -0.00006 -0.00006 -0.00010 -0.00007 -0.00008 -0.00032 -0.00033 -0.00033 -0.00033 -0.00034 -0.00034 -0.00034 -0.00035 -0.00034 -0.00003 -0.00004 -0.00004 -0.00005 -0.00006 -0.00006 -0.00003 -0.00004 -0.00004 3.59189 3.58441 2.92017 2.92069 2.09809 2.09756 2.91986 2.09814 2.09895 2.92032 2.09846 2.09825 2.92134 2.09399 2.09794 2.92156 2.09810 2.09829 2.90749 2.09837 2.09456 2.91792 2.09630 2.09639 2.08881 2.08940 2.09108 2.08951 2.09102 2.90200 2.08762 2.08786 2.08721 2.08744 2.08990 1.71562 1.97677 1.90742 1.90709 1.90682 1.90795 1.85375 1.97783 1.90650 1.90630 1.90721 1.90777 1.85416 1.97947 1.90638 1.90681 1.90647 1.90684 1.85365 1.96564 1.91283 1.91009 1.91170 1.90601 1.85422 1.97768 1.90840 1.90843 1.90605 1.90562 1.85355 1.99700 1.90106 1.91453 1.88064 1.90741 1.85785 1.97262 1.90473 1.90442 1.91227 1.91192 1.85410 1.93383 1.87008 1.88449 1.93288 1.93756 1.90298 1.93663 1.94743 1.93681 1.88137 1.87742 1.88137 1.91238 1.88403 1.88387 1.93999 1.94178 1.90003 1.93898 1.93983 1.92441 1.88690 1.88634 1.88553 3.01690 0.90654 -1.14099 3.11775 1.00277 -1.04836 3.12760 -1.02484 0.99628 0.99740 3.12814 -1.13392 -1.02418 1.10656 3.12768 3.13986 -1.01250 1.00824 -1.01279 1.11804 3.13878 1.00894 3.13977 -1.12268 3.13855 1.00579 -1.02110 1.00821 -1.12456 3.13174 -1.01413 3.13629 1.10940 3.13523 -1.01742 1.00523 1.00445 3.13498 -1.12556 -1.01635 1.11418 3.13683 3.07626 0.97069 -1.05639 -1.07352 3.10409 1.07702 0.95042 -1.15516 3.10095 -3.14106 1.00971 -1.00932 1.01028 -1.12213 -3.14117 -1.00950 3.14128 1.12225 1.12226 -3.08817 -0.97160 -3.04407 -0.97131 1.14525 -1.03211 1.04065 -3.12597 1.04210 3.14047 -1.04422 -3.11290 -1.01453 1.08396 -1.08544 1.01294 3.11143 -1.05477 1.04709 3.13752 1.02607 3.12793 -1.06482 -3.13654 -1.03468 1.05575 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000008 0.000001 0.004415 0.000947 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -7.124052e-09 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 1 1 2 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 10 10 10 11 11 11 12 12 12 9 11 3 4 13 14 5 15 16 6 17 18 7 19 20 8 21 22 9 23 24 10 25 26 27 28 29 30 31 12 32 33 34 35 36 1.9007 1.8968 1.5453 1.5456 1.1103 1.11 1.5451 1.1103 1.1107 1.5454 1.1105 1.1103 1.5459 1.1081 1.1102 1.546 1.1103 1.1104 1.5386 1.1104 1.1084 1.5441 1.1093 1.1094 1.1054 1.1057 1.1066 1.1057 1.1065 1.5357 1.1047 1.1049 1.1045 1.1046 1.1059 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 9 3 3 3 4 4 13 2 2 2 5 5 15 2 2 2 6 6 17 3 3 3 7 7 19 4 4 4 8 8 21 5 5 5 9 9 23 6 6 6 10 10 25 1 1 1 7 7 27 8 8 8 29 29 30 1 1 1 12 12 32 11 11 11 34 34 35 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 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 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 11 4 13 14 13 14 14 5 15 16 15 16 16 6 17 18 17 18 18 7 19 20 19 20 20 8 21 22 21 22 22 9 23 24 23 24 24 10 25 26 25 26 26 7 27 28 27 28 28 29 30 31 30 31 31 12 32 33 32 33 33 34 35 36 35 36 36 98.2989 113.2607 109.2856 109.2699 109.2522 109.3175 106.2124 113.3219 109.2355 109.2213 109.2748 109.3069 106.2357 113.4158 109.2266 109.253 109.2317 109.2545 106.2065 112.6237 109.5976 109.438 109.5326 109.2068 106.2393 113.3125 109.345 109.3438 109.2079 109.1841 106.2011 114.4191 108.9217 109.6954 107.7538 109.2861 106.4476 113.0233 109.1328 109.114 109.5651 109.5452 106.2324 110.7979 107.1468 107.9751 110.7479 111.0153 109.0313 110.961 111.58 110.9709 107.7946 107.5682 107.7939 109.5695 107.9486 107.9378 111.1537 111.2572 108.8619 111.0957 111.1452 110.2605 108.1114 108.0788 108.0326 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 11 11 11 9 9 9 4 4 4 13 13 13 14 14 14 3 3 3 13 13 13 14 14 14 2 2 2 15 15 15 16 16 16 2 2 2 17 17 17 18 18 18 3 3 3 19 19 19 20 20 20 4 4 4 21 21 21 22 22 22 5 5 5 23 23 23 24 24 24 6 6 6 25 25 25 26 26 26 1 1 1 32 32 32 33 33 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 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 11 11 11 11 11 11 11 11 9 9 9 11 11 11 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 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 9 9 9 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 12 12 7 27 28 12 32 33 5 15 16 5 15 16 5 15 16 6 17 18 6 17 18 6 17 18 7 19 20 7 19 20 7 19 20 8 21 22 8 21 22 8 21 22 9 23 24 9 23 24 9 23 24 10 25 26 10 25 26 10 25 26 1 27 28 1 27 28 1 27 28 29 30 31 29 30 31 29 30 31 34 35 36 34 35 36 34 35 172.8481 51.9331 -65.3808 178.6479 57.4673 -60.0521 179.2064 -58.71 57.0918 57.1571 179.2407 -64.9575 -58.6719 63.4118 179.2135 179.9341 -57.98 57.7997 -57.9979 64.088 179.8676 57.839 179.9249 -64.2955 179.8634 57.6642 -58.4674 57.8016 -64.3975 179.4709 -58.0697 179.7311 63.5995 179.6415 -58.2876 57.6022 57.5585 179.6293 -64.4809 -58.2248 63.846 179.7358 176.2666 55.6258 -60.5176 -61.4976 177.8616 61.7182 54.4662 -66.1746 177.6821 -179.9511 57.8702 -57.8114 57.9017 -64.277 -179.9586 -57.8227 179.9986 64.317 64.3062 -176.9347 -55.6642 -174.4079 -55.6488 65.6217 -59.13 59.6291 -179.1004 59.7265 179.955 -59.8107 -178.3372 -58.1087 62.1256 -62.1713 58.0571 178.2915 -60.4325 59.9958 179.7687 58.7923 179.2206 -61.0064 -179.7087 -59.2804 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0 164.18269999999995 AuxInfo=1/0/N:10,12,8,11,6,4,2,3,5,7,9,1/rA:36SCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHH/rB:;s2;s2;s3;s4;s5;s6;s1s7;s8;s1;s11;s2;s2;s3;s3;s4;s4;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s10;s11;s11;s12;s12;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 5.595667 0.000000 4.629401 1.534749 0.000000 6.958440 1.534665 2.536496 0.000000 3.280997 2.534644 1.534616 3.900386 0.000000 8.045015 2.535809 3.901159 1.534486 5.070452 0.000000 2.703059 3.899207 2.534236 5.070731 1.535136 6.396880 0.000000 9.396085 3.902081 5.073900 2.537405 6.398973 1.535232 7.608135 0.000000 1.825772 5.080769 3.901321 6.402490 2.546711 7.616394 1.523211 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0.75984 0.44645 0.60054 0.73232 1.17429 0.81420 0.72397 0.61198 0.86832 0.88949 0.90344 0.05584 0.15910 0.19074 1.17429 0.81421 0.72403 0.61167 0.86849 0.88911 0.90424 0.05112 0.15415 0.18579 1.17429 0.81421 0.72448 0.60986 0.86899 0.88895 0.90359 0.05484 0.15430 0.18777 1.17428 0.81422 0.72417 0.60908 0.86359 0.89615 0.90292 0.04230 0.15894 0.17644 1.17430 0.81422 0.72540 0.60465 0.86726 0.88918 0.90318 0.04472 0.15448 0.18253 1.17428 0.81422 0.72172 0.61885 0.85456 0.89662 0.91201 0.03014 0.18519 0.19723 1.17429 0.81427 0.72494 0.59885 0.86343 0.89078 0.90580 0.06049 0.14489 0.18207 1.17428 0.81417 0.71602 0.77591 0.90115 0.86034 0.90681 0.14855 0.17909 0.21810 1.17423 0.81433 0.72651 0.67246 0.90038 0.90126 0.91697 0.18689 0.19190 0.22517 1.17427 0.81428 0.72023 0.73734 0.83628 0.91681 0.91707 0.12718 0.15974 0.20306 1.17420 0.81438 0.72384 0.67560 0.91884 0.88756 0.91827 0.21243 0.14617 0.19957 0.51538 0.28931 0.51488 0.28558 0.51495 0.28763 0.51555 0.29318 0.51532 0.29122 0.51516 0.28975 0.51215 0.26433 0.51525 0.29461 0.51498 0.29242 0.51512 0.29345 0.51342 0.27597 0.51056 0.26472 0.51507 0.28810 0.51515 0.28869 0.51296 0.22734 0.51170 0.24000 0.51522 0.27191 0.51584 0.26654 0.51516 0.27149 0.51142 0.24135 0.51137 0.24185 0.51070 0.25691 0.51072 0.25679 0.51280 0.26678 -0.6703 -0.7861 1.1201 1.5238 -79.9806 -85.0970 -86.1281 0.4899 -4.7906 -0.8334 3.7546 -1.3618 -2.3928 0.4899 -4.7906 -0.8334 -8.3249 -7.7668 5.7363 17.4270 -3.2336 19.1101 27.8045 -1.8923 0.8203 -0.1790 -8755.8850 -604.2420 -218.4093 -100.5267 -117.8350 -2.8754 10.7284 -33.3545 19.3593 -1600.7503 -1557.0810 -144.7787 -7.5463 -10.6981 -3.7268 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 0 164.18269999999995 AuxInfo=1/0/N:10,12,8,11,6,4,2,3,5,7,9,1/rA:36SCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHH/rB:;s2;s2;s3;s4;s5;s6;s1s7;s8;s1;s11;s2;s2;s3;s3;s4;s4;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s10;s11;s11;s12;s12;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 5.685471 0.000000 4.746239 1.545291 0.000000 7.103839 1.545567 2.581298 0.000000 3.332715 2.581838 1.545127 3.964450 0.000000 8.183215 2.583661 3.965563 1.545368 5.165465 0.000000 2.838444 3.958641 2.571957 5.153199 1.545912 6.503697 0.000000 9.580908 3.966787 5.163801 2.582512 6.511371 1.546026 7.735653 0.000000 1.900743 5.173706 3.961371 6.510978 2.592990 7.756701 1.538565 9.080127 0.000000 10.716315 5.160806 6.506574 3.961469 7.742574 2.577156 9.064417 1.544096 10.333412 0.000000 1.896786 7.425142 6.468446 8.879203 4.983868 9.942264 4.283882 11.368255 2.872521 12.480542 0.000000 2.812001 8.332738 7.526232 9.796826 6.070619 10.746625 5.558688 12.195804 4.276053 13.219471 1.535661 0.000000 5.885752 1.110265 2.180348 2.180157 2.804935 2.813148 4.246609 4.253601 5.279082 5.277881 7.480775 8.419918 0.000000 5.447855 1.109976 2.179929 2.180788 2.816422 2.812821 4.252541 4.257492 5.320492 5.280971 7.235287 7.962746 1.775638 0.000000 4.868423 2.179711 1.110283 2.815431 2.180077 4.255856 2.796856 5.288134 4.258145 6.690870 6.669130 7.655568 3.095538 2.529834 0.000000 5.371374 2.179852 1.110719 2.802700 2.180817 4.248058 2.799652 5.272028 4.222082 6.678259 6.953248 8.149156 2.540757 3.095393 1.776516 0.000000 7.529758 2.179967 2.809692 1.110458 4.247499 2.179859 5.266205 2.807746 6.666201 4.247763 9.230644 10.275614 2.534515 3.095880 3.142897 2.572909 0.000000 7.193010 2.180227 2.808652 1.110346 4.255183 2.180071 5.270503 2.813277 6.698999 4.252046 9.033308 9.905156 3.095682 2.537091 2.585871 3.120628 1.776019 0.000000 2.893677 2.812895 2.182618 4.260119 1.108089 5.290157 2.182469 6.701189 2.858657 7.830799 4.680217 5.537514 3.124094 2.592161 2.540873 3.097396 4.788882 4.460611 0.000000 3.675959 2.817494 2.182118 4.254156 1.110185 5.288534 2.179810 6.691819 2.800489 7.824695 5.075555 6.201731 2.583649 3.151967 3.097110 2.534880 4.437038 4.790871 1.774378 0.000000 8.025639 2.816823 4.257138 2.181183 5.292136 1.110264 6.691456 2.179982 7.861076 2.803852 9.807533 10.468510 3.142653 2.589692 4.447425 4.786373 3.096278 2.534438 5.181781 5.480751 0.000000 8.322215 