Gaussian 09 GINC-KIMIK2019 CBGUSER 000251829 EM64L-G09RevD.01 8-Feb-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 208.12599999999992 0 1 AuxInfo=1/0/N:16,13,15,10,8,9,6,7,12,5,14,11,4,3,2,1/E:(5,6)(7,8)/CRV:1.3,3.3,11.3,12.3,13.1,14.1/rA:34OOO1O1CCCCCCC3CCC3C3C3HHHHHHHHHHHHHHHHHH/rB:;;;s1;s5;s5;s6;s7;s8s9;s1s3;s2s11;s12;s2s4;s14;s15;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s12;s13;s13;s13;s15;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-11824.inp" -scrdir="/scratch/" chk=000251829.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 000251829 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 16 16 16 16 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 (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 1 1 2 2 3 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 11 12 12 13 13 13 14 15 15 16 16 5 11 12 14 11 14 6 7 17 8 18 19 9 20 21 10 22 23 10 24 25 26 27 12 13 28 29 30 31 15 16 32 33 34 1.4808 1.3696 1.4538 1.3885 1.2044 1.2085 1.5304 1.5299 1.1105 1.5337 1.1088 1.1055 1.5331 1.108 1.1078 1.5354 1.1064 1.1075 1.5353 1.1076 1.1066 1.1059 1.1073 1.5348 1.5149 1.1181 1.0983 1.0999 1.1003 1.4775 1.332 1.0942 1.0841 1.0877 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 5 12 1 1 1 6 6 7 5 5 5 8 8 18 5 5 5 9 9 20 6 6 6 10 10 22 7 7 7 10 10 24 8 8 8 9 9 26 1 1 3 2 2 2 11 11 13 12 12 12 29 29 30 2 2 4 14 14 16 15 15 33 1 2 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 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 15 15 15 16 16 16 11 14 6 7 17 7 17 17 8 18 19 18 19 19 9 20 21 20 21 21 10 22 23 22 23 23 10 24 25 24 25 25 9 26 27 26 27 27 3 12 12 11 13 28 13 28 28 29 30 31 30 31 31 4 15 15 16 32 32 33 34 34 118.3967 117.825 102.6374 107.4557 107.7134 113.4142 112.7696 112.1022 109.9934 109.499 110.2459 110.4863 110.8175 105.7163 110.1581 109.9309 109.7519 110.6027 110.4816 105.8308 111.3897 109.618 109.8777 109.9656 109.8443 106.0028 111.3939 109.8243 109.6323 109.9301 109.9835 105.9303 111.3904 109.9017 109.7209 109.9114 109.6915 106.0855 122.952 107.5795 129.4669 106.961 104.8354 109.5964 111.7819 109.8011 113.5375 111.1607 110.9804 111.4762 108.2352 106.7656 108.0457 121.0626 108.1295 130.7982 121.0141 115.1734 123.8087 122.949 123.1752 113.8757 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 5 5 14 14 14 12 12 1 1 1 7 7 7 17 17 17 1 1 1 6 6 6 17 17 17 5 5 5 18 18 18 19 19 19 5 5 5 20 20 20 21 21 21 6 6 6 22 22 22 23 23 23 7 7 7 24 24 24 25 25 25 1 1 1 3 3 3 2 2 2 11 11 11 28 28 28 2 2 4 4 14 14 32 32 1 1 1 1 1 2 2 2 2 2 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 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 14 14 14 14 15 15 15 15 5 5 5 11 11 12 12 12 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 9 9 9 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 15 15 15 15 16 16 16 16 6 7 17 3 12 11 13 28 4 15 8 18 19 8 18 19 8 18 19 9 20 21 9 20 21 9 20 21 10 22 23 10 22 23 10 22 23 10 24 25 10 24 25 10 24 25 9 26 27 9 26 27 9 26 27 8 26 27 8 26 27 8 26 27 2 13 28 2 13 28 29 30 31 29 30 31 29 30 31 16 32 16 32 33 34 33 34 156.5419 -83.6298 37.3334 -1.365 178.2225 88.6961 -152.4807 -30.2846 4.091 -176.9257 170.8874 49.2916 -66.6135 55.287 -66.3088 177.7861 -73.5007 164.9035 48.9984 -167.9107 69.9594 -46.0501 -55.1993 -177.3293 66.6612 73.9292 -48.2008 -164.2103 -54.754 -176.687 67.2035 66.2509 -55.6821 -171.7915 -176.9149 61.1521 -54.9573 54.4924 -67.5399 176.4606 176.2243 54.1919 -61.8075 -66.9344 171.0332 55.0337 55.9766 178.0361 -65.681 177.7081 -60.2324 56.0505 -66.0003 56.0592 172.3421 -55.7982 -177.8521 65.8765 66.173 -55.8809 -172.1523 -177.5628 60.3833 -55.8882 -177.8814 67.9049 -59.0334 1.6703 -112.5434 120.5183 68.4147 -171.0675 -50.5771 -176.0653 -55.5474 64.943 -51.1774 69.3405 -170.1691 -178.7035 1.9837 0.1459 -179.1668 -179.5851 0.26 -0.3337 179.5114 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 193 204 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 34 34 34 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= 8778 NPrTT= 44346 LenC2= 7759 LenP2D= 25111. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 196 RedAO= T EigKep= 1.94D-03 NBF= 196 NBsUse= 196 1.00D-06 EigRej= -1.00D+00 NBFU= 196 Using GEDIIS/GDIIS optimizer. local minimum Step number 12 out of a maximum of 193 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00095 0.00306 0.00509 0.00518 0.00585 0.00644 0.01001 0.01059 0.01908 0.01914 0.02086 0.02133 0.02672 0.02993 0.03024 0.03736 0.03977 0.04026 0.04229 0.04587 0.04714 0.04812 0.04871 0.05163 0.05497 0.05559 0.05736 0.05783 0.05878 0.05972 0.05988 0.06246 0.07403 0.07785 0.07869 0.08036 0.08066 0.08096 0.08119 0.08415 0.08731 0.12002 0.12026 0.14156 0.14774 0.15732 0.15996 0.16001 0.16020 0.16121 0.16232 0.16770 0.17686 0.19219 0.21416 0.22036 0.24273 0.24952 0.25001 0.25334 0.25508 0.27634 0.27718 0.27951 0.28274 0.29124 0.29218 0.29647 0.30084 0.31232 0.31901 0.32612 0.32745 0.32803 0.32842 0.32865 0.32872 0.32889 0.32970 0.32991 0.33065 0.33135 0.33650 0.33787 0.33891 0.34325 0.34711 0.35086 0.35284 0.35674 0.38930 0.48395 0.51816 0.59392 0.88294 1.01767 RFO step: Lambda=-2.46004531D-08. 