2.811492 4.254309 2.181245 5.280396 1.110368 6.683624 2.179751 7.827545 2.802898 9.982595 10.812232 2.584073 3.132719 4.790719 4.446637 2.538509 3.096472 5.460469 5.167636 1.775818 0.000000 3.811698 4.224905 2.774464 5.237816 2.176270 6.653673 1.110409 7.777863 2.154552 9.160739 5.016707 6.403463 4.430407 4.767000 3.084980 2.540929 5.113724 5.407135 3.093327 2.543857 7.014947 6.787892 0.000000 2.999717 4.261723 2.824448 5.297153 2.184795 6.702550 1.108393 7.841709 2.173065 9.216645 4.544724 5.691913 4.794047 4.447282 2.593398 3.157989 5.480792 5.179266 2.527989 3.097454 6.825678 7.053661 1.777216 0.000000 9.647413 4.253157 5.279574 2.808346 6.691481 2.178304 7.813164 1.109315 9.215128 2.182208 11.489207 12.283730 4.786469 4.450516 5.168222 5.445233 3.127076 2.582352 6.830310 7.044201 2.533561 3.093481 7.891102 7.761614 0.000000 9.894447 4.248847 5.276354 2.807610 6.681294 2.178098 7.805473 1.109366 9.185593 2.181989 11.638000 12.576897 4.439297 4.786038 5.465294 5.148356 2.575463 3.134704 7.043095 6.802724 3.093479 2.533277 7.689071 7.961713 1.774622 0.000000 2.464441 6.091175 4.756607 7.336396 3.543548 8.660149 2.189506 9.918108 1.105355 11.229423 2.906162 4.373345 6.247043 6.295261 4.924200 4.875568 7.408150 7.448513 3.872053 3.804186 8.810180 8.771142 2.469896 2.518363 10.000390 9.965033 0.000000 2.476375 5.300175 4.257006 6.693543 2.834449 7.840883 2.193125 9.210599 1.105666 10.395125 3.051749 4.477230 5.170951 5.510672 4.797554 4.421072 6.790366 7.052797 3.189941 2.588106 7.991228 7.754293 2.540111 3.100720 9.474025 9.274245 1.800377 0.000000 10.863186 5.317348 6.722812 4.283643 7.858718 2.843400 9.231619 2.197988 10.425603 1.106552 12.553587 13.314191 5.200074 5.498138 7.077037 6.839909 4.471544 4.815809 7.987031 7.783491 3.165427 2.616063 9.293979 9.510863 3.108431 2.548178 11.353077 10.369524 0.000000 11.686938 6.100813 7.361104 4.781487 8.672530 3.540924 9.932531 2.205170 11.254186 1.105723 13.470630 14.231170 6.266708 6.271555 7.470727 7.454212 4.935429 4.941603 8.802306 8.792229 3.820731 3.819549 9.971708 10.035613 2.531228 2.530621 12.111854 11.346005 1.787435 0.000000 10.638171 5.321593 6.726091 4.284739 7.868256 2.844196 9.238949 2.198091 10.452634 1.106522 12.415834 13.036832 5.502016 5.207717 6.849490 7.068091 4.812924 4.474317 7.799748 7.997527 2.618038 3.165347 9.463554 9.343716 2.548285 3.108344 11.385129 10.550526 1.785500 1.787403 0.000000 2.471775 7.464585 6.580086 8.956113 5.047173 9.967819 4.458540 11.424331 2.970523 12.496853 1.104722 2.191594 7.357952 7.351746 6.953354 6.979703 9.244488 9.240213 4.859142 4.896825 9.890494 9.887061 5.067361 4.960462 11.648390 11.644588 3.100725 2.734359 12.473794 13.506913 12.478288 0.000000 2.471712 7.928151 6.808128 9.315470 5.397070 10.487925 4.406061 11.857201 2.995953 13.051177 1.104852 2.192996 8.048540 7.831256 6.921283 7.182873 9.585780 9.404229 5.240269 5.577934 10.420690 10.578542 4.996021 4.545975 11.926987 12.064104 2.609930 3.331201 13.164092 14.004087 13.038660 1.797300 0.000000 3.005966 8.080697 7.464943 9.571189 6.014350 10.387710 5.783726 11.871218 4.603573 12.795481 2.190701 1.104507 8.103780 7.616778 7.665814 8.170090 10.122760 9.738254 5.359189 6.060196 10.037542 10.402924 6.694905 5.999497 12.007322 12.313402 4.939177 4.679909 12.849628 13.834582 12.555758 2.541802 3.112996 0.000000 3.002699 8.505085 7.662740 9.902890 6.306800 10.881238 5.742053 12.282171 4.619573 13.330354 2.191417 1.104629 8.729551 8.073872 7.633335 8.341373 10.430820 9.889093 5.701527 6.618206 10.553067 11.055360 6.640793 5.661033 12.271957 12.705341 4.649137 5.050632 13.513449 14.313606 13.105194 3.112484 2.547291 1.788490 0.000000 3.808116 9.342883 8.512688 10.820794 7.029178 11.774676 6.438634 13.234170 5.053349 14.254321 2.181184 1.105930 9.375501 9.008363 8.675459 9.075555 11.260824 10.957751 6.563140 7.083201 11.517430 11.798554 7.196559 6.612837 13.347074 13.589381 5.006133 5.144468 14.315556 15.273107 14.085266 2.543916 2.542243 1.789175 1.788750 0.000000 2.5173396 0.1489411 0.1431308 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= 164 165 165 165 165 MxSgAt= 36 MxSgA2= 36. SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 7750 NPrTT= 36908 LenC2= 6373 LenP2D= 19842. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 176 RedAO= T EigKep= 1.52D-03 NBF= 176 NBsUse= 176 1.00D-06 EigRej= -1.00D+00 NBFU= 176 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= 164 164 164 164 164 MxSgAt= 36 MxSgA2= 36. 1 Closed 1 0 1 -830.541456065722 -830.662230992512 -0.120774926791 -830.919846055644 -0.257615063131 -830.919135035655 0.000711019989 -830.921606672445 -0.002471636790 -830.921645997809 -0.000039325364 -830.921649222178 -0.000003224369 -830.921787394609 -0.000138172430 -830.921787504440 -0.000000109831 -830.921787502967 0.000000001473 -830.921787529642 -0.000000026675 -830.921787530231 -0.000000000589 -830.921787530242 -0.000000000011 -830.921787530265 -0.000000000023 -830.921787530 14 8.278025103181e+02 -3.483256044141e+03 1.057506535986e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=124199866. IVT= 113662 IEndB= 113662 NGot= 402653184 MDV= 281225847 LenX= 281225847 LenY= 281194430 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= 15576 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. -2.63709142e-01 -3.09264045e-01 4.40694167e-01 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 16 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 1 1 1 1 0.009787561 0.013307706 -0.017407465 0.000674534 -0.004799219 -0.003816516 -0.001711926 0.004930060 0.003232829 -0.000921602 0.005242987 0.003492839 0.000038000 -0.000622807 -0.004447965 0.002074547 -0.004507703 -0.003491199 0.005235845 -0.008169526 0.002236396 0.001037302 0.000669144 0.000240583 -0.002975852 -0.016121753 0.007707426 0.005944464 -0.000441411 -0.001425715 -0.010279587 -0.003889756 0.009920337 -0.010963019 0.010364966 -0.002541947 0.000325437 -0.001138678 0.001850031 -0.000215344 0.000847232 -0.001587901 -0.000289852 0.001042468 -0.001596581 0.000384766 -0.001579622 0.001760484 0.000338220 -0.001281075 0.001711718 -0.000288492 0.001071804 -0.001718757 0.000010028 -0.000983325 -0.000840189 0.000225323 -0.001743029 0.002087932 -0.000301134 0.001249701 -0.001772430 0.000332590 -0.001135123 0.002002613 0.000938191 0.001058794 0.001478065 -0.001605747 0.001207020 0.001107578 -0.001056522 0.000476571 -0.000982906 -0.000706935 -0.000893819 0.001060874 -0.001464489 -0.000191555 -0.001418917 0.001964594 0.000458738 0.001148193 -0.000290931 -0.000164797 0.006894709 0.006834774 -0.001193387 -0.002022801 -0.002043118 0.006020593 -0.002588137 0.000330659 0.001088954 0.000478021 -0.000499694 -0.000414528 -0.001031587 0.003482853 0.001979529 0.001572541 0.000452664 -0.002465613 -0.003482738 -0.004798108 0.000720458 0.002190582 0.017407465 0.004253279 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -830.929161696832 -830.929193447998 -0.000031751166 -830.929193624918 -0.000000176920 -830.929193660993 -0.000000036076 -830.929193672092 -0.000000011098 -830.929193672484 -0.000000000392 -830.929193672497 -0.000000000013 -830.929193672 7 8.272942004312e+02 -3.455660318457e+03 1.044012843675e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=124199866. IVT= 113662 IEndB= 113662 NGot= 402653184 MDV= 281225847 LenX= 281225847 LenY= 281194430 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= 15576 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 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O 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 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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 H 1S 2S 14 H 1S 2S 15 H 1S 2S 16 H 1S 2S 17 H 1S 2S 18 H 1S 2S 19 H 1S 2S 20 H 1S 2S 21 H 1S 2S 22 H 1S 2S 23 H 1S 2S 24 H 1S 2S 25 H 1S 2S 26 H 1S 2S 27 H 1S 2S 28 H 1S 2S 29 H 1S 2S 30 H 1S 2S 31 H 1S 2S 32 H 1S 2S 33 H 1S 2S 34 H 1S 2S 35 H 1S 2S 36 H 1S 2S 1 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 1 S 1S|2S|3S|4S|5S|6S|7PX|7PY|7PZ|8PX|8PY|8PZ|9PX|9PY|9PZ|10PX|10PY|10PZ|2 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|3 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|4 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|5 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|6 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|7 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|8 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|9 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|10 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|11 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|12 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|13 H 1S|2S|14 H 1S|2S|15 H 1S|2S|16 H 1S|2S|17 H 1S|2S|18 H 1S|2S|19 H 1S|2S|20 H 1S|2S|21 H 1S|2S|22 H 1S|2S|23 H 1S|2S|24 H 1S|2S|25 H 1S|2S|26 H 1S|2S|27 H 1S|2S|28 H 1S|2S|29 H 1S|2S|30 H 1S|2S|31 H 1S|2S|32 H 1S|2S|33 H 1S|2S|34 H 1S|2S|35 H 1S|2S|36 H 1S|2S 0.74104 1.22736 0.97752 1.00929 1.06592 0.88761 1.79146 1.79763 1.80595 0.21230 0.21162 0.21048 0.60622 0.68220 0.78698 0.43222 0.59901 0.82226 1.17431 0.81421 0.72354 0.61927 0.85992 0.88492 0.90641 0.05385 0.15291 0.19315 1.17431 0.81422 0.72354 0.61909 0.86080 0.88414 0.90643 0.04861 0.14891 0.18857 1.17431 0.81422 0.72401 0.61717 0.86080 0.88399 0.90608 0.05265 0.14937 0.18845 1.17430 0.81424 0.72400 0.61704 0.85654 0.89082 0.90700 0.04319 0.14688 0.18203 1.17432 0.81424 0.72491 0.61165 0.85955 0.88377 0.90579 0.04265 0.14990 0.18670 1.17430 0.81423 0.72238 0.62209 0.84792 0.89016 0.91607 0.03008 0.16379 0.19691 1.17431 0.81428 0.72454 0.60673 0.85489 0.88509 0.90845 0.05904 0.14225 0.18670 1.17437 0.81418 0.71612 0.78345 0.89526 0.82388 0.90570 0.13562 0.17116 0.24141 1.17427 0.81436 0.72500 0.68403 0.89223 0.89365 0.91246 0.18424 0.18955 0.22683 1.17436 0.81429 0.71969 0.74842 0.79796 0.91122 0.91895 0.12342 0.14724 0.22356 1.17424 0.81440 0.72360 0.68449 0.90495 0.87947 0.92305 0.19339 0.14913 0.21062 0.51372 0.29604 0.51352 0.29149 0.51362 0.29351 0.51375 0.30081 0.51368 0.29874 0.51366 