1 2 3 0.00196940 0.00000142 0.00000000 0.00000108 0.00000008 0.00000008 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 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 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 2.84999 2.62508 2.79677 2.66020 2.35901 2.37087 2.89780 2.90696 2.09341 2.93038 2.09321 2.08990 2.92885 2.08722 2.09337 2.92559 2.09084 2.09682 2.92512 2.09667 2.09051 2.09178 2.09661 2.91020 2.89883 2.08799 2.08398 2.08400 2.08462 2.80350 2.56636 2.06847 2.06894 2.07178 2.04157 2.01867 1.85875 1.90675 1.87349 1.96388 1.94077 1.91691 1.92022 1.89904 1.91930 1.91533 1.93403 1.87510 1.91844 1.91793 1.89603 1.93415 1.91676 1.87978 1.94313 1.91139 1.91035 1.92816 1.90625 1.86277 1.94305 1.90916 1.91096 1.90838 1.92850 1.86194 1.94053 1.92136 1.90571 1.92294 1.90584 1.86580 2.18233 1.89433 2.20601 1.91299 1.85898 1.90752 1.95493 1.87980 1.94937 1.91611 1.91546 1.93030 1.90180 1.89539 1.90441 2.14502 1.91551 2.22254 2.11388 2.03081 2.13847 2.12127 2.10115 2.06076 2.69410 -1.46374 0.61399 -0.04245 3.13185 1.22810 -2.93682 -0.82828 0.05039 -3.10698 3.08384 0.98500 -1.06437 0.99517 -1.10367 3.13015 -1.16366 3.02068 0.97132 -3.05648 1.09365 -0.95882 -0.99589 -3.12895 1.10176 1.17614 -0.95692 -3.00939 -0.96706 -3.10453 1.14214 1.12191 -1.01556 -3.05208 -3.09330 1.05241 -0.98410 0.96808 -1.14295 3.10564 3.09148 0.98045 -1.05414 -1.11697 3.05519 1.02060 0.96329 3.09928 -1.14068 3.09107 -1.05612 0.98710 -1.14831 0.98768 3.03090 -0.96499 -3.10006 1.13891 1.14650 -0.98857 -3.03279 -3.09241 1.05570 -0.98852 -2.89819 1.32559 -0.82459 0.27667 -1.78274 2.35027 1.03769 3.12759 -1.05356 3.12899 -1.06429 1.03775 -1.04380 1.04610 -3.13504 -3.12429 0.02507 0.00064 -3.13319 -3.13613 0.00081 -0.00279 3.13414 0.00001 -0.00003 0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00002 -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 0.00000 -0.00003 0.00000 0.00000 -0.00001 0.00001 0.00000 -0.00002 0.00001 0.00000 -0.00001 0.00000 0.00000 0.00001 0.00001 -0.00002 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00001 0.00000 -0.00001 0.00000 0.00001 0.00000 0.00000 0.00001 0.00001 -0.00001 -0.00001 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00001 -0.00001 0.00001 0.00000 0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00002 -0.00001 -0.00001 -0.00001 0.00001 0.00001 0.00001 0.00000 0.00000 0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00001 0.00000 0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00001 0.00002 0.00001 0.00000 -0.00001 0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00003 0.00006 0.00007 0.00008 0.00004 0.00002 0.00000 0.00002 -0.00002 -0.00006 0.00001 -0.00001 -0.00007 0.00000 0.00000 0.00001 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-0.00018 0.00008 0.00013 0.00009 0.00012 0.00017 0.00014 0.00011 0.00017 0.00013 0.00005 0.00005 0.00008 0.00008 0.00007 0.00010 0.00004 0.00003 0.00006 -0.00003 0.00001 -0.00006 -0.00003 0.00001 -0.00006 -0.00002 0.00002 -0.00005 0.00134 0.00129 0.00125 0.00134 0.00130 0.00125 0.00109 0.00109 0.00103 0.00122 0.00122 0.00115 0.00120 0.00120 0.00114 0.00036 0.00023 0.00018 0.00005 -0.00016 -0.00003 -0.00002 0.00011 0.00002 -0.00008 0.00000 -0.00006 -0.00001 -0.00001 -0.00003 -0.00005 -0.00002 0.00007 0.00000 -0.00002 0.00005 0.00000 0.00000 0.00001 0.00000 0.00001 -0.00001 0.00000 0.00000 0.00002 -0.00001 -0.00008 0.00002 -0.00004 -0.00002 0.00004 0.00002 0.00001 0.00004 0.00000 0.00001 0.00001 0.00002 -0.00005 0.00009 -0.00006 0.00002 0.00001 -0.00001 -0.00004 -0.00001 0.00000 -0.00001 0.00002 0.00001 -0.00001 -0.00004 -0.00003 -0.00001 0.00006 0.00006 -0.00004 -0.00001 0.00008 0.00000 -0.00003 -0.00001 -0.00002 -0.00002 0.00003 0.00008 -0.00001 -0.00005 -0.00003 0.00001 0.00001 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-0.00003 -0.00015 -0.00001 -0.00005 -0.00007 -0.00009 -0.00011 -0.00013 -0.00015 -0.00012 -0.00014 -0.00016 0.00016 0.00022 0.00015 0.00018 0.00024 0.00017 0.00020 0.00026 0.00019 0.00003 0.00000 0.00004 0.00011 0.00009 0.00013 0.00002 -0.00001 0.00004 -0.00007 -0.00003 -0.00008 -0.00005 -0.00001 -0.00006 -0.00011 -0.00007 -0.00012 0.00201 0.00220 0.00199 0.00204 0.00223 0.00202 0.00226 0.00228 0.00218 0.00221 0.00223 0.00213 0.00243 0.00245 0.00235 0.00031 0.00027 0.00046 0.00042 0.00004 -0.00018 0.00008 -0.00014 2.85005 2.62507 2.79685 2.66022 2.35904 2.37088 2.89777 2.90693 2.09337 2.93039 2.09322 2.08987 2.92883 2.08723 2.09337 2.92561 2.09085 2.09682 2.92514 2.09667 2.09051 2.09177 2.09659 2.91002 2.89883 2.08800 2.08393 2.08404 2.08460 2.80339 2.56638 2.06847 2.06890 2.07176 2.04157 2.01862 1.85884 1.90654 1.87352 1.96382 1.94088 1.91695 1.92019 1.89901 1.91936 1.91532 1.93406 1.87508 1.91841 1.91790 1.89598 1.93427 1.91681 1.87971 1.94312 1.91147 1.91038 1.92813 1.90620 1.86273 1.94300 1.90924 1.91103 1.90831 1.92848 1.86193 1.94048 1.92135 1.90573 1.92295 1.90585 1.86583 2.18229 1.89436 2.20602 1.91303 1.85880 1.90743 1.95494 1.87991 1.94947 1.91626 1.91549 1.93013 1.90173 1.89545 1.90440 2.14495 1.91553 2.22258 2.11385 2.03085 2.13846 2.12123 2.10105 2.06089 2.69410 -1.46387 0.61380 -0.04221 3.13212 1.22727 -2.93772 -0.82922 0.05035 -3.10687 3.08369 0.98490 -1.06446 0.99526 -1.10353 3.13029 -1.16366 3.02073 0.97137 -3.05658 1.09344 -0.95890 -0.99606 -3.12923 1.10162 1.17611 -0.95706 -3.00940 -0.96710 -3.10460 1.14205 1.12180 -1.01570 -3.05222 -3.09342 1.05227 -0.98426 0.96824 -1.14273 3.10579 3.09166 0.98069 -1.05397 -1.11677 3.05545 1.02079 0.96332 3.09928 -1.14063 3.09118 -1.05604 0.98723 -1.14829 0.98767 3.03094 -0.96505 -3.10009 1.13883 1.14645 -0.98859 -3.03285 -3.09252 1.05562 -0.98864 -2.89618 1.32778 -0.82260 0.27871 -1.78051 2.35229 1.03995 3.12987 -1.05138 3.13120 -1.06207 1.03987 -1.04137 1.04855 -3.13269 -3.12398 0.02534 0.00110 -3.13277 -3.13609 0.00063 -0.00271 3.13401 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000028 0.000007 0.008126 0.001969 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -1.246027e-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 1 1 2 2 3 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 11 12 12 13 13 13 14 15 15 16 16 5 11 12 14 11 14 6 7 17 8 18 19 9 20 21 10 22 23 10 24 25 26 27 12 13 28 29 30 31 15 16 32 33 34 1.5081 1.3891 1.48 1.4077 1.2483 1.2546 1.5335 1.5383 1.1078 1.5507 1.1077 1.1059 1.5499 1.1045 1.1078 1.5482 1.1064 1.1096 1.5479 1.1095 1.1063 1.1069 1.1095 1.54 1.534 1.1049 1.1028 1.1028 1.1031 1.4836 1.3581 1.0946 1.0948 1.0963 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 5 12 1 1 1 6 6 7 5 5 5 8 8 18 5 5 5 9 9 20 6 6 6 10 10 22 7 7 7 10 10 24 8 8 8 