0.29662 0.51254 0.27141 0.51331 0.30030 0.51350 0.29780 0.51355 0.29926 0.51235 0.28342 0.51160 0.27109 0.51419 0.29086 0.51421 0.29162 0.51182 0.23658 0.51118 0.24257 0.51097 0.27957 0.51144 0.27396 0.51094 0.27905 0.51148 0.24358 0.51145 0.24368 0.50871 0.26177 0.50884 0.26216 0.50916 0.27371 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 S 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 H H H H 0.132917 -0.382485 -0.368624 -0.371041 -0.356036 -0.353484 -0.377941 -0.356286 -0.661153 -0.696617 -0.579115 -0.657325 0.190239 0.194986 0.192872 0.185433 0.187582 0.189721 0.216043 0.186391 0.188696 0.187188 0.204236 0.217314 0.194950 0.194167 0.251601 0.246249 0.209457 0.214593 0.210004 0.244941 0.244866 0.229528 0.229003 0.217129 0.00000 -3.00586414e-01 -4.42197792e-01 3.96073164e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -0.7640 -1.1240 1.0067 1.6913 -77.8454 -85.7752 -86.2088 1.9477 -4.3397 -0.7761 5.4311 -2.4987 -2.9324 1.9477 -4.3397 -0.7761 -22.4928 -16.2309 5.2632 17.8136 -9.6582 17.5034 28.2491 -5.1218 0.4524 -1.4846 -9109.5711 -603.4296 -201.3215 -36.9437 -105.7289 46.9966 6.0670 -27.2451 14.8603 -1692.6736 -1639.7544 -138.0805 -3.2724 -6.8803 15.2625 0 -830.9291937 8.906E-9 3.239E-6 4.0378742,-1.8577417,-2.1801325,1.4480984,-3.2264265,-0.5770234 C01 [X(C11H24S1)] -0.3005864 -0.4421978 0.3960732 @ -0.000000872 -0.000000340 0.000000996 -0.000000065 -0.000000198 0.000000723 -0.000000267 -0.000002616 0.000002929 0.000000126 -0.000002215 0.000001466 0.000002057 -0.000000922 0.000001138 0.000001620 -0.000000043 -0.000002126 0.000002148 0.000003555 0.000009404 -0.000003048 -0.000003705 0.000000547 -0.000002391 -0.000000413 0.000004413 0.000001422 0.000003154 -0.000006003 -0.000002167 -0.000001492 0.000000795 -0.000003599 0.000000088 -0.000002832 0.000000136 0.000004229 -0.000002477 -0.000000442 -0.000000077 -0.000003522 -0.000000342 -0.000005643 0.000002529 -0.000000392 0.000003127 0.000005109 0.000000819 0.000002088 0.000003099 -0.000001401 -0.000005441 0.000001596 0.000000973 0.000000422 0.000000307 -0.000002757 0.000003234 0.000000822 -0.000000954 -0.000001234 -0.000005894 0.000000494 0.000003959 -0.000004842 -0.000000091 -0.000001881 0.000007967 0.000001057 -0.000004710 0.000006497 -0.000001156 -0.000004797 -0.000001023 0.000001921 0.000001338 -0.000000106 0.000003226 0.000001191 0.000006988 0.000001059 0.000006398 0.000002997 -0.000000454 0.000003652 -0.000007699 -0.000001338 -0.000001392 -0.000002534 0.000000816 -0.000004206 -0.000008514 0.000003182 0.000005733 -0.000000995 0.000000546 0.000002521 0.000002116 -0.000000890 -0.000000377 -0.000007323 0.000000242 -0.000004543 -0.000001908 0.000000781 0.000001554 -0.000004642 164.18269999999995 AuxInfo=1/0/N:10,12,8,11,6,4,2,3,5,7,9,1/rA:36SCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHH/rB:;s2;s2;s3;s4;s5;s6;s1s7;s8;s1;s11;s2;s2;s3;s3;s4;s4;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s10;s11;s11;s12;s12;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2072 CBGUSER 000292851 EM64L-G09RevD.01 24-Apr-2018 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 102 C1[X(C11H24S)] RPBEPBE SDD Freq #pfreq=noraman PBEPBE/SDD 164.18269999999995 0 1 AuxInfo=1/0/N:10,12,8,11,6,4,2,3,5,7,9,1/rA:36SCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHH/rB:;s2;s2;s3;s4;s5;s6;s1s7;s8;s1;s11;s2;s2;s3;s3;s4;s4;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s10;s11;s11;s12;s12;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-6026.inp" -scrdir="/scratch/" chk=000292851-Freq.chk nprocshared=4 mem=3GB #p freq=noraman PBEPBE/SDD 1/10=4,30=1,38=1/1,3 2/12=2,17=6,18=5,40=1/2 3/5=17,6=7,11=2,16=1,25=1,30=1,71=2,74=1009,140=1/1,2,3 4//1 5/5=2,38=5,98=1/2 8/6=4,10=90,11=11/1 11/6=1,8=1,9=11,15=111,16=1/1,2,10 10/6=1/2 6/7=2,8=2,9=2,10=2,18=1,28=1/1 7/8=1,10=1,25=1/1,2,3,16 1/10=4,30=1/3 99//99 000292851 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 32 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 1 1 1 1 31.9720718 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 1.0078250 1.0078250 1.0078250 1.0078250 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 1 1 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 (Enter /mnt/data/applications/G09/g09/l101.exe) Initialization pass. 3.00e-01 1.00e-07 1.00e-07 2 2 Search for a local minimum. |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000107 0.000028 0.073726 0.028825 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -4.905560e-06 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 753.4240921788 176 396 176 53 53 IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 164.18269999999995 AuxInfo=1/0/N:10,12,8,11,6,4,2,3,5,7,9,1/rA:36SCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHH/rB:;s2;s2;s3;s4;s5;s6;s1s7;s8;s1;s11;s2;s2;s3;s3;s4;s4;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s10;s11;s11;s12;s12;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 5.685472 0.000000 4.746239 1.545292 0.000000 7.103839 1.545567 2.581298 0.000000 3.332715 2.581838 1.545127 3.964451 0.000000 8.183215 2.583660 3.965562 1.545367 5.165464 0.000000 2.838444 3.958641 2.571957 5.153200 1.545912 6.503697 0.000000 9.580908 3.966786 5.163801 2.582511 6.511371 1.546025 7.735653 0.000000 1.900743 5.173707 3.961371 6.510978 2.592990 7.756701 1.538565 9.080127 0.000000 10.716316 5.160806 6.506575 3.961469 7.742574 2.577157 9.064417 1.544097 10.333413 0.000000 1.896786 7.425143 6.468447 8.879203 4.983868 9.942264 4.283882 11.368254 2.872522 12.480543 0.000000 2.812001 8.332739 7.526232 9.796826 6.070619 10.746624 5.558688 12.195804 4.276053 13.219472 1.535661 0.000000 5.885753 1.110266 2.180348 2.180157 2.804936 2.813148 4.246610 4.253601 5.279083 5.277881 7.480776 8.419918 0.000000 5.447855 1.109976 2.179930 2.180789 2.816422 2.812821 4.252541 4.257492 5.320493 5.280972 7.235287 7.962746 1.775638 0.000000 4.868423 2.179711 1.110283 2.815432 2.180076 4.255855 2.796856 5.288134 4.258145 6.690870 6.669130 7.655568 3.095538 2.529834 0.000000 5.371374 2.179852 1.110719 2.802700 2.180817 4.248058 2.799653 5.272027 4.222083 6.678259 6.953249 8.149156 2.540757 3.095393 1.776516 0.000000 7.529758 2.179968 2.809693 1.110458 4.247499 2.179859 5.266205 2.807746 6.666202 4.247763 9.230645 10.275614 2.534516 3.095881 3.142897 2.572909 0.000000 7.193010 2.180227 2.808653 1.110346 4.255183 2.180070 5.270504 2.813277 6.698999 4.252046 9.033308 9.905156 3.095682 2.537091 2.585872 3.120628 1.776019 0.000000 2.893677 2.812896 2.182618 4.260119 1.108090 5.290157 2.182469 6.701189 2.858657 7.830800 4.680217 5.537514 3.124094 2.592161 2.540873 3.097397 4.788883 4.460612 0.000000 3.675959 2.817494 2.182117 4.254156 1.110186 5.288534 2.179811 6.691818 2.800489 7.824695 5.075556 6.201732 2.583649 3.151967 3.097110 2.534879 4.437038 4.790871 1.774378 0.000000 8.025639 2.816823 4.257139 2.181183 5.292137 1.110265 6.691456 2.179982 7.861076 2.803852 9.807533 10.468510 3.142653 2.589692 4.447425 4.786373 3.096278 2.534438 5.181782 5.480751 0.000000 8.322215 2.811492 4.254309 2.181245 5.280396 1.110369 6.683624 2.179751 7.827545 2.802899 9.982595 10.812232 2.584073 3.132719 4.790718 4.446637 2.538509 3.096472 5.460469 5.167636 1.775818 0.000000 3.811697 4.224905 2.774463 5.237817 2.176269 6.653672 1.110409 7.777863 2.154551 9.160739 5.016707 6.403463 4.430407 4.767000 3.084979 2.540929 5.113724 5.407136 3.093327 2.543857 7.014947 6.787892 0.000000 2.999716 4.261724 2.824449 5.297153 2.184795 6.702550 1.108392 7.841709 2.173065 9.216645 4.544723 5.691912 4.794048 4.447282 2.593398 3.157990 5.480792 5.179267 2.527988 3.097454 6.825678 7.053661 1.777216 0.000000 9.647414 4.253156 5.279575 2.808346 6.691481 2.178304 7.813165 1.109315 9.215128 2.182208 11.489208 12.283730 4.786469 4.450516 5.168222 5.445233 3.127075 2.582352 6.830310 7.044201 2.533561 3.093481 7.891102 7.761614 0.000000 9.894447 4.248846 5.276354 2.807609 6.681294 2.178098 7.805473 1.109366 9.185593 2.181989 11.638000 12.576897 4.439296 4.786038 5.465294 5.148356 2.575462 3.134703 7.043095 6.802723 3.093479 2.533278 7.689071 7.961714 1.774622 0.000000 2.464441 6.091175 4.756606 7.336396 3.543548 8.660148 2.189505 9.918107 1.105354 11.229423 2.906163 4.373345 6.247043 6.295261 4.924199 4.875568 7.408150 7.448513 3.872052 3.804186 8.810179 8.771141 2.469895 2.518362 10.000389 9.965032 0.000000 2.476375 5.300176 4.257006 6.693544 2.834449 7.840883 2.193125 9.210598 1.105665 10.395126 3.051749 4.477229 5.170951 5.510672 4.797554 4.421072 6.790367 7.052798 3.189942 2.588106 7.991228 7.754293 2.540111 3.100720 9.474025 9.274245 1.800376 0.000000 10.863186 5.317348 6.722813 4.283642 7.858718 2.843401 9.231620 2.197988 10.425603 1.106552 12.553587 13.314191 5.200074 5.498138 7.077036 6.839909 4.471544 4.815809 7.987032 7.783491 3.165427 2.616064 9.293980 9.510863 3.108430 2.548178 11.353077 10.369524 0.000000 11.686939 6.100813 7.361104 4.781487 8.672530 3.540924 9.932532 2.205170 11.254187 1.105723 13.470631 14.231170 6.266708 6.271555 7.470728 7.454211 4.935429 4.941603 8.802306 8.792229 3.820731 3.819550 9.971708 10.035613 2.531228 2.530621 12.111854 11.346006 1.787434 0.000000 10.638171 5.321592 6.726091 4.284738 7.868256 2.844197 9.238950 2.198091 10.452635 1.106521 12.415834 13.036832 5.502016 5.207718 6.849490 7.068091 4.812924 4.474317 7.799748 7.997527 2.618038 3.165348 9.463554 9.343716 2.548285 3.108344 11.385128 10.550527 1.785500 1.787403 0.000000 2.471775 7.464585 6.580086 8.956114 5.047173 9.967818 4.458540 11.424330 2.970522 12.496854 1.104723 2.191594 7.357952 7.351746 6.953353 6.979703 9.244488 9.240213 4.859142 4.896825 9.890495 9.887060 5.067360 4.960461 11.648390 11.644588 3.100724 2.734358 12.473794 13.506913 12.478288 0.000000 2.471712 7.928151 6.808128 9.315471 5.397070 10.487925 4.406061 11.857201 2.995953 13.051177 1.104852 2.192995 8.048541 7.831256 6.921283 7.182873 9.585780 9.404229 5.240269 5.577934 10.420690 10.578542 4.996021 4.545974 11.926987 12.064104 2.609931 3.331201 13.164092 14.004088 13.038660 1.797300 0.000000 