9 9 26 1 1 3 2 2 2 11 11 13 12 12 12 29 29 30 2 2 4 14 14 16 15 15 33 1 2 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 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 15 15 15 16 16 16 11 14 6 7 17 7 17 17 8 18 19 18 19 19 9 20 21 20 21 21 10 22 23 22 23 23 10 24 25 24 25 25 9 26 27 26 27 27 3 12 12 11 13 28 13 28 28 29 30 31 30 31 31 4 15 15 16 32 32 33 34 34 116.9734 115.6614 106.4987 109.2487 107.3429 112.5219 111.1978 109.831 110.0203 108.807 109.9679 109.7401 110.8117 107.4352 109.9182 109.8892 108.6346 110.8188 109.8222 107.7033 111.3329 109.5144 109.4551 110.4752 109.22 106.7288 111.3287 109.387 109.4902 109.342 110.4948 106.6813 111.1839 110.0859 109.1893 110.1765 109.1969 106.9025 125.0383 108.5371 126.3951 109.6064 106.5116 109.2928 112.0092 107.7046 111.6909 109.7848 109.748 110.5979 108.9653 108.5976 109.1146 122.9005 109.7505 127.3419 121.1163 116.3567 122.5254 121.5398 120.3869 118.0728 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 5 5 14 14 14 12 12 1 1 1 7 7 7 17 17 17 1 1 1 6 6 6 17 17 17 5 5 5 18 18 18 19 19 19 5 5 5 20 20 20 21 21 21 6 6 6 22 22 22 23 23 23 7 7 7 24 24 24 25 25 25 1 1 1 3 3 3 2 2 2 11 11 11 28 28 28 2 2 4 4 14 14 32 1 1 1 1 1 2 2 2 2 2 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 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 14 14 14 14 15 15 15 5 5 5 11 11 12 12 12 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 9 9 9 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 15 15 15 15 16 16 16 6 7 17 3 12 11 13 28 4 15 8 18 19 8 18 19 8 18 19 9 20 21 9 20 21 9 20 21 10 22 23 10 22 23 10 22 23 10 24 25 10 24 25 10 24 25 9 26 27 9 26 27 9 26 27 8 26 27 8 26 27 8 26 27 2 13 28 2 13 28 29 30 31 29 30 31 29 30 31 16 32 16 32 33 34 33 154.3604 -83.8659 35.1792 -2.4325 179.4415 70.3651 -168.2675 -47.4569 2.8869 -178.0171 176.6908 56.4362 -60.9839 57.0191 -63.2356 179.3444 -66.673 173.0724 55.6523 -175.1233 62.6615 -54.9364 -57.0604 -179.2756 63.1265 67.3878 -54.8274 -172.4253 -55.4083 -177.8763 65.44 64.2806 -58.1875 -174.8711 -177.2331 60.2988 -56.3848 55.4669 -65.4862 177.9402 177.1289 56.1758 -60.3978 -63.9974 175.0495 58.4759 55.1926 177.5759 -65.3561 177.1052 -60.5114 56.5566 -65.7935 56.5898 173.6578 -55.2896 -177.6205 65.2546 65.6899 -56.641 -173.7659 -177.1821 60.487 -56.6379 -166.0541 75.9504 -47.2458 15.8521 -102.1434 134.6604 59.455 179.1976 -60.3645 179.278 -60.9794 59.4585 -59.8053 59.9373 -179.6248 -179.0088 1.4365 0.0364 -179.5183 -179.6868 0.0464 -0.16 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0 208.12599999999992 AuxInfo=1/0/N:16,13,15,10,8,9,6,7,12,5,14,11,4,3,2,1/E:(5,6)(7,8)/CRV:1.3,3.3,11.3,12.3,13.1,14.1/rA:34OOO1O1CCCCCCC3CCC3C3C3HHHHHHHHHHHHHHHHHH/rB:;;;s1;s5;s5;s6;s7;s8s9;s1s3;s2s11;s12;s2s4;s14;s15;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s12;s13;s13;s13;s15;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 3.591169 0.000000 2.262910 2.763351 0.000000 4.246682 2.262711 3.612953 0.000000 1.480815 4.845960 2.744663 5.337259 0.000000 2.350902 5.904773 4.133350 6.513755 1.530449 0.000000 2.427421 5.365761 3.261628 5.215639 1.529852 2.558030 0.000000 3.733151 7.278940 5.192854 7.733199 2.509907 1.533705 2.972200 0.000000 3.782141 6.853442 4.537886 6.686116 2.511452 2.974211 1.533108 2.536570 0.000000 4.197396 7.645499 5.492999 7.658787 2.930462 2.535210 2.534748 1.535379 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0.94282 0.22709 0.11051 0.23510 1.17456 0.81399 0.81242 0.18792 0.87380 0.78730 0.82336 0.07556 0.08592 0.10963 1.17440 0.81412 0.76476 0.46791 0.85537 0.92197 0.84466 0.09420 0.09129 0.17296 1.17446 0.81422 0.76588 0.58239 0.88438 0.89703 0.82977 0.18368 0.13343 0.22495 0.51214 0.24018 0.51054 0.27447 0.51449 0.27304 0.51224 0.24758 0.51047 0.27595 0.51530 0.27821 0.51411 0.28741 0.51381 0.28427 0.51465 0.27701 0.51559 0.27804 0.51373 0.29307 0.50004 0.23369 0.51099 0.25199 0.50757 0.25388 0.50872 0.25439 0.50988 0.23266 0.51711 0.25177 0.51187 0.24192 -1.1210 1.3415 -0.1995 1.7596 -77.6497 -92.5475 -99.0179 -0.3712 2.4714 -1.7404 12.0887 -2.8092 -9.2795 -0.3712 2.4714 -1.7404 69.0385 22.1134 -8.3592 9.6961 -22.1296 25.4557 -5.2119 13.8164 0.2778 -8.9929 -5438.1453 -975.3719 -331.3249 -123.7046 160.2855 66.5491 47.4032 14.7156 47.5442 -1092.0470 -1049.7467 -225.6872 -17.9353 10.1556 45.8909 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 0 208.12599999999992 AuxInfo=1/0/N:16,13,15,10,8,9,6,7,12,5,14,11,4,3,2,1/E:(5,6)(7,8)/CRV:1.3,3.3,11.3,12.3,13.1,14.1/rA:34OOO1O1CCCCCCC3CCC3C3C3HHHHHHHHHHHHHHHHHH/rB:;;;s1;s5;s5;s6;s7;s8s9;s1s3;s2s11;s12;s2s4;s14;s15;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s12;s13;s13;s13;s15;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 3.658463 0.000000 2.340771 2.823419 0.000000 3.878283 2.339740 3.302919 0.000000 1.508148 4.921966 2.808853 4.854318 0.000000 2.437118 6.070664 4.212135 6.143472 1.533451 0.000000 2.484051 5.411327 3.351177 4.643093 1.538295 2.554391 0.000000 3.825419 7.406890 5.210925 7.291875 2.526713 1.550689 2.988197 0.000000 3.854438 6.875489 4.541491 6.080786 2.528431 2.987825 1.549883 2.554358 0.000000 4.319104 7.763137 5.534019 7.174157 2.959719 2.558929 2.557992 1.548157 1.547905 0.000000 1.389133 2.468116 1.248334 3.042508 2.470770 3.687899 3.202423 4.954457 4.603052 5.373275 0.000000 2.379402 1.479989 2.492256 2.745145 3.798848 4.761630 4.489551 6.186350 5.978240 6.654838 1.540011 0.000000 3.063271 2.415365 3.433359 4.224373 4.444303 5.055970 5.487624 6.541157 6.879000 7.312379 2.548606 1.533995 0.000000 4.179056 1.407718 3.182458 1.254611 5.278598 6.574006 5.366155 7.796790 6.808152 7.878309 3.044777 2.444684 3.715648 0.000000 5.574397 2.365174 4.197394 2.456209 6.601055 7.950024 6.655143 9.123306 8.018759 9.184425 4.334705 3.735580 4.760263 1.483551 0.000000 6.523906 3.642637 5.127272 2.951002 7.424749 8.829679 7.224201 9.906198 8.505130 9.777905 5.357721 4.904223 6.048581 2.475398 1.358059 0.000000 2.120789 4.981187 2.458665 5.167191 1.107786 2.192522 2.179396 2.841392 2.829407 3.402512 2.569835 4.042830 4.592226 5.405106 6.584950 7.437752 0.000000 2.625073 6.215433 4.755034 6.111916 2.161851 1.107679 2.815306 2.189039 3.390051 2.837579 4.005910 4.831345 5.156476 6.659640 8.103467 8.948625 3.092810 0.000000 2.680715 6.080662 4.376757 6.555967 2.175501 1.105925 3.507870 2.201441 3.990359 3.522854 3.811472 4.738695 4.694824 6.801802 8.140040 9.142542 2.505914 1.784409 0.000000 2.749881 4.909240 2.842330 3.936611 2.177693 3.504928 1.104511 3.988568 2.199755 3.520737 2.971303 4.261708 5.453549 4.665340 5.842602 6.310076 2.482183 3.813917 4.335019 0.000000 2.668593 5.555241 3.990706 4.555204 2.163906 2.812945 1.107761 3.387840 2.189448 2.835543 3.551083 4.555640 5.590242 5.436233 6.801695 7.323695 3.082304 2.619903 3.813660 1.786394 0.000000 4.616121 8.246258 6.195391 8.203209 3.485084 2.185193 3.989547 1.106426 3.516887 2.195299 5.832467 6.945201 7.145648 8.707920 10.068674 10.887310 3.847330 2.508499 2.537498 5.033801 4.208697 0.000000 4.182797 7.559619 5.131660 7.612652 2.810085 2.186776 3.407383 1.109587 2.838215 2.181507 5.102238 6.441478 6.736859 7.998453 9.232693 10.036983 2.673777 3.101389 2.513284 4.229556 4.076261 1.778233 0.000000 4.208426 7.012130 4.413681 6.401350 2.809905 3.405915 2.185130 2.839066 1.109510 2.182811 4.742905 6.229971 7.077726 6.988020 8.086451 8.585469 2.658465 4.077118 4.230464 2.509545 3.101012 3.850652 2.672604 0.000000 4.657630 7.419058 5.218367 6.295799 3.487448 3.989795 2.184041 3.516965 1.106250 2.195194 5.318272 6.627054 7.668803 7.153399 8.309167 8.630092 3.832025 4.212286 5.035917 2.536322 2.510459 4.363048 3.849081 1.777483 0.000000 5.377527 8.776756 6.419505 8.156927 3.960729 3.518516 3.518308 2.190693 2.191633 1.106925 6.375456 7.707729 8.349268 8.863618 10.124984 10.671861 4.224935 3.849052 4.365536 4.364551 3.848006 2.540683 2.497901 2.501256 2.541874 0.000000 4.499336 7.954238 6.017668 7.206331 3.380046 2.838561 2.836996 2.181026 2.180903 1.109476 5.667085 6.785497 7.470776 8.017335 9.383476 9.942688 4.086441 2.667497 3.850847 3.848689 2.664478 2.502912 3.093176 3.094182 2.503526 1.780547 0.000000 2.516326 2.119381 3.232922 2.534893 3.970847 4.816279 4.438772 6.264062 5.977847 6.594381 2.151142 1.104917 2.197016 2.633162 4.034559 5.042505 4.480615 4.639284 4.933003 4.288248 4.234702 6.966477 6.696448 6.414521 6.523502 7.683284 6.545506 0.000000 4.021552 2.648162 4.373985 4.520017 5.462400 6.024519 6.419636 7.540527 7.858654 8.284884 3.500089 2.171297 1.102796 3.911290 4.792919 6.075029 5.674066 6.003438 5.659890 6.352566 6.409196 8.097267 7.792047 8.111800 8.598932 9.342561 8.360986 2.534068 0.000000 2.790228 3.384103 3.829348 4.861705 4.091224 4.385922 5.270657 5.898820 6.582221 6.791217 2.801250 2.170834 1.102806 4.573159 5.744594 6.989461 4.364478 4.408692 3.915507 5.459820 5.309680 6.377613 6.171092 6.853887 7.433010 7.824870 6.895382 2.534352 1.795227 0.000000 3.515145 2.668142 3.335828 4.740020 4.695607 5.359866 5.843269 6.745386 7.134005 7.608938 2.802232 2.181905 1.103135 4.046839 4.881341 6.216277 4.580966 5.665992 4.887785 5.749082 6.136122 7.381385 6.761223 7.163921 7.981284 8.585158 7.914573 3.109936 1.791373 1.797171 0.000000 5.966991 2.469463 4.479055 3.371814 7.039670 8.341973 7.293715 9.553661 8.651904 9.764587 4.655487 3.948051 4.658836 2.200208 1.094589 2.154292 6.917603 8.563082 8.395883 6.530056 7.517306 10.477123 9.586683 8.641877 9.040607 10.705344 10.025592 4.439978 4.600771 5.724354 4.592476 0.000000 7.548783 4.509392 6.015412 4.044882 8.430934 9.852983 8.243648 10.910821 9.481419 10.787799 6.333345 5.860114 6.895541 3.482833 2.144410 1.094833 8.373721 10.008997 10.135614 7.298881 8.384720 11.905680 10.990187 9.499515 9.589678 11.656459 10.987429 6.059774 6.856555 7.886944 6.969421 2.519310 0.000000 6.441304 4.059566 5.238514 2.673273 7.248986 8.652092 6.836780 9.659859 8.073350 9.374758 5.420095 5.100900 6.408819 2.698855 2.133673 1.096340 7.364987 8.700153 9.088436 5.904156 6.844558 10.642916 9.863915 8.235521 8.076117 10.248290 9.468790 5.058755 6.502158 7.247767 6.701713 3.122111 1.878920 0.000000 1.0744662 0.2323262 0.2026771 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= 190 190 190 190 190 MxSgAt= 34 MxSgA2= 34. 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 34 34 34 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 34 34 34 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 34 34 34 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 34 34 34 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 34 34 34 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 34 34 34 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 34 34 34 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 34 34 34 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 34 34 34 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 34 34 34 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 34 34 34 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= 8778 NPrTT= 44346 LenC2= 7783 LenP2D= 25147. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 196 RedAO= T EigKep= 1.93D-03 NBF= 196 NBsUse= 196 1.00D-06 EigRej= -1.00D+00 NBFU= 196 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= 189 189 189 190 190 MxSgAt= 34 MxSgA2= 34. 