3.005966 8.080697 7.464942 9.571189 6.014349 10.387709 5.783726 11.871217 4.603573 12.795481 2.190700 1.104508 8.103780 7.616778 7.665814 8.170090 10.122760 9.738254 5.359189 6.060196 10.037542 10.402924 6.694905 5.999497 12.007321 12.313402 4.939177 4.679908 12.849628 13.834582 12.555758 2.541802 3.112995 0.000000 3.002698 8.505084 7.662740 9.902890 6.306799 10.881237 5.742052 12.282170 4.619573 13.330354 2.191415 1.104629 8.729551 8.073871 7.633334 8.341373 10.430820 9.889093 5.701526 6.618206 10.553066 11.055360 6.640792 5.661032 12.271956 12.705340 4.649136 5.050631 13.513449 14.313605 13.105194 3.112483 2.547290 1.788490 0.000000 3.808116 9.342884 8.512687 10.820794 7.029178 11.774675 6.438634 13.234170 5.053350 14.254321 2.181184 1.105930 9.375501 9.008363 8.675459 9.075556 11.260824 10.957752 6.563140 7.083201 11.517430 11.798554 7.196559 6.612837 13.347074 13.589381 5.006133 5.144468 14.315556 15.273108 14.085266 2.543917 2.542243 1.789175 1.788749 0.000000 C11H24S 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 0 164.18269999999995 AuxInfo=1/0/N:10,12,8,11,6,4,2,3,5,7,9,1/rA:36SCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHH/rB:;s2;s2;s3;s4;s5;s6;s1s7;s8;s1;s11;s2;s2;s3;s3;s4;s4;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s10;s11;s11;s12;s12;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 2.5173397 0.1489411 0.1431308 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= 7750 NPrTT= 36908 LenC2= 6373 LenP2D= 19842. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 176 RedAO= T EigKep= 1.52D-03 NBF= 176 NBsUse= 176 1.00D-06 EigRej= -1.00D+00 NBFU= 176 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= 164 164 164 164 164 MxSgAt= 36 MxSgA2= 36. 1 Closed 1 0 1 -830.565124979450 -830.676711250064 -0.111586270614 -830.924871697401 -0.248160447337 -830.923471223824 0.001400473578 -830.928997843265 -0.005526619442 -830.929086607184 -0.000088763919 -830.929090947307 -0.000004340123 -830.929176860154 -0.000085912847 -830.929176972911 -0.000000112757 -830.929176981536 -0.000000008625 -830.929177009687 -0.000000028152 -830.929177010396 -0.000000000708 -830.929177010439 -0.000000000044 -830.929177010420 0.000000000020 -830.929177010 14 8.272942379371e+02 -3.455660315318e+03 1.044012808191e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep J ints in memory in canonical form, NReq=124200166. IVT= 113962 IEndB= 113962 NGot= 402653184 MDV= 281225547 LenX= 281225547 LenY= 281194130 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= 15576 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. Using compressed storage, NAtomX= 36. Will process 37 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=111111111111111111111111111111111111 Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. MDV= 402652644 using IRadAn= 2. Generate precomputed XC quadrature information. Keep J ints in memory in canonical form, NReq=124096712. 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= 15576 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Solving linear equations simultaneously, MaxMat= 0. There are 111 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 108 vectors produced by pass 0 Test12= 6.52D-15 1.00D-09 XBig12= 1.38D+02 3.30D+00. AX will form 108 AO Fock derivatives at one time. 108 vectors produced by pass 1 Test12= 6.52D-15 1.00D-09 XBig12= 1.00D+01 6.38D-01. 108 vectors produced by pass 2 Test12= 6.52D-15 1.00D-09 XBig12= 2.88D-02 2.17D-02. 105 vectors produced by pass 3 Test12= 6.52D-15 1.00D-09 XBig12= 3.54D-06 1.97D-04. 39 vectors produced by pass 4 Test12= 6.52D-15 1.00D-09 XBig12= 9.49D-11 8.82D-07. 3 vectors produced by pass 5 Test12= 6.52D-15 1.00D-09 XBig12= 2.92D-15 9.53D-09. InvSVY: IOpt=1 It= 1 EMax= 1.07D-14 Solved reduced A of dimension 471 with 111 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 139.70 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 184.622 -8.086 125.379 2.567 1.968 109.086 226.845 -13.707 208.393 5.994 10.642 189.560 (Enter /mnt/data/applications/G09/g09/l716.exe) PT1203.600S 2018-04-24T15:20:04.000+02:00 -88.05870 -9.91861 -9.91605 -9.89413 -9.88925 -9.88361 -9.88290 -9.88256 -9.88119 -9.88102 -9.88073 -9.87558 -7.65957 -5.68296 -5.67862 -5.66820 -0.73490 -0.72074 -0.70550 -0.68396 -0.65203 -0.61893 -0.58609 -0.54748 -0.52782 -0.50807 -0.50734 -0.50033 -0.42423 -0.41078 -0.40411 -0.39171 -0.38819 -0.37751 -0.36826 -0.35909 -0.35432 -0.34137 -0.33459 -0.32552 -0.31239 -0.30950 -0.30422 -0.29550 -0.28845 -0.28122 -0.27965 -0.27295 -0.27096 -0.26707 -0.25676 -0.25132 -0.17386 0.00912 0.03947 0.08505 0.09162 0.09340 0.09945 0.10246 0.11391 0.12597 0.12845 0.14249 0.14612 0.15126 0.15532 0.16210 0.16467 0.16548 0.17246 0.17528 0.17753 0.18233 0.18290 0.18431 0.19235 0.19411 0.19686 0.20159 0.20765 0.22117 0.22341 0.22898 0.24131 0.24533 0.24780 0.26101 0.26567 0.27424 0.28150 0.28391 0.29438 0.29574 0.30188 0.31206 0.31308 0.31474 0.31817 0.32615 0.33215 0.33905 0.36512 0.37241 0.37685 0.38744 0.40076 0.42482 0.42938 0.44426 0.45582 