1 Closed 1 0 1 -767.581913069189 -767.532793796899 0.049119272290 -767.839137415683 -0.306343618784 -767.880970927090 -0.041833511407 -767.982552514029 -0.101581586939 -767.985964818105 -0.003412304076 -767.986243671416 -0.000278853312 -767.986334419237 -0.000090747821 -767.986350141413 -0.000015722176 -767.986416232486 -0.000066091072 -767.986416041870 0.000000190616 -767.986416484666 -0.000000442796 -767.986416531630 -0.000000046964 -767.986416553552 -0.000000021922 -767.986416555197 -0.000000001645 -767.986416555212 -0.000000000015 -767.986416555211 0.000000000001 -767.986416555 17 7.650652965832e+02 -4.043253699305e+03 1.385942299159e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=190329277. IVT= 136218 IEndB= 136218 NGot= 939524096 MDV= 753017408 LenX= 753017408 LenY= 752978551 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= 19306 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. -4.41030146e-01 5.27804638e-01 -7.84941727e-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 8 8 8 8 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.000011338 0.011022088 -0.014222138 0.009665011 0.013360139 0.011331564 0.015938583 -0.032526890 0.059926278 -0.019808825 -0.050221506 -0.046415486 0.001861659 0.006021484 -0.006370025 -0.003260368 0.002773272 0.001857075 0.004324175 -0.007123819 0.003249924 -0.007910950 0.005712719 -0.000690067 -0.002924015 -0.008984163 0.000510602 -0.007001549 -0.002778622 -0.000014230 -0.007201857 0.023007903 -0.052024210 0.002056903 -0.003850299 -0.000458878 -0.005186146 0.014221368 -0.004566379 0.018405693 0.035264304 0.036779852 -0.011761438 0.015827149 0.002268468 0.018091368 -0.021504623 -0.001279508 -0.003338523 -0.002157911 -0.001871222 0.000406518 -0.003506682 0.001004691 0.001118853 -0.000080723 0.001776951 -0.000950069 0.001520796 0.000619561 -0.002155751 0.003489357 -0.000360522 -0.000443229 0.000535934 -0.000021030 0.000433813 -0.001065505 0.001533647 -0.000396346 0.001297548 0.001264148 0.000304260 -0.000471584 0.000025437 -0.000970368 -0.000334009 0.000480413 0.001409611 0.000443015 -0.001470330 -0.002794425 0.003818651 0.007461128 0.002573551 -0.000796016 -0.003102226 -0.001871418 -0.000272176 -0.001436658 -0.000283619 -0.002044922 0.003391950 0.001295969 -0.000910126 0.000223135 0.006319216 0.002346223 0.006348214 -0.005957625 -0.002032373 -0.005750130 0.059926278 0.013700714 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -768.000435127779 -768.000461010532 -0.000025882752 -768.000460936836 0.000000073696 -768.000461149059 -0.000000212223 -768.000461186002 -0.000000036944 -768.000461202019 -0.000000016016 -768.000461202581 -0.000000000562 -768.000461202562 0.000000000020 -768.000461202571 -0.000000000010 -768.000461203 9 7.642911251139e+02 -4.031657683701e+03 1.380700275406e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=190329277. IVT= 136218 IEndB= 136218 NGot= 939524096 MDV= 753017408 LenX= 753017408 LenY= 752978551 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= 19306 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. (Enter /mnt/data/applications/G09/g09/l716.exe) alpha 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O 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 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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 1 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|2 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|3 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|4 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|5 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|6 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|7 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|8 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|9 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|10 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|11 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|12 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|13 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|14 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|15 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|16 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|17 H 1S|2S|18 H 1S|2S|19 H 1S|2S|20 H 1S|2S|21 H 1S|2S|22 H 1S|2S|23 H 1S|2S|24 H 1S|2S|25 H 1S|2S|26 H 1S|2S|27 H 1S|2S|28 H 1S|2S|29 H 1S|2S|30 H 1S|2S|31 H 1S|2S|32 H 1S|2S|33 H 1S|2S|34 H 1S|2S 1.13240 0.85925 0.94778 0.91919 0.98566 1.22747 1.20144 0.16779 0.45257 0.39550 1.13243 0.85922 0.95171 0.91552 1.09176 1.07941 1.23792 0.31541 0.25166 0.43946 1.13254 0.85913 0.97768 0.85571 1.29756 1.03360 1.04386 0.43751 0.34523 0.23992 1.13253 0.85915 0.97673 0.85449 1.15746 1.18074 1.03698 0.34788 0.36206 0.33850 1.17450 0.81401 0.74763 0.55627 0.72606 0.88364 0.91736 -0.02776 0.03533 0.12872 1.17427 0.81420 0.72372 0.63450 0.85484 0.90327 0.91030 0.06878 0.17999 0.18282 1.17427 0.81422 0.72445 0.62811 0.89794 0.85475 0.91778 0.13493 0.09298 0.19069 1.17430 0.81427 0.72288 0.62608 0.87474 0.86972 0.90840 0.13575 0.08125 0.18930 1.17430 0.81426 0.72220 0.63346 0.84590 0.90413 0.90400 0.05258 0.16835 0.18222 1.17430 0.81429 0.72298 0.62800 0.89022 0.85652 0.90654 0.13451 0.07121 0.18991 1.17464 0.81394 0.80778 0.23670 0.84273 0.75976 0.83487 0.05780 0.13763 0.07555 1.17442 0.81397 0.74415 0.59556 0.72116 0.90449 0.93043 0.04629 0.04278 0.12701 1.17421 0.81429 0.72620 0.70349 0.94215 0.83648 0.94276 0.22068 0.11433 0.23144 1.17465 0.81400 0.81232 0.21727 0.88124 0.78331 0.77831 0.06197 0.06613 0.13261 1.17443 0.81414 0.76439 0.48320 0.85447 0.94273 0.80779 0.11117 0.05417 0.20442 1.17451 0.81424 0.76676 0.59433 0.89241 0.92718 0.76498 0.20043 0.10758 0.22973 0.51277 0.25556 0.51136 0.28074 0.51364 0.27563 0.51268 0.24299 0.51099 0.28441 0.51477 0.27873 0.51307 0.28929 0.51281 0.28749 0.51432 0.27726 0.51476 0.28143 0.51296 0.29511 0.50753 0.23230 0.50817 0.25352 0.50661 0.25958 0.50767 0.25513 0.51041 0.23655 0.51182 0.25982 0.50694 0.24668 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 O O O O C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H -0.289063 -0.274501 -0.222745 -0.246511 0.044252 -0.446698 -0.430121 -0.396676 -0.401405 -0.388485 0.258613 -0.100265 -0.706038 0.278188 -0.210903 -0.472151 0.231665 0.207900 0.210732 0.244338 0.204600 0.206507 0.197642 0.199694 0.208418 0.203818 0.191926 0.260178 0.238303 0.233813 0.237199 0.253040 0.228360 0.246380 0.00000 -3.83602978e-01 4.73037375e-01 -2.21040974e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -0.9750 1.2023 -0.5618 1.6468 -76.4653 -90.7551 -99.5595 -1.2073 1.2692 -2.3423 12.4613 -1.8285 -10.6329 -1.2073 1.2692 -2.3423 64.5609 13.9706 -12.1603 15.8370 -26.6899 20.4918 -3.9942 8.9299 0.2791 -9.7484 -5178.9401 -1127.5721 -309.1455 -149.7659 125.4867 18.7916 54.9962 -17.0349 59.7642 -1058.7409 -1001.6739 -250.2612 -20.2963 2.8643 30.2704 0 -768.0004612 5.249E-9 1.381E-5 9.2646988,-1.3594106,-7.9052882,-0.8976002,0.9436443,-1.7414431 C01 [X(C12H18O4)] -0.383603 0.4730374 -0.221041 @ 0.000034196 -0.000024263 0.000010016 0.000010752 -0.000008232 0.000000341 -0.000008189 0.000001897 -0.000011251 0.000001870 0.000007615 0.000009391 -0.000033073 0.000008082 0.000021759 0.000019806 -0.000001873 0.000001864 0.000009890 0.000013657 -0.000009084 -0.000003029 -0.000000110 0.000002819 0.000007043 0.000001889 0.000005551 -0.000001695 -0.000002361 -0.000009944 0.000011594 0.000013243 -0.000014375 -0.000076424 -0.000007897 0.000020417 0.000036007 -0.000013284 -0.000005135 0.000023762 0.000002202 -0.000015179 -0.000035793 0.000019126 0.000002963 0.000025023 -0.000023593 -0.000008180 -0.000000754 -0.000005919 -0.000006821 -0.000003463 0.000001036 -0.000001142 -0.000002563 -0.000007833 -0.000002756 0.000008275 0.000002010 -0.000007531 0.000003958 -0.000000128 -0.000001756 -0.000006991 -0.000006308 0.000005092 -0.000001512 -0.000004229 0.000001446 -0.000003345 -0.000003281 -0.000000570 -0.000004260 -0.000000620 0.000001053 0.000000844 -0.000003733 0.000000974 0.000001140 -0.000001743 0.000002888 0.000022729 0.000004554 -0.000004290 -0.000021821 0.000007103 -0.000002485 -0.000010207 0.000012397 0.000011805 0.000005591 -0.000000847 0.000001043 0.000002379 -0.000002340 0.000003172 -0.000004293 0.000012795 -0.000002140 -0.000007448 0.000010988 0.000000043 208.12599999999992 AuxInfo=1/0/N:16,13,15,10,8,9,6,7,12,5,14,11,4,3,2,1/E:(5,6)(7,8)/CRV:1.3,3.3,11.3,12.3,13.1,14.1/rA:34OOO1O1CCCCCCC3CCC3C3C3HHHHHHHHHHHHHHHHHH/rB:;;;s1;s5;s5;s6;s7;s8s9;s1s3;s2s11;s12;s2s4;s14;s15;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s12;s13;s13;s13;s15;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2019 CBGUSER 000251829 EM64L-G09RevD.01 8-Feb-2018 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 96 C1[X(C12H18O4)] RPBEPBE SDD Freq #pfreq=noraman PBEPBE/SDD 208.12599999999992 0 1 AuxInfo=1/0/N:16,13,15,10,8,9,6,7,12,5,14,11,4,3,2,1/E:(5,6)(7,8)/CRV:1.3,3.3,11.3,12.3,13.1,14.1/rA:34OOO1O1CCCCCCC3CCC3C3C3HHHHHHHHHHHHHHHHHH/rB:;;;s1;s5;s5;s6;s7;s8s9;s1s3;s2s11;s12;s2s4;s14;s15;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s12;s13;s13;s13;s15;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-12551.inp" -scrdir="/scratch/" chk=000251829-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 000251829 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 16 16 16 16 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 (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| 0.000212 0.000045 0.091947 0.029699 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -3.840728e-06 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 1118.6658008717 196 456 196 61 61 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 34 34 34 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 0 208.12599999999992 AuxInfo=1/0/N:16,13,15,10,8,9,6,7,12,5,14,11,4,3,2,1/E:(5,6)(7,8)/CRV:1.3,3.3,11.3,12.3,13.1,14.1/rA:34OOO1O1CCCCCCC3CCC3C3C3HHHHHHHHHHHHHHHHHH/rB:;;;s1;s5;s5;s6;s7;s8s9;s1s3;s2s11;s12;s2s4;s14;s15;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s12;s13;s13;s13;s15;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 3.658462 0.000000 2.340770 2.823418 0.000000 3.878283 2.339741 3.302918 0.000000 1.508149 4.921966 2.808853 4.854318 0.000000 2.437118 6.070663 4.212135 6.143472 1.533450 0.000000 2.484052 5.411327 3.351177 4.643093 1.538295 2.554391 0.000000 3.825420 7.406890 5.210925 7.291874 2.526712 1.550690 2.988197 0.000000 3.854438 6.875489 4.541491 6.080786 2.528431 2.987826 1.549883 2.554358 0.000000 4.319105 7.763137 5.534019 7.174157 2.959719 2.558930 2.557992 1.548157 1.547906 0.000000 1.389132 2.468116 1.248334 3.042509 2.470770 3.687899 3.202423 4.954457 4.603052 5.373275 0.000000 2.379401 1.479988 2.492255 2.745145 3.798848 4.761629 4.489551 6.186350 5.978240 6.654838 1.540011 0.000000 3.063271 2.415365 3.433360 4.224373 4.444304 5.055970 5.487625 6.541157 6.879001 7.312379 2.548607 1.533996 0.000000 4.179056 1.407718 3.182457 1.254611 5.278598 6.574006 5.366155 7.796790 6.808152 7.878309 3.044777 2.444684 3.715648 0.000000 5.574397 2.365174 4.197393 2.456210 6.601056 7.950024 6.655143 9.123306 8.018760 9.184426 4.334705 3.735580 4.760263 1.483551 0.000000 6.523905 3.642637 5.127271 2.951002 7.424749 8.829679 7.224201 9.906198 8.505130 9.777905 5.357721 4.904223 6.048582 2.475399 1.358059 0.000000 2.120789 4.981186 2.458665 5.167191 1.107786 2.192522 2.179395 2.841393 2.829408 3.402512 2.569834 4.042829 4.592226 5.405106 6.584950 7.437752 0.000000 2.625073 6.215433 4.755034 6.111916 2.161851 1.107679 2.815306 2.189039 3.390052 2.837580 4.005910 4.831345 5.156477 6.659640 8.103467 8.948625 3.092810 0.000000 2.680715 6.080661 4.376757 6.555967 2.175501 1.105924 3.507870 2.201441 3.990359 3.522854 3.811472 4.738695 4.694824 6.801802 8.140040 9.142542 2.505914 1.784409 0.000000 2.749882 4.909240 2.842330 3.936611 2.177693 3.504929 1.104511 3.988569 2.199755 3.520738 2.971303 4.261707 5.453549 4.665339 5.842602 6.310075 2.482184 3.813918 4.335019 0.000000 2.668593 5.555241 3.990706 4.555204 2.163905 2.812944 1.107761 3.387839 2.189448 2.835543 3.551082 4.555639 5.590243 5.436233 6.801695 7.323695 3.082304 2.619903 3.813659 1.786395 0.000000 4.616121 8.246258 6.195391 8.203209 