0.48173 0.49270 0.50072 0.50728 0.52443 0.53202 0.54231 0.55287 0.58423 0.62098 0.65593 0.72381 0.74994 0.79314 0.81549 0.84962 0.88324 0.89740 0.90755 0.93182 0.95686 0.97750 0.98454 0.99422 0.99802 1.01882 1.02764 1.03824 1.05353 1.05580 1.08346 1.08719 1.08811 1.09797 1.11945 1.12944 1.14240 1.15401 1.17358 1.18139 1.19155 1.19812 1.21126 1.25152 1.26797 1.29137 1.34767 1.43484 1.54003 5.16964 5.18212 5.31881 7.37734 22.48086 22.51921 22.54786 22.58239 22.61320 22.63103 22.64175 22.66187 22.67891 22.69122 22.69683 191.61200 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 S 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 H H H H 0.132912 -0.382452 -0.368624 -0.371031 -0.355965 -0.353435 -0.378006 -0.356269 -0.661197 -0.696627 -0.579095 -0.657355 0.190231 0.194969 0.192870 0.185425 0.187568 0.189716 0.216027 0.186384 0.188674 0.187178 0.204236 0.217321 0.194946 0.194157 0.251622 0.246274 0.209456 0.214592 0.210001 0.244941 0.244872 0.229536 0.229011 0.217137 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 11 12 S C C C C C C C C C C C 0.132912 0.002747 0.009672 0.006254 0.046445 0.022417 0.043551 0.032834 -0.163301 -0.062577 -0.089282 0.018328 0.00000 2.94415660e-01 4.70069310e-01 3.67616896e-01 1.84621666e+02 -8.08585106e+00 1.25379156e+02 2.56724221e+00 1.96792636e+00 1.09085814e+02 -23.4266 -6.1730 -3.5538 -0.0024 -0.0024 -0.0013 18.7037 25.3734 35.1641 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 9.7312 25.0312 34.9417 44.3156 56.9194 67.7774 81.6171 95.7699 124.3821 134.4845 140.0502 159.7136 206.7334 218.9130 238.8833 275.9201 295.0993 323.1100 409.1461 446.6729 495.0269 627.0964 639.9879 719.0251 723.9040 742.1359 783.5712 789.4966 831.9911 866.2093 886.7278 930.1900 973.7053 996.0604 997.8159 1005.7279 1029.6511 1038.7771 1045.6147 1062.9249 1068.0889 1079.5226 1081.1563 1102.7576 1118.1789 1175.6662 1187.7325 1216.0825 1227.6877 1241.3896 1247.6641 1261.1622 1266.9403 1279.3554 1282.0388 1288.4009 1290.2618 1297.0053 1308.7149 1328.7557 1349.2304 1352.8370 1357.7283 1387.9629 1395.0564 1447.8209 1452.9612 1459.6438 1461.0263 1461.2486 1464.7300 1470.0918 1470.3532 1475.5511 1476.6898 1483.0640 1484.3975 1487.6167 2946.8330 2948.8182 2951.0774 2957.4924 2959.3965 2965.9069 2967.8435 2970.7353 2982.4039 2984.0910 2988.5720 2991.2520 2999.5305 3001.3258 3010.0333 3020.4315 3034.0803 3044.1679 3060.6364 3064.4561 3067.1482 3069.4611 3078.0414 3095.2628 1.7151 3.5650 3.0692 4.1166 2.2245 2.1641 2.0312 3.0996 1.8453 2.9775 2.5620 3.0740 2.3679 1.1228 1.1037 2.9288 3.4804 3.3504 2.8305 3.3338 2.7828 4.4399 3.4615 1.0624 1.0870 1.1509 1.2375 1.1268 1.4005 1.3492 1.9024 1.2971 2.3792 3.4379 1.8187 1.2877 1.3908 1.9300 2.9922 1.8067 1.8360 2.1622 2.1809 1.8137 2.3267 1.5501 1.5890 1.4116 1.3378 1.2391 1.3010 1.2864 1.2514 1.0342 1.1686 1.0940 1.1204 1.3143 1.2024 1.4116 1.5523 1.6999 1.6219 1.2167 1.2066 1.0899 1.0778 1.0743 1.0866 1.0687 1.0759 1.0792 1.0395 1.0430 1.0804 1.0891 1.0479 1.0902 1.0590 1.0589 1.0593 1.0596 1.0602 1.0612 1.0603 1.0365 1.0961 1.0355 1.0978 1.0585 1.0996 1.0570 1.0983 1.1035 1.1044 1.1041 1.1068 1.1072 1.1007 1.0993 1.0988 1.1030 0.0001 0.0013 0.0022 0.0048 0.0042 0.0059 0.0080 0.0167 0.0168 0.0317 0.0296 0.0462 0.0596 0.0317 0.0371 0.1314 0.1786 0.2061 0.2792 0.3919 0.4018 1.0287 0.8353 0.3236 0.3356 0.3735 0.4477 0.4138 0.5712 0.5964 0.8813 0.6612 1.3290 2.0096 1.0669 0.7674 0.8688 1.2270 1.9275 1.2027 1.2341 1.4846 1.5020 1.2995 1.7140 1.2624 1.3207 1.2300 1.1880 1.1251 1.1932 1.2055 1.1835 0.9973 1.1316 1.0700 1.0990 1.3026 1.2133 1.4685 1.6649 1.8330 1.7616 1.3810 1.3835 1.3461 1.3406 1.3485 1.3666 1.3445 1.3599 1.3741 1.3242 1.3380 1.3881 1.4113 1.3604 1.4214 5.4180 5.4249 5.4354 5.4608 5.4706 5.4999 5.5025 5.3896 5.7444 5.4327 5.7769 5.5804 5.8288 5.6099 5.8627 5.9312 5.9898 6.0285 6.1084 6.1260 6.1010 6.1020 6.1336 6.2262 0.0407 0.1017 2.5946 0.6028 0.0242 0.1218 0.3311 0.1168 0.0397 0.2304 0.0898 0.0548 0.3681 0.0009 0.0465 0.4204 0.2396 1.7728 0.3735 0.2684 0.3772 4.5673 0.4953 15.1128 0.3739 4.8235 2.3160 7.9864 8.5269 2.6058 4.9913 1.4891 2.0424 0.6683 15.6928 0.5356 1.1182 4.3483 0.8061 2.5887 0.3328 0.8697 0.4612 4.2628 10.5807 3.6704 3.6956 7.5346 0.2886 0.8090 14.8705 6.9132 12.2273 1.7804 5.9291 0.4643 1.3383 1.1466 6.7695 0.1999 0.9096 0.4141 2.7333 11.3345 17.6789 11.7742 2.6772 0.0441 3.0946 0.2651 0.4297 1.8680 14.5131 12.2544 2.4900 5.1350 7.5201 27.1629 1.8202 1.8384 0.1318 22.2205 1.3636 3.0814 219.1234 39.2231 2.8184 39.4012 2.9075 37.1099 4.5571 30.5324 4.5488 2.0225 26.8787 166.7397 38.9679 20.7092 101.5434 56.6062 33.7852 49.3970 16 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 1 1 1 1 0.01 0.00 -0.01 0.01 -0.03 -0.09 -0.01 0.02 -0.01 -0.02 0.04 0.06 0.00 -0.02 -0.08 0.01 -0.04 -0.06 0.00 0.00 -0.05 -0.02 0.06 0.13 -0.01 0.01 -0.03 0.01 -0.03 0.00 -0.01 0.01 0.04 0.00 0.00 0.10 0.07 -0.19 -0.10 -0.02 0.02 -0.25 -0.03 0.14 0.00 0.00 -0.02 0.10 0.00 -0.03 0.25 -0.07 0.24 0.08 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