3.485083 2.185193 3.989546 1.106425 3.516887 2.195298 5.832466 6.945201 7.145648 8.707920 10.068674 10.887309 3.847330 2.508499 2.537497 5.033801 4.208696 0.000000 4.182797 7.559618 5.131661 7.612652 2.810084 2.186776 3.407382 1.109587 2.838216 2.181507 5.102237 6.441477 6.736859 7.998452 9.232693 10.036983 2.673777 3.101388 2.513283 4.229556 4.076260 1.778232 0.000000 4.208426 7.012130 4.413681 6.401349 2.809904 3.405915 2.185129 2.839065 1.109510 2.182811 4.742904 6.229971 7.077726 6.988019 8.086451 8.585468 2.658464 4.077118 4.230463 2.509545 3.101011 3.850651 2.672604 0.000000 4.657631 7.419058 5.218367 6.295799 3.487449 3.989796 2.184041 3.516965 1.106250 2.195195 5.318273 6.627054 7.668804 7.153399 8.309168 8.630092 3.832026 4.212287 5.035917 2.536323 2.510460 4.363048 3.849082 1.777483 0.000000 5.377527 8.776756 6.419506 8.156928 3.960729 3.518517 3.518308 2.190693 2.191633 1.106924 6.375456 7.707729 8.349269 8.863618 10.124985 10.671861 4.224935 3.849052 4.365536 4.364552 3.848006 2.540683 2.497901 2.501256 2.541875 0.000000 4.499336 7.954237 6.017668 7.206331 3.380046 2.838561 2.836996 2.181026 2.180903 1.109477 5.667084 6.785497 7.470776 8.017335 9.383476 9.942688 4.086441 2.667497 3.850846 3.848689 2.664478 2.502912 3.093176 3.094182 2.503526 1.780547 0.000000 2.516326 2.119381 3.232921 2.534893 3.970847 4.816279 4.438772 6.264062 5.977848 6.594382 2.151142 1.104917 2.197016 2.633162 4.034560 5.042506 4.480615 4.639284 4.933003 4.288249 4.234703 6.966476 6.696448 6.414521 6.523503 7.683284 6.545506 0.000000 4.021551 2.648162 4.373984 4.520017 5.462400 6.024518 6.419636 7.540527 7.858653 8.284884 3.500089 2.171297 1.102795 3.911289 4.792918 6.075029 5.674066 6.003438 5.659890 6.352566 6.409195 8.097267 7.792047 8.111799 8.598932 9.342560 8.360986 2.534068 0.000000 2.790227 3.384103 3.829348 4.861704 4.091225 4.385922 5.270658 5.898821 6.582222 6.791218 2.801250 2.170834 1.102806 4.573158 5.744594 6.989461 4.364478 4.408692 3.915508 5.459821 5.309680 6.377613 6.171092 6.853887 7.433011 7.824870 6.895382 2.534352 1.795226 0.000000 3.515144 2.668141 3.335828 4.740020 4.695607 5.359865 5.843268 6.745386 7.134005 7.608938 2.802231 2.181905 1.103135 4.046839 4.881341 6.216278 4.580965 5.665992 4.887785 5.749082 6.136121 7.381384 6.761223 7.163921 7.981284 8.585158 7.914572 3.109936 1.791373 1.797171 0.000000 5.966991 2.469464 4.479054 3.371814 7.039671 8.341972 7.293716 9.553661 8.651904 9.764588 4.655488 3.948051 4.658836 2.200209 1.094589 2.154292 6.917603 8.563082 8.395883 6.530056 7.517306 10.477123 9.586683 8.641877 9.040607 10.705344 10.025592 4.439979 4.600770 5.724354 4.592476 0.000000 7.548782 4.509392 6.015411 4.044882 8.430934 9.852982 8.243648 10.910821 9.481419 10.787799 6.333345 5.860114 6.895541 3.482833 2.144410 1.094833 8.373720 10.008997 10.135613 7.298881 8.384721 11.905679 10.990187 9.499515 9.589678 11.656459 10.987429 6.059775 6.856555 7.886944 6.969421 2.519310 0.000000 6.441304 4.059566 5.238513 2.673273 7.248986 8.652092 6.836780 9.659859 8.073350 9.374759 5.420095 5.100900 6.408819 2.698855 2.133673 1.096340 7.364987 8.700153 9.088436 5.904156 6.844558 10.642915 9.863915 8.235521 8.076118 10.248290 9.468789 5.058756 6.502157 7.247767 6.701713 3.122111 1.878920 0.000000 C12H18O4 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 0 208.12599999999992 AuxInfo=1/0/N:16,13,15,10,8,9,6,7,12,5,14,11,4,3,2,1/E:(5,6)(7,8)/CRV:1.3,3.3,11.3,12.3,13.1,14.1/rA:34OOO1O1CCCCCCC3CCC3C3C3HHHHHHHHHHHHHHHHHH/rB:;;;s1;s5;s5;s6;s7;s8s9;s1s3;s2s11;s12;s2s4;s14;s15;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s12;s13;s13;s13;s15;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 1.0744660 0.2323262 0.2026771 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= 8778 NPrTT= 44346 LenC2= 7783 LenP2D= 25147. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 196 RedAO= T EigKep= 1.93D-03 NBF= 196 NBsUse= 196 1.00D-06 EigRej= -1.00D+00 NBFU= 196 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= 189 189 190 190 190 MxSgAt= 34 MxSgA2= 34. 1 Closed 1 0 1 -767.599300300455 -767.466195530279 0.133104770176 -767.817638336858 -0.351442806579 -767.855336784108 -0.037698447250 -767.992352197782 -0.137015413674 -767.999611119077 -0.007258921295 -768.000031602428 -0.000420483350 -768.000284614091 -0.000253011663 -768.000309614275 -0.000025000184 -768.000462877796 -0.000153263521 -768.000460859897 0.000002017898 -768.000463457460 -0.000002597563 -768.000463392267 0.000000065193 -768.000463485552 -0.000000093284 -768.000463488620 -0.000000003068 -768.000463488689 -0.000000000070 -768.000463488726 -0.000000000036 -768.000463488742 -0.000000000017 -768.000463489 18 7.642911185416e+02 -4.031657764633e+03 1.380700381731e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep J ints in memory in canonical form, NReq=190329605. IVT= 136546 IEndB= 136546 NGot= 939524096 MDV= 753017080 LenX= 753017080 LenY= 752978223 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= 19306 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= 34. Will process 35 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=1111111111111111111111111111111111 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= 939523556 using IRadAn= 2. Generate precomputed XC quadrature information. Keep J ints in memory in canonical form, NReq=190203074. 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= 19306 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Solving linear equations simultaneously, MaxMat= 0. There are 105 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 102 vectors produced by pass 0 Test12= 8.24D-15 1.00D-09 XBig12= 1.76D+02 6.75D+00. AX will form 102 AO Fock derivatives at one time. 102 vectors produced by pass 1 Test12= 8.24D-15 1.00D-09 XBig12= 9.02D+01 2.52D+00. 102 vectors produced by pass 2 Test12= 8.24D-15 1.00D-09 XBig12= 2.06D-01 5.68D-02. 102 vectors produced by pass 3 Test12= 8.24D-15 1.00D-09 XBig12= 8.77D-05 9.25D-04. 57 vectors produced by pass 4 Test12= 8.24D-15 1.00D-09 XBig12= 1.40D-08 1.23D-05. 4 vectors produced by pass 5 Test12= 8.24D-15 1.00D-09 XBig12= 1.64D-12 1.13D-07. 1 vectors produced by pass 6 Test12= 8.24D-15 1.00D-09 XBig12= 4.04D-16 1.55D-09. InvSVY: IOpt=1 It= 1 EMax= 1.60D-14 Solved reduced A of dimension 470 with 105 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 142.10 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 177.320 -14.608 144.710 8.701 1.149 104.276 242.791 -27.403 248.641 27.538 3.418 203.401 (Enter /mnt/data/applications/G09/g09/l716.exe) PT1891.600S Thu Feb 8 14:48:48 2018 -18.80777 -18.80375 -18.76149 -18.75978 -10.02887 -10.02842 -9.97764 -9.95654 -9.92603 -9.92167 -9.90173 -9.89805 -9.89793 -9.89483 -9.89342 -9.89224 -1.01415 -1.00088 -0.93396 -0.92830 -0.76002 -0.73600 -0.71192 -0.67643 -0.67323 -0.61221 -0.59447 -0.55420 -0.54708 -0.51368 -0.50125 -0.48514 -0.46690 -0.46255 -0.43120 -0.41858 -0.40486 -0.40186 -0.39449 -0.39294 -0.38926 -0.37361 -0.36662 -0.35715 -0.35396 -0.35103 -0.34024 -0.33697 -0.33213 -0.32195 -0.30652 -0.30360 -0.29494 -0.28202 -0.27703 -0.27325 -0.26348 -0.25478 -0.24774 -0.23154 -0.22599 -0.09236 -0.04658 0.02255 0.04160 0.06672 0.08901 0.10133 0.10362 0.10634 0.11027 0.11510 0.11813 0.12470 0.12695 0.12967 0.14148 0.14268 0.15698 0.16427 0.17089 0.17500 0.18089 0.18467 0.18733 0.19151 0.19875 0.20032 0.20819 0.21070 0.21431 0.21673 0.22026 0.22660 0.24028 0.24639 0.25881 0.26965 0.27205 0.27538 0.29136 0.29209 0.30065 0.30638 0.30806 0.33022 0.33905 0.34822 0.35158 0.35561 0.36342 0.36710 0.37108 0.38356 0.39131 0.40775 0.41399 0.42190 0.43432 0.44295 0.44858 0.46470 0.46966 0.47532 0.48819 0.49709 0.51506 0.52240 0.53349 0.55124 0.55936 0.58090 0.63868 0.66363 0.68522 0.69687 0.70481 0.72146 0.74269 0.77057 0.81598 0.83305 0.84653 0.84800 0.87097 0.87271 0.88915 0.91781 0.92326 0.93694 0.95755 0.96485 0.97156 0.98175 0.99494 1.02729 1.05321 1.06782 1.07967 1.09480 1.10703 1.11012 1.11177 1.14048 1.14956 1.17031 1.17541 1.18947 1.21218 1.21767 1.26018 1.29958 1.34580 1.37988 1.39256 1.44099 1.67870 1.70864 1.77927 1.80254 22.30927 22.40237 22.45979 22.50061 22.56526 22.57207 22.59943 22.62767 22.65165 22.66314 22.66389 22.68171 41.52289 41.53309 41.55547 41.56191 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 O O O O C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H -0.289112 -0.274518 -0.222796 -0.246512 0.044231 -0.446896 -0.430001 -0.396532 -0.401556 -0.388459 0.258764 -0.100173 -0.706084 0.278193 -0.210929 -0.472101 0.231599 0.207959 0.210768 0.244341 0.204609 0.206488 0.197633 0.199732 0.208444 0.203801 0.191899 0.260168 0.238303 0.233807 0.237202 0.253021 0.228350 0.246356 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 O O O O C C C C C C C C C C C C -0.289112 -0.274518 -0.222796 -0.246512 0.275830 -0.028169 0.018950 0.007589 0.006620 0.007240 0.258764 0.159995 0.003229 0.278193 0.042092 0.002604 0.00000 -3.92989103e-01 4.89558018e-01 -1.60353405e-01 1.77319824e+02 -1.46081136e+01 1.44709656e+02 8.70075879e+00 1.14876858e+00 1.04276176e+02 -16.3290 -5.0620 -0.0010 -0.0008 -0.0003 10.5844 13.5189 32.3082 49.1167 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 10.1977 32.0423 49.0960 63.2357 80.5187 84.5499 124.5144 144.7290 181.2222 197.2075 215.4174 220.9248 228.4257 296.8077 309.7902 327.0020 334.3910 374.6535 425.2225 433.2730 452.4720 498.0341 505.3309 577.7569 642.5539 661.6786 701.0846 779.2470 785.3713 789.3685 813.7083 828.2626 847.2925 876.9468 895.0936 903.7765 922.8780 932.4641 993.8533 996.9869 1004.1787 1030.5394 1044.8112 1052.9208 1062.3923 1076.4782 1083.9482 1109.2564 1114.7346 1127.1241 1152.0431 1153.7885 1200.1277 1240.4240 1254.0356 1260.8001 1276.3829 1292.3455 1299.6940 1309.8100 1320.4528 1331.8199 1336.8510 1339.2466 1349.9259 1362.5576 1389.3413 1411.4152 1462.7819 1464.8356 1465.5624 1465.7298 1473.0464 1476.7531 1481.3394 1627.2633 1642.4105 1650.5786 2971.5202 2972.4931 2974.3899 2988.1958 2992.0494 3004.3143 3010.0131 3035.1895 3037.4395 3039.9359 3045.8507 3056.2294 3068.2626 3104.3368 3109.0795 3113.5702 3161.0335 3220.2257 3.6385 4.3450 5.3562 4.0560 4.2350 6.3193 3.4083 3.0220 2.9233 3.2959 1.6937 1.3324 3.0954 3.9017 3.9118 2.3327 4.0144 4.5751 3.8566 2.9781 2.3738 2.0537 1.9049 3.1046 4.9235 4.6732 4.3001 3.3685 2.1664 1.5727 3.0504 3.3732 2.6883 1.7961 1.7541 2.8295 1.8111 3.0102 1.3949 2.7183 1.0839 2.0101 1.8298 1.1051 1.6146 2.4645 1.3204 2.7155 3.1649 2.8920 2.3712 2.7223 1.5114 1.3056 1.2785 1.3016 1.3646 1.4379 1.2563 1.3120 1.3857 1.3526 1.5155 1.4727 1.5553 1.4838 1.2156 1.2185 1.0859 1.0894 1.0759 1.0619 1.0827 1.0530 1.0976 11.6116 4.6309 10.6877 1.0663 1.0611 1.0628 1.0615 1.0648 1.0348 1.0824 1.0956 1.0982 1.0846 1.1010 1.1025 1.1023 1.0600 1.1011 1.1004 1.0958 1.1157 0.0002 0.0026 0.0076 0.0096 0.0162 0.0266 0.0311 0.0373 0.0566 0.0755 0.0463 0.0383 0.0952 0.2025 0.2212 0.1470 0.2645 0.3784 0.4109 0.3294 0.2863 0.3001 0.2866 0.6106 1.1977 1.2055 1.2453 1.2051 0.7873 0.5774 1.1900 1.3634 1.1371 0.8138 0.8280 1.3617 0.9088 1.5421 0.8118 1.5920 0.6440 1.2578 1.1769 0.7218 1.0737 1.6826 0.9140 1.9687 2.3172 2.1647 1.8542 2.1352 1.2825 1.1836 1.1846 1.2190 1.3098 1.4149 1.2504 1.3262 1.4235 1.4136 1.5958 1.5563 1.6699 1.6231 1.3824 1.4302 1.3690 1.3773 1.3616 1.3442 1.3842 1.3530 1.4191 18.1159 7.3599 17.1557 5.5472 5.5238 5.5397 5.5847 5.6163 5.5031 5.7779 5.9469 5.9697 5.9054 6.0183 6.0675 6.1144 6.0188 6.2709 6.2851 6.4513 6.8167 0.6084 0.8160 4.4301 0.2450 0.8258 2.3287 0.4609 2.4923 2.0997 0.9374 0.6169 0.2714 6.0860 2.8859 3.3649 1.7966 6.3816 20.9896 2.3616 0.5867 2.3003 0.2108 0.4814 1.2481 6.0253 5.9090 1.2591 30.2088 0.8366 0.2776 5.3377 7.6176 8.2914 2.7983 20.5954 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